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PDB: 1282 results

2R86
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BU of 2r86 by Molmil
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
2R7K
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BU of 2r7k by Molmil
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
2R7M
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BU of 2r7m by Molmil
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
2A9Y
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BU of 2a9y by Molmil
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
2AA0
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BU of 2aa0 by Molmil
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
2AB8
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BU of 2ab8 by Molmil
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
2A7Q
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BU of 2a7q by Molmil
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
1YFX
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BU of 1yfx by Molmil
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
1YFW
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BU of 1yfw by Molmil
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
2ABS
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BU of 2abs by Molmil
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
2A8Y
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BU of 2a8y by Molmil
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
2A9Z
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BU of 2a9z by Molmil
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
1YFY
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BU of 1yfy by Molmil
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
1YFU
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BU of 1yfu by Molmil
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
5WSH
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BU of 5wsh by Molmil
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
5CS8
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BU of 5cs8 by Molmil
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
5D0C
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BU of 5d0c by Molmil
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
5CTL
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BU of 5ctl by Molmil
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
5COI
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BU of 5coi by Molmil
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
5CPE
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BU of 5cpe by Molmil
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
5CP5
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BU of 5cp5 by Molmil
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
5CQT
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BU of 5cqt by Molmil
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
5CRM
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BU of 5crm by Molmil
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
5CY9
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BU of 5cy9 by Molmil
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
4L1I
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BU of 4l1i by Molmil
Crystal structure of EGFP-based Calcium Sensor CatchER complexed with Ca
Descriptor: CALCIUM ION, EGFP-based Calcium Sensor CatchER
Authors:Zhang, Y, Weber, I.T.
Deposit date:2013-06-03
Release date:2013-12-11
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis for a hand-like site in the calcium sensor CatchER with fast kinetics.
Acta Crystallogr.,Sect.D, 69, 2013

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