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8UVK
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BU of 8uvk by Molmil
CosR DNA bound form II
分子名称: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*TP*TP*AP*TP*TP*AP*AP*CP*CP*AP*A)-3'), DNA (5'-D(*TP*TP*GP*GP*TP*TP*AP*AP*TP*AP*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*T)-3'), ...
著者Zhang, Z.
登録日2023-11-03
公開日2024-01-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UUZ
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BU of 8uuz by Molmil
Campylobacter jejuni CosR apo form
分子名称: DNA-binding response regulator
著者Zhang, Z.
登録日2023-11-02
公開日2024-01-31
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
8UVX
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BU of 8uvx by Molmil
CosR DNA bound form I
分子名称: DNA (5'-D(*AP*TP*AP*TP*CP*TP*TP*AP*AP*TP*TP*TP*TP*GP*GP*TP*TP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*AP*AP*CP*CP*AP*AP*AP*AP*TP*TP*AP*AP*GP*AP*TP*AP*T)-3'), DNA-binding response regulator
著者Zhang, Z.
登録日2023-11-05
公開日2024-01-31
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis of DNA recognition of the Campylobacter jejuni CosR regulator.
Mbio, 15, 2024
7F3B
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BU of 7f3b by Molmil
cocrystallization of Escherichia coli dihydrofolate reductase (DHFR) and its pyrrolo[3,2-f]quinazoline inhibitor.
分子名称: 7-[(2-fluorophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine, Dihydrofolate reductase, GLYCEROL
著者Wang, H, You, X.F, Yang, X.Y, Li, Y, Hong, W.
登録日2021-06-16
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献The discovery of 1, 3-diamino-7H-pyrrol[3, 2-f]quinazoline compounds as potent antimicrobial antifolates.
Eur.J.Med.Chem., 228, 2022
8HEV
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BU of 8hev by Molmil
C12 portal in HCMV B-capsid
分子名称: Portal protein, Unknown peptide
著者Li, Z, Yu, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEU
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BU of 8heu by Molmil
C12 portal in HCMV A-capsid
分子名称: Portal protein
著者Li, Z, Yu, X.
登録日2022-11-08
公開日2023-04-26
最終更新日2023-10-04
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEY
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BU of 8hey by Molmil
One CVSC-binding penton vertex in HCMV B-capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ...
著者Li, Z, Yu, X.
登録日2022-11-09
公開日2023-11-01
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
8HEX
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BU of 8hex by Molmil
C5 portal vertex in HCMV B-capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Major capsid protein, ...
著者Li, Z, Yu, X.
登録日2022-11-08
公開日2023-11-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-electron microscopy structures of capsids and in situ portals of DNA-devoid capsids of human cytomegalovirus.
Nat Commun, 14, 2023
3GX9
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BU of 3gx9 by Molmil
Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase
著者Lafite, P, Scrutton, N.S, Leys, D.
登録日2009-04-02
公開日2009-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009
3KFT
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BU of 3kft by Molmil
Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1,4,5,6-tetrahydro NADH
分子名称: FLAVIN MONONUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Pentaerythritol tetranitrate reductase
著者Pudney, C.R, Levy, C.W, Leys, D, Scrutton, N.S.
登録日2009-10-28
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction.
J.Am.Chem.Soc., 131, 2009
7ETM
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BU of 7etm by Molmil
C6 portal vertex in the enveloped virion capsid
分子名称: Portal protein
著者Li, Z, Yu, X.
登録日2021-05-13
公開日2021-07-14
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
7ETJ
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BU of 7etj by Molmil
C5 portal vertex in the partially-enveloped virion capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2021-05-13
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
7ET2
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BU of 7et2 by Molmil
Human Cytomegalovirus, C12 portal
分子名称: Portal protein
著者Li, Z, Yu, X.
登録日2021-05-12
公開日2021-07-14
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
7ETO
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BU of 7eto by Molmil
C1 CVSC-binding penton vertex in the virion capsid of Human Cytomegalovirus
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2021-05-13
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
7ET3
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BU of 7et3 by Molmil
C5 portal vertex in the enveloped virion capsid
分子名称: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
著者Li, Z, Yu, X.
登録日2021-05-12
公開日2021-07-14
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis for genome packaging, retention, and ejection in human cytomegalovirus.
Nat Commun, 12, 2021
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
7OO5
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BU of 7oo5 by Molmil
Crystal structure of the lignin peroxidase (ApeLiP) from Agrocybe pediades
分子名称: CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
著者Romero, A, Ruiz-Duenas, F.J.
登録日2021-05-26
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Agaricales Mushroom Lignin Peroxidase: From Structure-Function to Degradative Capabilities.
Antioxidants, 10, 2021
6B3W
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BU of 6b3w by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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