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5VBR
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BU of 5vbr by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH Volasertib
分子名称: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, CHLORIDE ION, ...
著者EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
登録日2017-03-30
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
5VBQ
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BU of 5vbq by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRDT IN COMPLEX WITH BI2536
分子名称: 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain testis-specific protein, ...
著者EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
登録日2017-03-30
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
4MEQ
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BU of 4meq by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
分子名称: 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
2O36
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BU of 2o36 by Molmil
Crystal structure of engineered thimet oligopeptidase with neurolysin specificity in neurotensin cleavage site
分子名称: Thimet oligopeptidase, ZINC ION
著者Rodgers, D.W, Lim, E.J.
登録日2006-11-30
公開日2007-01-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Swapping the substrate specificities of the neuropeptidases neurolysin and thimet oligopeptidase.
J.Biol.Chem., 282, 2007
4O0F
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BU of 4o0f by Molmil
Crystal structure of the human L-asparaginase protein T219A mutant
分子名称: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4MEN
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BU of 4men by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 5-methyl-triazolopyrimidine ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4O0H
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BU of 4o0h by Molmil
Crystal structure of human L-asparaginase protein with covalently linked substrate L-asparagine
分子名称: BETA-L-ASPARTIC ACID, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0D
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BU of 4o0d by Molmil
Crystal structure of the human L-asparaginase protein T168S mutant
分子名称: GLYCINE, Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4MEO
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BU of 4meo by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-methyl-quinoline ligand
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEP
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BU of 4mep by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with a 3-chloro-pyridone ligand
分子名称: 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one, Bromodomain-containing protein 4
著者Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, Vidler, L.R, Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Hoelder, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-08-27
公開日2013-09-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4O0E
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BU of 4o0e by Molmil
Crystal structure of the human L-asparaginase protein T186V mutant
分子名称: Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O1L
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BU of 4o1l by Molmil
Human Adenosine Kinase in complex with inhibitor
分子名称: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase, MAGNESIUM ION
著者Brynda, J, Dostal, J, Pichova, I, Hodcek, M.
登録日2013-12-16
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
4O0C
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BU of 4o0c by Molmil
High resolution crystal structure of uncleaved human L-asparaginase protein
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Isoaspartyl peptidase/L-asparaginase, ...
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
4O0G
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BU of 4o0g by Molmil
Crystal structure of the human L-asparaginase protein T219V mutant
分子名称: Isoaspartyl peptidase/L-asparaginase, SODIUM ION
著者Nomme, J, Lavie, A.
登録日2013-12-13
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Elucidation of the Specific Function of the Conserved Threonine Triad Responsible for Human l-Asparaginase Autocleavage and Substrate Hydrolysis.
J.Mol.Biol., 426, 2014
7MRC
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BU of 7mrc by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-052
分子名称: 1,2-ETHANEDIOL, Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, ...
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRD
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BU of 7mrd by Molmil
Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-082
分子名称: Bromodomain testis-specific protein, N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
著者Chan, A, Schonbrunn, E.
登録日2021-05-07
公開日2022-05-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
1ZQL
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BU of 1zql by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (15 MILLIMOLAR) AND MGCL2 (15 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), MANGANESE (II) ION, ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQD
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BU of 1zqd by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (150 MILLIMOLAR)
分子名称: CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQH
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BU of 1zqh by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF A SODIUM-FREE ARTIFICIAL MOTHER LIQUOR AT PH 7.5
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQI
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BU of 1zqi by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF KCL (150 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), POTASSIUM ION, ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQT
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BU of 1zqt by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF DATP (0.01 MILLIMOLAR) AND ZNCL2 (0.02 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
1ZQC
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BU of 1zqc by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR)
分子名称: CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQN
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BU of 1zqn by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF BACL2 (15 MILLIMOLAR) AND NACL (15 MILLIMOLAR)
分子名称: BARIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQG
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BU of 1zqg by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF A SODIUM-FREE ARTIFICIAL MOTHER LIQUOR AT PH 6.5
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQS
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BU of 1zqs by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF TLCL (0.5 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996

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