Poster Session II

Riverside Center East

Monday, July 19




Combining Spectroscopy, Calculations, and Crystallography for Solving Chemical Problems

P178
(W0056)
On Desymmetrization and Relativistic Contraction in 4d Atoms.
Boris Udovic.

P181
(W0121)
Structure Details of Polymorphism in Organic Light Emitting Diode, OLED, Material, Alq3.
Manju Rajeswaran, Thomas Blanton.

PPX182
(W0140)
Polymorphism, Hydration and Metal - Metal Contacts in a Luminescent Platinum Dicarbene.
Jay Stork, Marilyn Olmstead, Alan Balch.


Computational Methods

P010
(W0149)
Automated Data Processing at SGX-CAT.
John Badger, Jon Christopher, Thomas Peat, Wasserman Stephen.

P012
(W0289)
Application Programming with Crystallographic Concept/Protocol Libraries (CCL/CPL).
Zhong Ren, Xiaojing Yang, Wayne Anderson.

P014
(E0009)
Automation for Solving Protein Structures.
Graeme Winter, C.C. Ballard, P.J. Briggs.

P016
(W0319)
Phasing of Isomorphous Replacement Data Based on a Subset of Strongest Reflections.
Yanina Vekhter.

P018
(W0345)
SGXPRO: A Versatile Structure Solving Engine for Structural Biology/Genomics.
Bi-Cheng Wang, Fu Zheng-Qing, Wu Yunzhou, Che Dongsheng, Zhao Jizhen, Yan Haijin, Rose John.

P019
(W0356)
A High- Throughput Pipeline for Protein-ligand Complex Crystal Structure Determination.
Jian Xu, Zeljko Dzakula, Dan Berard.


Crystallographic Laboratory Practices

P164
(W0179)
Optimizing Refined Molecular Fragments in a Cell.
Douglas Powell.


Crystals in Supramolecular Chemistry

P227
(W0058)
Lattice Interpenetration and Other Adventures in Network Solids with NC-M-CN Rungs (M = Ag, N).
Urs Geiser, John A. Schlueter.

P229
(W0090)
Polymorphism in Tris (5- acetyl- 3-thienyl) methane (TATM) Inclusion Compounds with 1,3- dichloropropane Guest.
Gary Enright, Paul Sidhu, John Ripmeester.

P230
(W0110)
Crystallographic and Theoretical Studies On The Role Of Halogen-Halide Synthons In The Structures Of (nYP)X, (nYP)2CuX4 and Cu(nYP)2X2.
Firas Awwadi, Roger Willett, Kirk Peterson, Brendan Twamley.

P235
(W0372)
Ferrocenylbenzoyl thienyl/thiazolyl esters.
John F. Gallagher, Steven A. Alley, Vincent M. Hooper, Peter T. M. Kenny, Alan J. Lough.

PP222
(W0012)
Are We Compatible For Each Other...What If Hydrogen Bonds Could Talk?
Nate Schultheiss, Christer Aakeroy, John Desper.

PP223
(W0015)
Amide-amide Hydrogen Bonds and Flexible Ligands as Linkers for Deliberate Supramolecular Inorganic- organic Frameworks.
Joaquin Urbina, Christer Aakeröy, John Desper.

PP224
(W0040)
N-Substitued Pyrazoles - LEGO for chemists?
Benjamin Scott, Christer Aäkeroy, John Desper.

PP225
(W0051)
Supramolecular Reagents for One-pot Assembly of Quaternary Molecular Architectures.
Debra Salmon, Christer Aakeröy, John Desper.

PP226
(W0053)
Supermolecules a Quarte.
Brock Levin, Christer Aakeroy, John Desper.

PPX228
(W0064)
If There was a Fourth Little Pig He Would have Built His House Out of These...
Michelle Smith, Christer Aakeroy, John Desper.

PPX231
(W0127)
Low Temperature Investigation of Gas Molecules in a Porous Metal-Organic Framework.
Jesse L. C. Rowsell, Elinor C. Spencer, Garry J. McIntyre, Juergen Eckert, Judith A. K. Howard, Omar M. Yaghi.

PPX232
(W0263)
Structure of Supramolecular Synthons Based on Propargylic Alcohol Derivatives.
Marilise A. Hyacinth, Michal Sabat, Ge Gao, Lin Pu.

PPX233
(W0303)
Self-assemble of Hydrogen- bonding and Pi-stacking Polymers for Transitions Metals Complexes.
Janaina Ferreira, Regina Santos, Adelino Neto, Mauro Eduardo.


Difficult Structures

P025
(W0330)
The Challenging Structure Determination of Tomato Fruit Polygalacturonase: Space Group Ambiguity Arising from Pseudo- symmetry.
Susan Heffron, Stephan Watkins, Rhonda Moeller, Aise Huma Taban, Rafal Butowt, Dean DellaPenna, Frances Jurnak.

P027
(W0290)
MCSG Case Study - A Difficult Structure Determination for yFCE, a Predicted Phosphoesterase from E.coli.
Darcie Miller, Ludmilla Shuvalova, Elena Evdokimova, Alexei Savchenko, Alexander Yakunin, Wayne Anderson.

P030
(W0055)
Protein Crystallization by Surface Entropy Reduction: Novel Crystal Structures Showcase its Utility.
Yogesh Surendranath, Izabela Janda, Yancho Devedjiev, Urszula Derewenda, Maksymilian Chruszcz, Wladek Minor, Andrzej Joachimiak, Zygmunt Derewenda.


Fankuchen Award

P259
(W0427)
A Microfluidic System for Screening Protein Crystallization Conditions inside Nanoliter Droplets with On-Chip X-Ray Diffraction.
Bo Zhengrustem Rustem Ismagilov, L. Spencer Roach, Josh Tice, Cory J. Gerdts, Delai Chen.


General Interest I

P198
(W0228)
Cyclic Voltammetry Influence on the Crystallization Process of Ferritin for Atomic Force Microscopy and X-ray Diffraction.
Margarita Rivera, Abel Moreno.


General Interest II: Cool Structures

P277
(W0070)
Intercalation Compounds of the g-zirconium Phosphate: X-ray Characterization.
Carla Ferragina, Romolo Di Rocco, Lucantonio Petrilli.


Macromolecular Assemblies

P280
(W0439)
The Structure and Function of Xenopus NO38-core, a Histone Chaperone in the Nucleolus.
Variketta Namboodiri Ildiko Akey Marion Scmidt-Zachmann James Head Christopher Akey

P281
(W0440)
Structure and Thermodynamic Analysis of the Interaction between Epstein-Barr Virus IL-10 and IL-10R1.
Sung Il Yoon Brandi Jones Naomi Logsdon Mark Walter


New Structures

P072
(E0032)
A Thiamin-Bound, Pre- decarboxylation, Reaction Intermediate Analogue for Pyruvate in the Pyruvate Dehydrogenaase Multi-enzyme Complex E1 Component.
P. Arjunan, A. Brunskill, W. Furey, N. Nemeria, F. Jordan.

P074
(W0123)
The Receptor Binding Site Architecture of Type IV Pilins Suggests a Mechanism for Conserved Receptor Specificity Despite High Sequence Diversity.
Gerald Audette, Randy Irvin, Bart Hazes.

P096
(W0081)
The Structure of a CH2-Deleted Humanized Antibody.
Steven Larson, John Day, Alexander McPherson, Scott Glaser, Gary Braslawsky.

P098
(W0422)
Crystal Structure of the Heterodimerization Complex Between Pals1-L27n Domain and Patj L27 Domain.
Yuanhe Li, David Karnak, Ben Margolis, Arnon Lavie.

P100
(W0009)
Structure of Phosphoglycerate Mutase from M. Tuberculosis New Features.
Peter Müller, Mike Sawaya, Sum Chan, Yim Wu, Inna Pashkova, Jeanne Perry, David Eisenberg.

P106
(E0025)
The First Reported Crystal Structure of a Plant 5- enolpyruvylshikimate 3-phosphate Synthase (EPSPS)-Petunia EPSPS.
T.J. Rydel, N. Leimgruber, H.S. Shieh, R.A. Stegeman, W.C. Stallings. G.S. Bild J.R. Borgmeyer Q.K. Huynh

P113
(W0366)
The Structure of the Angiogenesis Inhibitor Angiostatin Bound to a Peptide from the Group A Streptococcal Surface Protein PAM.
Sara Weaver, James Geiger.

PP069
(W0417)
Decoding the Phenazine Biosynthesis Pathway: Structural Characterization of the Proteins PhzA & G from Pseudomonas fluorescens 2-79.
Ekta Ahuja, Dimitri Mavrodi, Linda Thomashow, Wulf Blankenfeldt.

PP088
(W0275)
Unique Zinc Coordination by the C-terminal Domain of SecA.
Brian Dempsey, Mark Wrona, Jana Moulin, Greg Gloor, Faridehj Jalilehvand, Gilles Lajoie, Gary Shaw, Brian Shilton.

PP109
(W0292)
Structure of PITPbeta in Complex with Phosphatiylcholine: Comparison to Other PITP Isoforms.
Paul B. Vordtriede, Chuong Doan, Jacque Tremblay, Lynwood R. Yarbrough, Marilyn D. Yoder.

PP122
(W0259)
Structure of E. coli AMP Nucleosidase Reveals Similarity to Nucleoside Phosphorylases.
Yang Zhang, Sarah E. Cottet, Steven E. Ealick.

PP268
(W0433)
Structure of the Thiazole Synthase/ThiS Complex, an Essential Component of Thiamin Biosynthesis in Bacillus subtilis.
Ethan Settembre, Pieter Dorrestein, Huili Zhai, Abhishek Chatterjee, Fred McLafferty, Tadhg Begley, Steven Ealick.

PPX078
(W0097)
Structure of the Group B streptococcus Surface Protein C5a Peptidase.
C. Kent Brown, Zu-yi Gu, Yury Matsuka, P. Patrick Cleary, Stephen Olmstead, Douglas H. Ohlendorf, Cathleen A. Earhart.

PPX081
(W0154)
Purification and Crystallization of the Periplasmic Tripeptide Binding Protein MppA from E. coli.
Forum Bhatt, Vishal Patel, Constance Jeffery.

PPX086
(W0183)
Crystal Structure of a Biologically Active Peptide Complexed with G-Protein Beta:Gamma Subunits.
Tara Davis, Tabetha Bonacci, Alan Smrcka, Stephen Sprang.

PPX094
(W0279)
Crystal Structure of 2,3- Dihydroxybiphenyl 1,2- Dioxygenase from Rhodococcus globerulus P6 and Its Implications.
Mustafa Koksal, Amparo Haro, Lindsay D. Eltis, Jeffrey T. Bolin.

PPX102
(W0100)
Regulation of Nitrogen Metabolism in Bacillus subtilis: X-ray Crystal Structure of Glutamine Synthetase.
David Murray, Lewis Wray, Jr., Susan Fisher, Richard Brennan.

PPX104
(W0355)
Activation Mechanism and NAD-Binding Mode of Cholera Toxin are Revealed by Structural Studies of a Y30S Variant.
Claire O'Neal, Edward Amaya, Michael Jobling, Randall Holmes, Wim Hol.

PPX115
(W0206)
Crystal Structure of Human DJ-1, a Protein Associated with Early-onset Parkinson's Disease.
Xiao Tao, Liang Tong.

PPX124
(W0096)
Crystal Structure of Aminoimidazole Riboside Kinase from Salmonella enterica.
Yan Zhang, Diana Downs, Steve Ealick.

PPX270
(W0434)
Domain Organization of Salmonella typhimurium Formylglycinamide Ribonucleotide Amidotransferase Revealed by X-ray Crystallography.
Ruchi Anand, Steve Ealick, Joanne Stubbe, Aaron Hoskins.

PX084
(E0029)
Crystal Structure of the p115RhoGEF rgRGS Domain in Complex with Ga13:Gai1 Chimera: A Novel G Protein GAP Mechanism.
Zhe Chen, William D. Singer, Paul C. Sternweis, Stephen R. Sprang.

PX092
(W0195)
Crystal Structure of the Toll/interleukin- 1 Receptor (TIR) Domain of Human IL-1RAPL.
Javed Khan, Elizabeth Brint, Luke O'Neill, Liang Tong.

PX119
(W0062)
RIa Subunit of PKA: A cAMP-free Structure Reveals a Hydrophobic Capping Mechanism for Docking cAMP into Site B.
Jian Wu, Simon Brown, Nguyen-Huu Xuong, Susan Taylor.

PX262
(W0430)
Structural Studies of the SV5 Hemaglutinin- Neuaminidase (HN) Tetramer.
Ping Yuan Tom Thompson Reay G. Paterson Robert A. Lamb Theodore Jardetzky

PX271
(W0435)
Structural and Functional Analysis of the Drosophila Pattern- recognition Receptor PGRP-SA.
Chung-I Chang, Sébastien Pili-Floury, Mireille Hervé, Claudine Parquet, Yogarany Chelliah, Bruno Lemaitre, Dominique Mengin-Lecreulx, Johann Deisenhofer.

PX274
(W0437)
Crystal Structure of HLA-A2 in Complex with Melanoma Related gp100_209 and gp100_209-T2M Peptides at 1.8 Å Resolution.
Oleg Borbulevych Tiffany Baxter Brian Baker


Non-routine Refinement of Small Molecules

P184
(W0273)
Rapid Charge Density Data Collection.
Damon Parrish, J. Deschamps, A. Coop, L. Thatcher, H. Wu, J. Ferrara, L. Daniels.


Other: BIOLOGICAL MACROMOLECULES

P006
(E0075)
Structure Solution for SF-1 By Combined SAD Phasing from the Sulfur Anomalous Signal with Molecular Replacement.
Kevin P. Madauss, C. Yang, D. Juzumiene, S. Williams, J.D. Ferrara.

P022
(E0010)
Preliminary Structural Studies of MauG, a Novel di-heme Protien Involved in Tryptophan Tryptophylquinone (TTQ) Biogenesis.
A.R. Pearson, Y. Wang, M.E. Graichen, T. De La Mora-Rey, A. Liu, V.L. Davidson, C.M. Wilmot.

P033
(W0049)
Proton Transfer in Human Carbonic Anhydrase II: Effects of pH and Position of the Proton Shuttle Residue on the Transfer Rate.
Suzanne Fisher, Jose Hernandez, Chingkuang Tu, David Duda, Craig Yoshioka, Haiqian An, Lakshmanan Govindasamy, David Silverman, Robert McKenna.

P039
(W0167)
The SECSG Protein- to- Structure Pipeline: Potential and Limitations.
John Rose, Zhi-Jie Liu, Dawei Lin, Wolfram Tempel, Lirong Chen, Gary Newton, Jane Richardson, Dave Richardson, Joseph Ng, Bi-Cheng Wang.

P045
(W0325)
MicroMounts: A New Approach to Crystal Handling and Mounting.
Robert Thorne, Zachary Stum, Jan Kmetko, Adam Bartnik.

P051
(W0019)
Low birefringence Plates for Crystal Scoring with Polarized Light.
Ulrike Honisch, Guenther Knebel.

P063
(W0231)
Cell Wall Biosynthesis, Folate Retention and Motility: Diverse Roles for a Common Enzyme Scaffold.
Clyde Smith, Taru Deva, Edward Baker.

P275
(E0088)
New Crystal Forms of the Catalytic Trimer of Methanococcus jannashii Aspartate Transcarbamoylase.
Jacqueline Vitali Michael Colaneri Evan Kantrowtiz

PP007
(W0242)
PyrR- Evolution of an RNA-binding Transcriptional Attenuation Protein.
Preethi Chander, R. L. Switzer, J. L. Smith.

PP126
(W0114)
Crystallographic Screen for DNA Holliday Junctions.
Franklin Hays, Amy Teegarden, Zebulon Jones, Dustin Raap, P. Shing Ho.

PP129
(W0291)
Structure Determination of the ATP Synthase Peripheral Stalk.
Paul A. Del Rizzo, Brian H. Shilton, Stanley D. Dunn.

PP133
(W0270)
Structural Studies of Pyruvoyl- Dependent Arginine Decarboxylase from Methanococcus jannaschii.
Erika Soriano, Steve Ealick.

PP155
(W0164)
The Crystal Structure of Rabbit Phosphoglucose Isomerase Complexed with an Analogue of the Open Chain Form of G6P, D- sorbitol- 6-phosphate (S6P), at 2.0 Å Resolution.
Ji Hyun Lee, Constance Jeffery.

PP159
(E0078)
Time-resolved Crystallographic Studies of The Heme-based Senor FixLH.
Jason Key, Vukica Srajer, Reinhard Pahl, Keith Moffat.

PP284
(W0442)
A preliminary screen to optimize protein solubility and improve crystal screen results.
Aude Izaac Stephen Tomanicek Timothy Mueser

PPX020
(W0362)
Understanding Color Vision in Mammals: X-ray Crystal Structures of Some Cellular Retinoic Acid Binding Protein II Mutants as a Mimic of Rhodopsin.
Soheila Vaezeslami, Erika Mathes, Chrysoula Vasileiou, Rachael M. Crist, James H. Geiger, Babak Borhan.

PPX032
(W0251)
Comparison of Inhibitor Binding Modes to Aldose Reductase at Subatomic Resolution.
Tatiana Petrova, Federico Ruiz, Andre Mitschler, Isabelle Hazemann, Alberto Podjarny, Michael Van Zandt, Steve Ginell, Andrzejj Joachimiak.

PPX047
(W0092)
Pico- and Femtomolar Transition State Inhibitor- complexes of MTA/AdoHcy Nucleosidase.
JE Lee, V. Singh, VL Schramm, GB Evans, PC Tyler, RH Furneaux, PL Howell.

PPX131
(W0129)
Conformational Flexibility of UDP-GlcNAc Pyrophosphorylase.
Cynthia Sides, Jeffrey Wilson, Joshua Sakon.

PPX135
(W0409)
Human Carboxylesterase 1: Structural Insights into a Multifunctional Bioscavenger.
Christopher D. Fleming, S. Bencharit, Christopher L. Morton, Escher L. Howard-Williams, Phillip M. Potter, Matthew R. Redinbo.

PX136
(W0408)
Human Carboxylesterase 1 in Cholesteryl Ester Hydrolysis and Atherosclerosis.
Sompop Bencharit, Christopher L. Morton, Escher L. Howard-Williams, Peter Kuhn, Philip M. Potter, Matthew R. Redinbo.


Other: SMALL MOLECULES

P171
(E0014)
Crystal Structure and Charge Density Analysis of 1:1 Complex of 4-Nitrophenol and Ammonium 4- Nitrophenolate.
Kenneth L. Martin, Madoka Hasegawa, Edwin D. Stevens.

P175
(W0136)
Three Polymorphs of Compound [MnII(15- crown- 5)(H2O)2](NO3)2.
Xiang Hao, Sean Parkin, Carolyn Brock.

PP173
(W0044)
A Unique Heterotrimetallic CuIICoIIIZnII2 Complex With Diethanolamine Ligand.
Dmytro Nesterov, Valeriya Makhankova, Volodymyr Kokozay, Brian Skelton.


Other: SYNCHROTRON RADIATION

P279
(E0090)
Automated Protein Crystallography Beamlines at the ALS.
Christine B. Trame G. Snell C. Cork E. Cornell T. Earnest G. Meigs R. Nordmeyer J. Taylor


Structural Analysis by Hybrid Methods

P263
(E0080)
Structural Studies of E. coli Transhydrogenase A Multi- technique Approach for Membrane Proteins.
Holly Heaslet, Musto Yamaguchi, Vidyasankar Sundaresan, Mark Yeager, C. David Stout.


Structural Insights into Transcription

P149
(W0363)
A Comparison of Oct- 1/DNA/SNAP190 Transcription Signaling Complexes.
Stacy Hovde, Katherine Strong, Aimee Brooks, James Geiger.

P151
(W0425)
Structural Studies of SHOX-DNA Complex Involved in Growth Processes.
Narendra Narayana.

P153
(W0237)
Crystal Structure of YfiR, a Putative Transcriptional Regulator from Bacillus subtilis.
Shyamala Rajan, Xiaojing Yang, Ludmilla Shuvalova, Frank Collart, Wayne Anderson.

P261
(W0429)
Structural Mechanism for T7 RNA Polymerase Translocation.
Whitney Yin

PPX264
(E0082)
The Real Modulated NdTe3 Structure Type and its Properties: A Combined Superspace Group/Pair Distribution Function Analysis Approach.
Christos Malliakas HyunJeong Kim Daniel Bilc Simon Billinge Bhanu Mahanti Mercouri G. Kanatzidis


Contact: aca-inquiries@hwi.buffalo.edu

Last updated: Thu Jul 1 16:58:19 EDT 2004


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