2A2Q
 
 | | Complex of Active-site Inhibited Human Coagulation Factor VIIa with Human Soluble Tissue Factor in the Presence of Ca2+, Mg2+, Na+, and Zn2+ | | Descriptor: | CALCIUM ION, CHLORIDE ION, Coagulation factor VII, ... | | Authors: | Bajaj, S.P, Bajaj, M, Schmidt, A.E, Padmanabhan, K. | | Deposit date: | 2005-06-22 | | Release date: | 2006-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High resolution structures of p-aminobenzamidine- and benzamidine-VIIa/soluble tissue factor: unpredicted conformation of the 192-193 peptide bond and mapping of Ca2+, Mg2+, Na+, and Zn2+ sites in factor VIIa.
J.Biol.Chem., 281, 2006
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2A2R
 | | Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ... | | Authors: | Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W. | | Deposit date: | 2005-06-23 | | Release date: | 2006-06-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
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2A2S
 | | Crystal Structure of Human Glutathione Transferase in complex with S-nitrosoglutathione in the absence of reducing agent | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ... | | Authors: | Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W. | | Deposit date: | 2005-06-23 | | Release date: | 2006-06-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
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2A2T
 | | crystal structure of d(AAATATTT) | | Descriptor: | 5'-D(*AP*AP*AP*TP*AP*TP*TP*T)-3', CACODYLATE ION, MANGANESE (II) ION | | Authors: | Valls, N, Richter, M, Subirana, J.A. | | Deposit date: | 2005-06-23 | | Release date: | 2005-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of a DNA duplex with all-AT base pairs.
Acta Crystallogr.,Sect.D, 61, 2005
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2A2U
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2A2V
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2A2X
 | | Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12 | | Descriptor: | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN-3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE, Thrombin heavy chain, Thrombin light chain, ... | | Authors: | Lange, U.E.W, Baucke, D, Hornberger, W, Mack, H, Seitz, W, Hoeffken, H.W. | | Deposit date: | 2005-06-23 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety
BIOORG.MED.CHEM.LETT., 16, 2006
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2A2Y
 | | NMR Structue of Sso10b2 from Sulfolobus solfataricus | | Descriptor: | DNA/RNA-binding protein Alba 2 | | Authors: | Biyani, K, Kahsai, M.A, Clark, A.T, Armstrong, T.L, Edmondson, S.P, Shriver, J.W. | | Deposit date: | 2005-06-23 | | Release date: | 2005-11-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure, stability, and nucleic Acid binding of the hyperthermophile protein sso10b2.
Biochemistry, 44, 2005
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2A2Z
 | | Crystal Structure of human deoxycytidine kinase in complex with deoxycytidine and uridine diphosphate | | Descriptor: | 2'-DEOXYCYTIDINE, CALCIUM ION, Deoxycytidine kinase, ... | | Authors: | Godsey, M.H, Ort, S, Sabini, E, Konrad, M, Lavie, A. | | Deposit date: | 2005-06-23 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural basis for the preference of UTP over ATP in human deoxycytidine kinase: illuminating the role of main-chain reorganization.
Biochemistry, 45, 2006
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2A30
 | | Crystal structure of human deoxycytidine kinase in complex with deoxycytidine | | Descriptor: | 2'-DEOXYCYTIDINE, CALCIUM ION, Deoxycytidine kinase | | Authors: | Godsey, M.H, Ort, S, Sabini, E, Konrad, M, Lavie, A. | | Deposit date: | 2005-06-23 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural basis for the preference of UTP over ATP in human deoxycytidine kinase: illuminating the role of main-chain reorganization.
Biochemistry, 45, 2006
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2A31
 | | Trypsin in complex with borate | | Descriptor: | BORATE ION, CALCIUM ION, GUANIDINE-3-PROPANOL, ... | | Authors: | Transue, T.R, Gabel, S.A, London, R.E. | | Deposit date: | 2005-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
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2A32
 | | Trypsin in complex with benzene boronic acid | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, BORATE ION, CALCIUM ION, ... | | Authors: | Transue, T.R, Gabel, S.A, London, R.E. | | Deposit date: | 2005-06-23 | | Release date: | 2006-07-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | NMR and crystallographic characterization of adventitious borate binding by trypsin.
Bioconjug.Chem., 17, 2006
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2A33
 | | X-Ray Structure of a Lysine Decarboxylase-Like Protein from Arabidopsis Thaliana Gene AT2G37210 | | Descriptor: | MAGNESIUM ION, SULFATE ION, hypothetical protein | | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2005-06-23 | | Release date: | 2005-07-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | X-ray crystal structures of the conserved hypothetical proteins from Arabidopsis thaliana gene loci At5g11950 and AT2g37210.
Proteins, 65, 2006
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2A35
 | | 1.5 A Crystal Structure of a Protein of Unknown Function PA4017 from Pseudomonas aeruginosa PAO1, Possible Epimerase | | Descriptor: | hypothetical protein PA4017 | | Authors: | Zhang, R, Xu, L, Cuff, M, Savchenko, A, Cymborowski, M, Minor, W, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-06-23 | | Release date: | 2005-08-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5A crystal structure of a hypothetical protein PA4017 from
Pseudomonas aeruginosa PAO1
To be Published
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2A36
 | | Solution structure of the N-terminal SH3 domain of DRK | | Descriptor: | Protein E(sev)2B | | Authors: | Forman-Kay, J.D, Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M. | | Deposit date: | 2005-06-23 | | Release date: | 2005-12-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant
Biochemistry, 44, 2005
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2A37
 | | Solution structure of the T22G mutant of N-terminal SH3 domain of DRK (DRKN SH3 DOMAIN) | | Descriptor: | Protein E(sev)2B | | Authors: | Bezsonova, I, Singer, A, Choy, W.-Y, Tollinger, M, Forman-Kay, J.D. | | Deposit date: | 2005-06-23 | | Release date: | 2005-12-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural Comparison of the Unstable drkN SH3 Domain and a Stable Mutant
Biochemistry, 44, 2005
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2A38
 | | Crystal structure of the N-Terminus of titin | | Descriptor: | CADMIUM ION, Titin | | Authors: | Marino, M, Muhle-Goll, C, Svergun, D, Demirel, M, Mayans, O. | | Deposit date: | 2005-06-24 | | Release date: | 2006-06-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Ig doublet Z1Z2: a model system for the hybrid analysis of conformational dynamics in Ig tandems from titin
Structure, 14, 2006
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2A39
 | | HUMICOLA INSOLENS ENDOCELLULASE EGI NATIVE STRUCTURE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDOGLUCANASE I | | Authors: | Davies, G.J, Sulzenbacher, G, Mackenzie, L, Withers, S.G, Divne, C, Jones, T.A, Woldike, H.F, Schulein, M. | | Deposit date: | 1998-01-30 | | Release date: | 1999-02-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the family 7 endoglucanase I (Cel7B) from Humicola insolens at 2.2 A resolution and identification of the catalytic nucleophile by trapping of the covalent glycosyl-enzyme intermediate.
Biochem.J., 335, 1998
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2A3A
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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2A3B
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine | | Descriptor: | CAFFEINE, SULFATE ION, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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2A3C
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline | | Descriptor: | 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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2A3D
 | | SOLUTION STRUCTURE OF A DE NOVO DESIGNED SINGLE CHAIN THREE-HELIX BUNDLE (A3D) | | Descriptor: | PROTEIN (DE NOVO THREE-HELIX BUNDLE) | | Authors: | Walsh, S.T.R, Cheng, H, Bryson, J.W, Roder, H, Degrado, W.F. | | Deposit date: | 1999-04-01 | | Release date: | 1999-05-05 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of a de novo designed three-helix bundle protein.
Proc.Natl.Acad.Sci.USA, 96, 1999
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2A3E
 | | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ... | | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | | Deposit date: | 2005-06-24 | | Release date: | 2005-09-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
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2A3F
 | | Crystal structure of nitrophorin 2 aqua complex | | Descriptor: | Nitrophorin 2, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Weichsel, A, Berry, R.E, Walker, F.A, Montfort, W.R. | | Deposit date: | 2005-06-24 | | Release date: | 2006-06-06 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structures, ligand induced conformational change and heme deformation in complexes of nitrophorin 2, a nitric oxide transport protein from rhodnius prolixus.
To be Published
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2A3G
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