1XGJ
 
 | | AmpC beta-lactamase in complex with 3-(4-carboxy-2-hydroxy-phenylsulfamoyl)-thiophene-2-carboxylic acid | | Descriptor: | 3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Tondi, D, Morandi, F, Bonnet, R, Costi, M.P, Shoichet, B.K. | | Deposit date: | 2004-09-17 | | Release date: | 2005-05-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.
J.Am.Chem.Soc., 127, 2005
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1T6W
 | | RATIONAL DESIGN OF A CALCIUM-BINDING ADHESION PROTEIN NMR, 20 STRUCTURES | | Descriptor: | CALCIUM ION, hypothetical protein XP_346638 | | Authors: | Yang, W, Wilkins, A.L, Ye, Y, Liu, Z.-R, Urbauer, J.L, Kearney, A, van der Merwe, P.A, Yang, J.J. | | Deposit date: | 2004-05-07 | | Release date: | 2005-02-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Design of a calcium-binding protein with desired structure in a cell adhesion molecule.
J.Am.Chem.Soc., 127, 2005
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1T1S
 | | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | | Deposit date: | 2004-04-17 | | Release date: | 2004-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
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1KJL
 | | High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc | | Descriptor: | BROMIDE ION, CHLORIDE ION, Galectin-3, ... | | Authors: | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | | Deposit date: | 2001-12-04 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction.
J.Am.Chem.Soc., 127, 2005
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1KJR
 | | Crystal Structure of the human galectin-3 CRD in complex with a 3'-derivative of N-Acetyllactosamine | | Descriptor: | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE, CHLORIDE ION, Galectin-3, ... | | Authors: | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | | Deposit date: | 2001-12-05 | | Release date: | 2005-04-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction.
J.Am.Chem.Soc., 127, 2005
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1YMS
 | | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with nafcinin-like boronic acid inhibitor | | Descriptor: | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID, beta-lactamase CTX-M-9 | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-21 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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1YLZ
 | | X-ray crystallographic structure of CTX-M-14 beta-lactamase complexed with ceftazidime-like boronic acid | | Descriptor: | BETA-LACTAMASE CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-19 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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1YMX
 | | X-ray crystallographic structure of CTX-M-9 beta-lactamase covalently linked to cefoxitin | | Descriptor: | (2R)-5-[(carbamoyloxy)methyl]-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, beta-lactamase CTX-M-9 | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-21 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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1YM1
 | | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with a boronic acid inhibitor (SM2) | | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase CTX-M-9a | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-20 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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1YLY
 | | X-ray crystallographic structure of CTX-M-9 beta-lactamase complexed with ceftazidime-like boronic acid | | Descriptor: | PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase CTX-M-9 | | Authors: | Chen, Y, Shoichet, B, Bonnet, R. | | Deposit date: | 2005-01-19 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structure, Function, and Inhibition along the Reaction Coordinate of CTX-M beta-Lactamases.
J.Am.Chem.Soc., 127, 2005
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1Y54
 | | Crystal structure of the native class C beta-lactamase from Enterobacter cloacae 908R complexed with BRL42715 | | Descriptor: | (7R)-6-FORMYL-7-(1-METHYL-1H-1,2,3-TRIAZOL-4-YL)-4,7-DIHYDRO-1,4-THIAZEPINE-3-CARBOXYLIC ACID, Beta-lactamase | | Authors: | Michaux, C, Charlier, P, Frere, J.-M, Wouters, J. | | Deposit date: | 2004-12-02 | | Release date: | 2005-03-29 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of BRL 42715, C6-(N1-Methyl-1,2,3-triazolylmethylene)penem, in Complex with Enterobactercloacae 908R beta-Lactamase: Evidence for a Stereoselective Mechanism from Docking Studies
J.Am.Chem.Soc., 127, 2005
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1XUW
 | | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogs | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(NMT)P*AP*CP*GP*C)-3') | | Authors: | Pattanayek, R, Sethaphong, L, Pan, C, Prhavc, M, Prakash, T.P, Manoharan, M, Egli, M. | | Deposit date: | 2004-10-26 | | Release date: | 2004-12-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural rationalization of a large difference in RNA affinity despite a small difference in chemistry between two 2'-O-modified nucleic acid analogues.
J.Am.Chem.Soc., 126, 2004
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1XVF
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1PPV
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1PPW
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1S2R
 | | A High Resolution Crystal Structure of [d(CGCAAATTTGCG)]2 | | Descriptor: | 5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3', SPERMINE | | Authors: | Woods, K.K, Maehigashi, T, Howerton, S.B, Tannenbaum, S, Williams, L.D. | | Deposit date: | 2004-01-09 | | Release date: | 2005-01-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | High-resolution structure of an extended A-tract: [d(CGCAAATTTGCG)]2.
J.Am.Chem.Soc., 126, 2004
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1S9B
 | | Crystal Structure Analysis of the B-DNA GAATTCG | | Descriptor: | 5'-D(*GP*AP*AP*TP*TP*CP*G)-3', NICKEL (II) ION | | Authors: | Valls, N, Uson, I, Gouyette, C, Subirana, J.A. | | Deposit date: | 2004-02-04 | | Release date: | 2004-09-07 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | A cubic arrangement of DNA double helices based on nickel-guanine interactions
J.Am.Chem.Soc., 126, 2004
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1T1R
 | | Crystal Structure of the Reductoisomerase Complexed with a Bisphosphonate | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, SULFATE ION, [(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | | Authors: | Yajima, S, Hara, K, Sanders, J.M, Yin, F, Ohsawa, K, Wiesner, J, Jomaa, H, Oldfield, E. | | Deposit date: | 2004-04-17 | | Release date: | 2004-09-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic Structures of Two Bisphosphonate:1-Deoxyxylulose-5-Phosphate Reductoisomerase Complexes
J.Am.Chem.Soc., 126, 2004
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1U74
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1U9E
 | | CRYSTAL STRUCTURE OF ESTROGEN RECEPTOR BETA COMPLEXED WITH WAY-397 | | Descriptor: | 2-(4-HYDROXY-PHENYL)BENZOFURAN-5-OL, Estrogen receptor beta, STEROID RECEPTOR COACTIVATOR-1 | | Authors: | Manas, E.S, Unwalla, R.J, Xu, Z.B, Malamas, M.S, Miller, C.P, Harris, H.A, Hsiao, C, Akopian, T, Hum, W.T, Malakian, K, Wolfrom, S, Bapat, A, Bhat, R.A, Stahl, M.L, Somers, W.S, Alvarez, J.C. | | Deposit date: | 2004-08-09 | | Release date: | 2005-03-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-Based Design Of Estrogen Receptor-beta Selective Ligands
J.Am.Chem.Soc., 126, 2004
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1U75
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1U9H
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1U9G
 | | Heterocyclic Peptide Backbone Modification in GCN4-pLI Based Coiled Coils: Replacement of K(8)L(9) | | Descriptor: | General control protein GCN4, SULFATE ION | | Authors: | Horne, W.S, Yadav, M.K, Stout, C.D, Ghadiri, M.R. | | Deposit date: | 2004-08-09 | | Release date: | 2004-11-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Heterocyclic peptide backbone modifications in an alpha-helical coiled coil.
J.Am.Chem.Soc., 126, 2004
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1VZK
 | | A Thiophene Based Diamidine Forms a "Super" AT Binding Minor Groove Agent | | Descriptor: | 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP *CP*G)-3', MAGNESIUM ION | | Authors: | Mallena, S, Lee, M.P.H, Bailly, C, Neidle, S, Kumar, A, Boykin, D.W, Wilson, W.D. | | Deposit date: | 2004-05-20 | | Release date: | 2004-10-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Thiophene-Based Diamidine Forms a "Super" at Binding Minor Groove Agent
J.Am.Chem.Soc., 142, 2004
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1WUG
 | | complex structure of PCAF bromodomain with small chemical ligand NP1 | | Descriptor: | Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | | Authors: | Zeng, L, Li, J, Muller, M, Yan, S, Mujtaba, S, Pan, C, Wang, Z, Zhou, M.M. | | Deposit date: | 2004-12-07 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127, 2005
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