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6RZE
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BU of 6rze by Molmil
Crystal structure of E. coli Adenylate kinase R119A mutant
分子名称: Adenylate kinase, CHLORIDE ION, SODIUM ION
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2019-06-13
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Nucleation of an Activating Conformational Change by a Cation-pi Interaction.
Biochemistry, 58, 2019
4GXM
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BU of 4gxm by Molmil
OYE1-W116L in complex with aromatic product of R-carvone dismutation
分子名称: 2-methyl-5-(prop-1-en-2-yl)phenol, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ...
著者Pompeu, Y.A, Stewart, J.D.
登録日2012-09-04
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.362 Å)
主引用文献X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
ACS CATALYSIS, 3, 2013
5H3O
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BU of 5h3o by Molmil
Structure of a eukaryotic cyclic nucleotide-gated channel
分子名称: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel, SODIUM ION
著者Li, M, Zhou, X, Wang, S, Michailidis, I, Gong, Y, Su, D, Li, H, Li, X, Yang, J.
登録日2016-10-26
公開日2017-01-25
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of a eukaryotic cyclic-nucleotide-gated channel.
Nature, 542, 2017
4GXI
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BU of 4gxi by Molmil
R283K DNA polymerase beta binary complex with a templating 8OG
分子名称: DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
著者Freudenthal, B.D, Beard, W.A, Wilson, S.H.
登録日2012-09-04
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献DNA polymerase minor groove interactions modulate mutagenic bypass of a templating 8-oxoguanine lesion.
Nucleic Acids Res., 41, 2013
6BA4
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BU of 6ba4 by Molmil
Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor
分子名称: ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ...
著者Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W.
登録日2017-10-12
公開日2018-08-01
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
3D5K
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BU of 3d5k by Molmil
Crystal structure of the OprM channel in a non-symmetrical space group
分子名称: CHLORIDE ION, Outer membrane protein oprM, SODIUM ION
著者Phan, G, Broutin, I, Ducruix, A.
登録日2008-05-16
公開日2009-06-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and dynamical insights into the opening mechanism of P. aeruginosa OprM channel.
Structure, 18, 2010
6CNG
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BU of 6cng by Molmil
The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
分子名称: ACETATE ION, Fatty Acid Kinase (Fak) B3 protein, GLYCEROL, ...
著者Cuypers, M.G, Subramanian, C, White, S.W, Rock, C.O.
登録日2018-03-08
公開日2019-07-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The X-ray crystal structure of the Streptococcus pneumoniae Fatty Acid Kinase (Fak) B3 protein loaded with linoleic acid to 1.47 Angstrom resolution
To Be Published
6CR3
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BU of 6cr3 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dATP analogue
分子名称: 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*TP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5W26
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BU of 5w26 by Molmil
INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID
分子名称: (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G.
登録日2017-06-05
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018
6CPM
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BU of 6cpm by Molmil
Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S.
登録日2018-03-13
公開日2019-01-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15.
Structure, 27, 2019
5W2U
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BU of 5w2u by Molmil
INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID
分子名称: (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G.
登録日2017-06-06
公開日2018-02-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives.
J. Med. Chem., 61, 2018
6CTT
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BU of 6ctt by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (R & S isomers, beta, gamma dCTP analogue
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, 5'-O-[(R)-{[(R)-[(S)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
5ZP3
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BU of 5zp3 by Molmil
Copper amine oxidase from Arthrobacter globiformis anaerobically reduced by ethylamine at pH 10 at 288 K (1)
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Phenylethylamine oxidase, ...
著者Murakawa, T, Baba, S, Kawano, Y, Hayashi, H, Yano, T, Tanizawa, K, Kumasaka, T, Yamamoto, M, Okajima, T.
登録日2018-04-16
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献In crystallothermodynamic analysis of conformational change of the topaquinone cofactor in bacterial copper amine oxidase.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6CR5
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BU of 6cr5 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH2-beta, gamma dATP analogue
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine, DNA polymerase beta, Downstream Primer Strand, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.982 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6CTQ
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BU of 6ctq by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
6CTW
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BU of 6ctw by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CCL2, beta, gamma dCTP analogue
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 4-amino-1-{2-deoxy-5-O-[(R)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-L-threo-pentofuranosyl}pyrimidin-2(1H)-one, CHLORIDE ION, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
4BAX
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BU of 4bax by Molmil
Crystal structure of glutamine synthetase from Streptomyces coelicolor
分子名称: GLUTAMINE SYNTHETASE, SODIUM ION
著者Zeth, K.
登録日2012-09-16
公開日2013-03-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of Glutamine Synthetase from Streptomyces Coelicolor
To be Published
4J4T
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BU of 4j4t by Molmil
Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold
分子名称: 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ...
著者Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E.
登録日2013-02-07
公開日2014-07-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
4EFD
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BU of 4efd by Molmil
Crystal Structure of an M17 aminopeptidase from Trypanosoma Brucei, Tb427tmp.02.4440
分子名称: Aminopeptidase, GLYCEROL, MANGANESE (II) ION, ...
著者Wernimont, A.K, Osman, K.T, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
登録日2012-03-29
公開日2012-05-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of an M17 aminopeptidase from Trypanosoma Brucei, Tb427tmp.02.4440
To be Published
6CR8
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BU of 6cr8 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CHCL (R & S isomers), beta, gamma dATP analogue
分子名称: 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyadenosine, CHLORIDE ION, DNA polymerase beta, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-07-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
4EK4
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BU of 4ek4 by Molmil
Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
分子名称: 4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide, Cyclin-dependent kinase 2, SODIUM ION
著者Kang, Y.N, Stuckey, J.A.
登録日2012-04-09
公開日2013-05-01
最終更新日2013-05-08
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Crystal structure of the cdk2 in complex with aminopyrazole inhibitor
To be Published
4IGB
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BU of 4igb by Molmil
Crystal structure of the N-terminal domain of the Streptococcus gordonii adhesin Sgo0707
分子名称: ACETATE ION, GLYCEROL, LPXTG cell wall surface protein, ...
著者Nylander, A, Svensater, G, Senadheera, D.B, Cvitkovitch, D.G, Davies, J.R, Persson, K.
登録日2012-12-17
公開日2013-06-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural and Functional Analysis of the N-terminal Domain of the Streptococcus gordonii Adhesin Sgo0707
Plos One, 8, 2013
6CR6
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BU of 6cr6 by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CH-CH3, beta, gamma dATP analogue
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine, DNA polymerase beta, Downstream Primer Strand, ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-16
公開日2018-08-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
4IKD
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BU of 4ikd by Molmil
Crystal structure of SNX11 PX domain
分子名称: CHLORIDE ION, SODIUM ION, Sorting nexin-11
著者Xu, J, Xu, T, Liu, J.
登録日2012-12-26
公開日2013-04-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Sorting Nexin 11 (SNX11) Reveals a Novel Extended PX Domain (PXe Domain) Critical for the Inhibition of Sorting Nexin 10 (SNX10) Induced Vacuolation
to be published
6CTN
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BU of 6ctn by Molmil
Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CFCL,beta-gamma dTTP analogue
分子名称: 5'-O-[(R)-{[(R)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3'), ...
著者Batra, V.K, Wilson, S.H.
登録日2018-03-23
公開日2018-06-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018

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