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7DOR
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BU of 7dor by Molmil
E. coli GyrB ATPase domain in complex with 4-nitropheno
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ...
著者Yu, Y, Zhou, H.
登録日2020-12-16
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPR
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BU of 7dpr by Molmil
E. coli GyrB ATPase domain in complex with methyl 3,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-21
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DPS
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BU of 7dps by Molmil
E. coli GyrB ATPase domain in complex with Methyl 4-hydroxycinnamate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-21
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQH
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BU of 7dqh by Molmil
E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQI
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BU of 7dqi by Molmil
E. coli GyrB ATPase domain in complex with Esculetin
分子名称: 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQJ
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BU of 7dqj by Molmil
E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone
分子名称: 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQF
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BU of 7dqf by Molmil
E. coli GyrB ATPase domain in complex with methyl 2,4-dihydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-23
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQU
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BU of 7dqu by Molmil
E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate
分子名称: 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQL
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BU of 7dql by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol
分子名称: 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQM
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BU of 7dqm by Molmil
E. coli GyrB ATPase domain in complex with Naringenin
分子名称: 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQS
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BU of 7dqs by Molmil
E. coli GyrB ATPase domain in complex with 2-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
7DQW
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BU of 7dqw by Molmil
E. coli GyrB ATPase domain in complex with 4-chlorophenol
分子名称: 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ...
著者Yu, Y, Zhou, H.
登録日2020-12-24
公開日2021-10-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
4MKI
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BU of 4mki by Molmil
Cobalt transporter ATP-binding subunit
分子名称: DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION
著者Yu, Y, Zhang, L, Chai, C.L, Heymann, D.
登録日2013-09-05
公開日2013-10-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for a homodimeric ATPase subunit of an ECF transporter
Protein Cell, 4, 2013
5JWA
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BU of 5jwa by Molmil
the structure of malaria PfNDH2
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J.
登録日2016-05-11
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5JWC
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BU of 5jwc by Molmil
Structure of NDH2 from plasmodium falciparum in complex with RYL-552
分子名称: 5-fluoro-3-methyl-2-{4-[4-(trifluoromethoxy)benzyl]phenyl}quinolin-4(1H)-one, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Yu, Y.
登録日2016-05-12
公開日2017-03-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
5JWB
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BU of 5jwb by Molmil
Structure of NDH2 from plasmodium falciparum in complex with NADH
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Yu, Y, Li, X.L.
登録日2016-05-12
公開日2017-03-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
7XRJ
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BU of 7xrj by Molmil
crystal structure of N-acetyltransferase DgcN-25328
分子名称: Putative NAD-dependent epimerase/dehydratase family protein, SULFATE ION
著者Zhang, Y.Z, Yu, Y, Cao, H.Y, Chen, X.L, Wang, P.
登録日2022-05-10
公開日2023-02-01
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel D-glutamate catabolic pathway in marine Proteobacteria and halophilic archaea.
Isme J, 17, 2023
8T8E
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BU of 8t8e by Molmil
cryoEM structure of Smc5/6 5mer
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 5, Structural maintenance of chromosomes protein 6
著者Yu, Y, Patel, D.J.
登録日2023-06-22
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T8F
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BU of 8t8f by Molmil
Smc5/6 8mer
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 4, Non-structural maintenance of chromosome element 5, ...
著者Yu, Y, Patel, D.J.
登録日2023-06-22
公開日2023-11-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Molecular basis for Nse5-6 mediated regulation of Smc5/6 functions.
Proc.Natl.Acad.Sci.USA, 120, 2023
8T66
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BU of 8t66 by Molmil
cA6 bound Cam1
分子名称: Cam1, RNA (5'-R(P*AP*AP*AP*AP*A)-3')
著者Yu, Y, Patel, D.J.
登録日2023-06-15
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
8T64
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BU of 8t64 by Molmil
Apo Cam1(42-206)
分子名称: Cam1
著者Yu, Y, Patel, D.J.
登録日2023-06-15
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
8T65
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BU of 8t65 by Molmil
cA4 bound Cam1
分子名称: Cam1, RNA (5'-R(P*AP*AP*AP*A)-3')
著者Yu, Y, Patel, D.J.
登録日2023-06-15
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
分子名称: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
登録日2024-02-07
公開日2024-03-20
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
2BB0
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BU of 2bb0 by Molmil
Structure of Imidazolonepropionase from Bacillus subtilis
分子名称: ACETATE ION, Imidazolonepropionase, ZINC ION
著者Liang, Y.H, Yu, Y, Su, X.D.
登録日2005-10-16
公開日2006-09-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis
J.Biol.Chem., 281, 2006
5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
著者Yu, Y, Li, B, Chen, Q.
登録日2017-04-24
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017

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件を2024-10-30に公開中

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