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6JCX
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BU of 6jcx by Molmil
Mycobacterium tuberculosis transcription initiation complex with ECF sigma factor sigma H and 6nt RNA
分子名称: DNA (5'-D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Li, L, Zhang, Y.
登録日2019-01-30
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献Structures and mechanism of transcription initiation by bacterial ECF factors.
Nucleic Acids Res., 47, 2019
5YHX
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BU of 5yhx by Molmil
Structure of Lactococcus lactis ZitR, wild type
分子名称: ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
5YI0
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BU of 5yi0 by Molmil
Structure of Lactococcus lactis ZitR, C30AH42A mutant
分子名称: ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
5YI1
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BU of 5yi1 by Molmil
Structure of Lactococcus lactis ZitR, C30AH42A mutant in apo form
分子名称: Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
5YI2
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BU of 5yi2 by Molmil
Structure of Lactococcus lactis ZitR, wild type in complex with DNA
分子名称: DNA (5'-D(*TP*GP*TP*TP*AP*AP*CP*TP*AP*GP*TP*TP*AP*AP*CP*A)-3'), ZINC ION, Zinc transport transcriptional regulator
著者Song, Y, Liu, H, Zhu, R, Yi, C, Chen, P.
登録日2017-10-01
公開日2017-12-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric histidine switch for regulation of intracellular zinc(II) fluctuation.
Proc.Natl.Acad.Sci.USA, 114, 2017
7XLB
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BU of 7xlb by Molmil
Cryo-EM structure of human pannexin 2
分子名称: Pannexin-2
著者Hang, Z, Huawei, Z, Daping, W.
登録日2022-04-21
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Cryo-EM structure of human heptameric pannexin 2 channel
Nat Commun, 14, 2023
6TNM
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BU of 6tnm by Molmil
E. coli aerobic trifunctional enzyme subunit-alpha
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Fatty acid oxidation complex subunit alpha, GLYCEROL, ...
著者Sah-Teli, S.K, Hynonen, M.J, Wierenga, R.K, Venkatesan, R.
登録日2019-12-09
公開日2020-03-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Insights into the stability and substrate specificity of the E. coli aerobic beta-oxidation trifunctional enzyme complex.
J.Struct.Biol., 210, 2020
1AW5
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BU of 1aw5 by Molmil
5-AMINOLEVULINATE DEHYDRATASE FROM SACCHAROMYCES CEREVISIAE
分子名称: 5-AMINOLEVULINATE DEHYDRATASE, ZINC ION
著者Erskine, P.T, Cooper, J.B, Wood, S.P.
登録日1997-10-09
公開日1998-10-21
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-ray structure of 5-aminolaevulinate dehydratase, a hybrid aldolase.
Nat.Struct.Biol., 4, 1997
5V24
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BU of 5v24 by Molmil
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
分子名称: 2-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-N-(pyridin-2-yl)-1,3-thiazole-4-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Dougan, D.R, Lawson, J.D.
登録日2017-03-02
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Bioorg. Med. Chem. Lett., 27, 2017
4WWO
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BU of 4wwo by Molmil
Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
5VBO
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BU of 5vbo by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH LRRK2-IN-1
分子名称: 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4, ...
著者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 (1.3 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
5ZJ2
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BU of 5zj2 by Molmil
Crystal structure of NDM-1 in complex with D-captopril
分子名称: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-18
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5ZIO
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BU of 5zio by Molmil
Crystal structure of NDM-1 in complex with L-captopril
分子名称: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
著者Zhang, H, Hao, Q.
登録日2018-03-16
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献Structure-guided optimization of D-captopril for discovery of potent NDM-1 inhibitors
Bioorg.Med.Chem., 29, 2020
5V19
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BU of 5v19 by Molmil
Structure-based drug design of novel ASK1 inhibitors using a fully integrated lead optimization strategy
分子名称: Mitogen-activated protein kinase kinase kinase 5, N-(1-ethyl-1H-pyrazol-4-yl)furan-3-carboxamide
著者Dougan, D.R, Lawson, J.D, Lane, W.
登録日2017-03-01
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure-based drug design of novel ASK1 inhibitors using an integrated lead optimization strategy.
Bioorg. Med. Chem. Lett., 27, 2017
5Z0Q
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BU of 5z0q by Molmil
Crystal Structure of OvoB
分子名称: Aminotransferase, class I and II, PYRIDOXAL-5'-PHOSPHATE
著者Cai, Y.J, Huang, P, Wu, L, Zhou, J.H, Liu, P.H.
登録日2017-12-20
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献In Vitro Reconstitution of the Remaining Steps in Ovothiol A Biosynthesis: C-S Lyase and Methyltransferase Reactions.
Org. Lett., 20, 2018
6JIM
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BU of 6jim by Molmil
Viral helicase protein
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM ION, CHLORIDE ION, ...
著者Law, Y.S.
登録日2019-02-22
公開日2019-04-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into RNA recognition by the Chikungunya virus nsP2 helicase.
Proc.Natl.Acad.Sci.USA, 116, 2019
5V67
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BU of 5v67 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH Volasertib
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者EMBER, S.W, ZHU, J.-Y, SCHONBRUNN, E.
登録日2017-03-16
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
4WWP
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BU of 4wwp by Molmil
Crystal structure of human PI3K-gamma in complex with pyridinylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine
分子名称: GLYCEROL, N-{(1S)-1-[8-chloro-2-(2-methylpyridin-3-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, ...
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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
6JCY
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BU of 6jcy by Molmil
Mycobacterium tuberculosis RNA polymerase transcription initiation open complex with a chimeric ECF sigma factor sigH/E
分子名称: DNA (5'-D(*TP*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*GP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*CP*A)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Li, L, Zhang, Y.
登録日2019-01-30
公開日2019-05-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.106 Å)
主引用文献Structures and mechanism of transcription initiation by bacterial ECF factors.
Nucleic Acids Res., 47, 2019
1QD3
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BU of 1qd3 by Molmil
HIV-1 TAR RNA/NEOMYCIN B COMPLEX
分子名称: 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 2,6-diamino-2,6-dideoxy-beta-L-idopyranose-(1-3)-alpha-D-ribofuranose, 2-DEOXYSTREPTAMINE, ...
著者Faber, C, Sticht, H, Roesch, P.
登録日1999-07-07
公開日2000-07-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Structural rearrangements of HIV-1 Tat-responsive RNA upon binding of neomycin B.
J.Biol.Chem., 275, 2000
4WWN
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BU of 4wwn by Molmil
Crystal structure of human PI3K-gamma in complex with (S)-N-(1-(7-fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine AMG319 inhibitor
分子名称: N-{(1S)-1-[7-fluoro-2-(pyridin-2-yl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2014-11-11
公開日2014-12-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease.
J.Med.Chem., 58, 2015
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
5VBP
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BU of 5vbp by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH RO3280
分子名称: 1,2-ETHANEDIOL, 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4, ...
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 (1.83 Å)
主引用文献Differential BET Bromodomain Inhibition by Dihydropteridinone and Pyrimidodiazepinone Kinase Inhibitors.
J.Med.Chem., 2021
6A46
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BU of 6a46 by Molmil
Structure of TREX2 in complex with a nucleotide (dCMP)
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
著者Hsiao, Y.Y.
登録日2018-06-19
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the duplex DNA processing of TREX2
Nucleic Acids Res., 46, 2018

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