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5Z9Q
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Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-04
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
1DJI
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PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C-DELTA1 FROM RAT COMPLEXED WITH CALCIUM
分子名称: ACETATE ION, CALCIUM ION, PHOSPHOINOSITIDE-SPECIFIC PHOSPHOLIPASE C, ...
著者Essen, L.-O, Perisic, O, Williams, R.L.
登録日1996-09-25
公開日1997-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A ternary metal binding site in the C2 domain of phosphoinositide-specific phospholipase C-delta1.
Biochemistry, 36, 1997
6KH3
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Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes
分子名称: FE (III) ION, Ferritin, NICKEL (II) ION
著者Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G.
登録日2019-07-12
公開日2020-01-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
4ZJR
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RORgamma in complex with inverse agonist 48
分子名称: 6-chloro-4'-[(2-chloro-6-fluorobenzoyl)(methyl)amino]-3'-(2,2,2-trifluoroethoxy)biphenyl-3-carboxamide, Nuclear receptor ROR-gamma
著者Marcotte, D.J.
登録日2015-04-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.702 Å)
主引用文献Discovery of biaryl carboxylamides as potent ROR gamma inverse agonists.
Bioorg.Med.Chem.Lett., 25, 2015
5Z9B
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BU of 5z9b by Molmil
Bacterial GyrB ATPase domain in complex with (3,4-dichlorophenyl)hydrazine
分子名称: (3,4-dichlorophenyl)hydrazine, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
著者Huang, X, Zhou, H.
登録日2018-02-02
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5Z9M
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BU of 5z9m by Molmil
Bacterial GyrB ATPase domain in complex with a chemical fragment
分子名称: 1-benzofuran-2-carboxylic acid, DNA gyrase subunit B, SULFATE ION
著者Huang, X, Zhou, H.
登録日2018-02-03
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
5HEG
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BU of 5heg by Molmil
Pentameric ligand-gated ion channel GLIC mutant P246G
分子名称: Proton-gated ion channel
著者Bertozzi, C, Hilf, R.J.C, Dtuzler, R.
登録日2016-01-06
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.214 Å)
主引用文献Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.
Plos Biol., 14, 2016
5ZSX
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Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2
分子名称: 1,2-ETHANEDIOL, 3-FLUOROBENZENE-1,2-DIOL, CALCIUM ION, ...
著者Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G.
登録日2018-04-30
公開日2019-06-12
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2.
To Be Published
5W2Q
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Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5W2S
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Crystal Structure of Mycobacterium Tuberculosis KasA in complex with KMG
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.399 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
5HRI
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BU of 5hri by Molmil
The crystal structure of AsfvPolX:DNA1 binary complex
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*TP*TP*CP*TP*AP*TP*CP*TP*GP*TP*AP*CP*TP*CP*AP*C)-3', DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*A)-3'), ...
著者Chen, Y.Q, Zhang, J, Gan, J.H.
登録日2016-01-23
公開日2017-01-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The crystal structure of AsfvPolX: 1nt-gap(P) DNA1: dGTP ternary complex.
To Be Published
5UNW
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Structure of rat neuronal nitric oxide synthase heme domain in complex with 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-((methylamino)methyl)benzonitrile
分子名称: 3-[2-(2-amino-4-methylquinolin-7-yl)ethyl]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.044 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5FWS
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Wnt modulator Kremen crystal form I at 1.90A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, KREMEN PROTEIN 1, ...
著者Zebisch, M, Jackson, V.A, Jones, E.Y.
登録日2016-02-21
公開日2016-07-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the Dual-Mode Wnt Regulator Kremen1 and Insight Into Ternary Complex Formation with Lrp6 and Dickkopf
Structure, 24, 2016
5UO8
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BU of 5uo8 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
著者Chreifi, G, Li, H, Poulos, T.L.
登録日2017-01-31
公開日2017-05-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
5UXO
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BU of 5uxo by Molmil
Type II DAH7PS from Pseudomonas aeruginosa
分子名称: ACETATE ION, CHLORIDE ION, COBALT (II) ION, ...
著者Sterritt, O.W, Jameson, G.B, Parker, E.J.
登録日2017-02-23
公開日2018-02-28
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
5ZZ2
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Crystal structure of PDE5 in complex with inhibitor LW1634
分子名称: 3-[(2H-1,3-benzodioxol-5-yl)methyl]-8-fluoro-1-(1,3-thiazol-2-yl)[1]benzopyrano[2,3-c]pyrrol-9(2H)-one, MAGNESIUM ION, SULFATE ION, ...
著者Wu, D, Huang, Y.D, Huang, Y.Y, Luo, H.B.
登録日2018-05-29
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Optimization of Chromeno[2,3- c]pyrrol-9(2 H)-ones as Highly Potent, Selective, and Orally Bioavailable PDE5 Inhibitors: Structure-Activity Relationship, X-ray Crystal Structure, and Pharmacodynamic Effect on Pulmonary Arterial Hypertension.
J. Med. Chem., 61, 2018
5ZSZ
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Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2
分子名称: CALCIUM ION, Catechol 2,3-dioxygenase, Extradiol ring cleavage protein, ...
著者Mishra, K, Arya, C.K, Subramanian, R, Ramanathan, G.
登録日2018-04-30
公開日2019-05-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catechol 2,3-dioxygenase (C23O64) from Diaphorobacter sp DS2
To Be Published
5HEW
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BU of 5hew by Molmil
Pentameric ligand-gated ion channel ELIC mutant T28D
分子名称: Gamma-aminobutyric-acid receptor subunit beta-1
著者Engeler, S, Dutzler, R.
登録日2016-01-06
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.5 Å)
主引用文献Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels.
Plos Biol., 14, 2016
4JHP
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BU of 4jhp by Molmil
The crystal structure of the RPGR RCC1-like domain in complex with PDE6D
分子名称: Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, X-linked retinitis pigmentosa GTPase regulator
著者Waetzlich, D, Vetter, I, Wittinghofer, A, Ismail, S.
登録日2013-03-05
公開日2013-04-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The interplay between RPGR, PDE-delta and Arl2/3 regulate the ciliary targeting of farnesylated cargo.
Embo Rep., 14, 2013
4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
分子名称: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-11
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
1OQK
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BU of 1oqk by Molmil
Structure of Mth11: A homologue of human RNase P protein Rpp29
分子名称: conserved protein MTH11
著者Boomershine, W.P, McElroy, C.A, Tsai, H, Gopalan, V, Foster, M.P.
登録日2003-03-10
公開日2004-01-13
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of Mth11/Mth Rpp29, an essential protein subunit of archaeal and eukaryotic RNase P.
Proc.Natl.Acad.Sci.Usa, 100, 2003
2N7E
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BU of 2n7e by Molmil
Solution structure of the UBL domain of yeast Ddi1
分子名称: DNA damage-inducible protein 1
著者Siva, M, Grantz Saskova, K, Veverka, V.
登録日2015-09-09
公開日2016-07-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural studies of the yeast DNA damage-inducible protein Ddi1 reveal domain architecture of this eukaryotic protein family.
Sci Rep, 6, 2016
1W0C
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Inhibition of Leishmania major pteridine reductase (PTR1) by 2,4,6-triaminoquinazoline; structure of the NADP ternary complex.
分子名称: 2,4,6-TRIAMINOQUINAZOLINE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE
著者Mcluskey, K, Gibellini, F, Carvalho, P, Avery, M, Hunter, W.
登録日2004-06-02
公開日2004-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibition of Leishmania Major Pteridine Reductase by 2,4,6-Triaminoquinazoline: Structure of the Nadph Ternary Complex
Acta Crystallogr.,Sect.D, 60, 2004
7RBX
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Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid
分子名称: 1,2-ETHANEDIOL, 2-methylidenebutanedioic acid, Isocitrase, ...
著者Seattle Structural Genomics Center for Infectious Disease, Edwards, T.E, Abendroth, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-07-06
公開日2021-10-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Aconitate decarboxylase 1 participates in the control of pulmonary Brucella infection in mice.
Plos Pathog., 17, 2021
1JW0
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Structure of cephalosporin acylase in complex with glutarate
分子名称: GLUTARIC ACID, cephalosporin acylase alpha chain, cephalosporin acylase beta chain
著者Kim, Y, Hol, W.G.J.
登録日2001-09-01
公開日2002-09-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity
CHEM.BIOL., 8, 2001

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件を2024-08-07に公開中

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