2R86
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![BU of 2r86 by Molmil](/molmil-images/mine/2r86) | Crystal structure of PurP from Pyrococcus furiosus complexed with ATP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, ... | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | Deposit date: | 2007-09-10 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii. Biochemistry, 47, 2008
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2R7K
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![BU of 2r7k by Molmil](/molmil-images/mine/2r7k) | Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMPPCP and AICAR | Descriptor: | 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, CHLORIDE ION, ... | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | Deposit date: | 2007-09-09 | Release date: | 2007-12-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii. Biochemistry, 47, 2008
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2R7M
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![BU of 2r7m by Molmil](/molmil-images/mine/2r7m) | Crystal structure of FAICAR synthetase (PurP) from M. jannaschii complexed with AMP | Descriptor: | 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Zhang, Y, White, R.H, Ealick, S.E. | Deposit date: | 2007-09-09 | Release date: | 2007-12-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure and function of 5-formaminoimidazole-4-carboxamide ribonucleotide synthetase from Methanocaldococcus jannaschii. Biochemistry, 47, 2008
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2A9Y
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![BU of 2a9y by Molmil](/molmil-images/mine/2a9y) | Crystal structure of T. gondii adenosine kinase complexed with N6-dimethyladenosine | Descriptor: | 6N-DIMETHYLADENOSINE, ACETATE ION, CHLORIDE ION, ... | Authors: | Zhang, Y, el Kouni, M.H, Ealick, S.E. | Deposit date: | 2005-07-12 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase Acta Crystallogr.,Sect.D, 63, 2007
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2AA0
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![BU of 2aa0 by Molmil](/molmil-images/mine/2aa0) | Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside | Descriptor: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Zhang, Y, el Kouni, M.H, Ealick, S.E. | Deposit date: | 2005-07-13 | Release date: | 2006-07-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase Acta Crystallogr.,Sect.D, 63, 2007
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2AB8
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![BU of 2ab8 by Molmil](/molmil-images/mine/2ab8) | Crystal structure of T. gondii adenosine kinase complexed with 6-methylmercaptopurine riboside and AMP-PCP | Descriptor: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL, CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Zhang, Y, el Kouni, M.H, Ealick, S.E. | Deposit date: | 2005-07-14 | Release date: | 2006-07-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase Acta Crystallogr.,Sect.D, 63, 2007
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2A7Q
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![BU of 2a7q by Molmil](/molmil-images/mine/2a7q) | Crystal structure of human dCK complexed with clofarabine and ADP | Descriptor: | 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE, ADENOSINE-5'-DIPHOSPHATE, Deoxycytidine kinase, ... | Authors: | Zhang, Y, Secrist III, J.A, Ealick, S.E. | Deposit date: | 2005-07-05 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The structure of human deoxycytidine kinase in complex with clofarabine reveals key interactions for prodrug activation. Acta Crystallogr.,Sect.D, 62, 2006
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1YFX
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![BU of 1yfx by Molmil](/molmil-images/mine/1yfx) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and NO | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate-3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ... | Authors: | Zhang, Y, Colabroy, K.L, Begley, T.P, Ealick, S.E. | Deposit date: | 2005-01-04 | Release date: | 2005-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies on 3-Hydroxyanthranilate-3,4-dioxygenase: The Catalytic Mechanism of a Complex Oxidation Involved in NAD Biosynthesis. Biochemistry, 44, 2005
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1YFW
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![BU of 1yfw by Molmil](/molmil-images/mine/1yfw) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and O2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate-3,4-dioxygenase, 4-CHLORO-3-HYDROXYANTHRANILIC ACID, ... | Authors: | Zhang, Y, Colabroy, K.L, Begley, T.P, Ealick, S.E. | Deposit date: | 2005-01-04 | Release date: | 2005-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Studies on 3-Hydroxyanthranilate-3,4-dioxygenase: The Catalytic Mechanism of a Complex Oxidation Involved in NAD Biosynthesis. Biochemistry, 44, 2005
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2ABS
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![BU of 2abs by Molmil](/molmil-images/mine/2abs) | Crystal structure of T. gondii adenosine kinase complexed with AMP-PCP | Descriptor: | CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SODIUM ION, ... | Authors: | Zhang, Y, el Kouni, M.H, Ealick, S.E. | Deposit date: | 2005-07-16 | Release date: | 2006-01-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structure of Toxoplasma gondii adenosine kinase in complex with an ATP analog at 1.1 angstroms resolution. Acta Crystallogr.,Sect.D, 62, 2006
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2A8Y
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![BU of 2a8y by Molmil](/molmil-images/mine/2a8y) | Crystal structure of 5'-deoxy-5'methylthioadenosine phosphorylase complexed with 5'-deoxy-5'methylthioadenosine and sulfate | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5'-methylthioadenosine phosphorylase (mtaP), SULFATE ION | Authors: | Zhang, Y, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | Deposit date: | 2005-07-10 | Release date: | 2006-03-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase II from Sulfolobus solfataricus, a thermophilic enzyme stabilized by intramolecular disulfide bonds. J.Mol.Biol., 357, 2006
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2A9Z
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![BU of 2a9z by Molmil](/molmil-images/mine/2a9z) | Crystal structure of T. gondii adenosine kinase complexed with N6-dimethyladenosine and AMP-PCP | Descriptor: | 6N-DIMETHYLADENOSINE, CHLORIDE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Zhang, Y, el Kouni, M.H, Ealick, S.E. | Deposit date: | 2005-07-12 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Substrate analogs induce an intermediate conformational change in Toxoplasma gondii adenosine kinase Acta Crystallogr.,Sect.D, 63, 2007
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1YFY
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![BU of 1yfy by Molmil](/molmil-images/mine/1yfy) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 3-hydroxyanthranilic acid | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-HYDROXYANTHRANILIC ACID, 3-hydroxyanthranilate-3,4-dioxygenase, ... | Authors: | Zhang, Y, Colabroy, K.L, Begley, T.P, Ealick, S.E. | Deposit date: | 2005-01-04 | Release date: | 2005-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Studies on 3-Hydroxyanthranilate-3,4-dioxygenase: The Catalytic Mechanism of a Complex Oxidation Involved in NAD Biosynthesis. Biochemistry, 44, 2005
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1YFU
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![BU of 1yfu by Molmil](/molmil-images/mine/1yfu) | Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate-3,4-dioxygenase, CHLORIDE ION, ... | Authors: | Zhang, Y, Colabroy, K.L, Begley, T.P, Ealick, S.E. | Deposit date: | 2005-01-04 | Release date: | 2005-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Studies on 3-Hydroxyanthranilate-3,4-dioxygenase: The Catalytic Mechanism of a Complex Oxidation Involved in NAD Biosynthesis. Biochemistry, 44, 2005
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5WSH
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![BU of 5wsh by Molmil](/molmil-images/mine/5wsh) | Structure of HLA-A2 P130 | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ... | Authors: | Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S. | Deposit date: | 2016-12-07 | Release date: | 2017-12-20 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress. J. Virol., 92, 2018
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5CS8
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![BU of 5cs8 by Molmil](/molmil-images/mine/5cs8) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-23 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5D0C
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![BU of 5d0c by Molmil](/molmil-images/mine/5d0c) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-08-03 | Release date: | 2016-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CTL
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![BU of 5ctl by Molmil](/molmil-images/mine/5ctl) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-24 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5COI
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![BU of 5coi by Molmil](/molmil-images/mine/5coi) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-20 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CPE
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![BU of 5cpe by Molmil](/molmil-images/mine/5cpe) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-21 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CP5
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![BU of 5cp5 by Molmil](/molmil-images/mine/5cp5) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-21 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CQT
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![BU of 5cqt by Molmil](/molmil-images/mine/5cqt) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-22 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CRM
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![BU of 5crm by Molmil](/molmil-images/mine/5crm) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-23 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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5CY9
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![BU of 5cy9 by Molmil](/molmil-images/mine/5cy9) | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-30 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation J.Med.Chem., 59, 2016
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4L1I
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![BU of 4l1i by Molmil](/molmil-images/mine/4l1i) | |