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4LWI
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BU of 4lwi by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ6
分子名称: Heat shock protein HSP 90-alpha, N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4LWF
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BU of 4lwf by Molmil
Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3
分子名称: 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Li, J, Shi, F, Xiong, B, He, J.
登録日2013-07-27
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Eur.J.Med.Chem., 87, 2014
4JKZ
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BU of 4jkz by Molmil
Crystal structure of ms6564 from mycobacterium smegmatis
分子名称: Transcriptional regulator, TetR family
著者Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H.
登録日2013-03-12
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
4JL3
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BU of 4jl3 by Molmil
Crystal structure of ms6564-dna complex
分子名称: DNA (31-MER), Transcriptional regulator, TetR family
著者Yang, S.F, Gao, Z.Q, He, Z.G, Dong, Y.H.
登録日2013-03-12
公開日2013-06-26
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for interaction between Mycobacterium smegmatis Ms6564, a TetR family master regulator, and its target DNA.
J.Biol.Chem., 288, 2013
2YBK
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BU of 2ybk by Molmil
JMJD2A COMPLEXED WITH R-2-HYDROXYGLUTARATE
分子名称: (2R)-2-hydroxypentanedioic acid, CHLORIDE ION, LYSINE-SPECIFIC DEMETHYLASE 4A, ...
著者Chowdhury, R, McDonough, M.A, Schofield, C.J.
登録日2011-03-08
公開日2011-04-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The oncometabolite 2-hydroxyglutarate inhibits histone lysine demethylases.
EMBO Rep., 12, 2011
6J2W
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BU of 6j2w by Molmil
The structure of OBA3-OTA complex
分子名称: DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine
著者Xu, G.H, Li, C.G.
登録日2019-01-03
公開日2019-02-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure-guided post-SELEX optimization of an ochratoxin A aptamer.
Nucleic Acids Res., 47, 2019
8Q71
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BU of 8q71 by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GC-67
分子名称: (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5
著者Strater, N, Muller, C.E, Sylvester, K, Weisse, R.H, Useini, A, Gao, S, Song, L, Liu, Z, Zhan, P.
登録日2023-08-15
公開日2023-12-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.322 Å)
主引用文献Design, Synthesis, and Biological Evaluation of Trisubstituted Piperazine Derivatives as Noncovalent Severe Acute Respiratory Syndrome Coronavirus 2 Main Protease Inhibitors with Improved Antiviral Activity and Favorable Druggability.
J.Med.Chem., 66, 2023
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
6JLC
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BU of 6jlc by Molmil
Structure determination of CAMP factor of Mobiluncus curtisii and insight into structural dynamics
分子名称: ACETATE ION, CAMP factor
著者Jin, T.C, Zeng, W.H.
登録日2019-03-04
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Structure determination of CAMP factor of Mobiluncus curtisii and insights into structural dynamics.
Int.J.Biol.Macromol., 150, 2020
6IEC
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BU of 6iec by Molmil
Structure of RVFV Gn and human monoclonal antibody R17
分子名称: NSmGnGc, R17 H chain, R17 L chain
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEA
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BU of 6iea by Molmil
Structure of RVFV Gn and human monoclonal antibody R13
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, NSmGnGc, ...
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEK
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BU of 6iek by Molmil
Structure of RVFV Gn and human monoclonal antibody R12
分子名称: Heavy chain of Fab R12, Light chain of Fab R12, NSmGnGc
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-14
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6IEB
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BU of 6ieb by Molmil
Structure of RVFV Gn and human monoclonal antibody R15
分子名称: NSmGnGc, R15 H chain, R15 L chain
著者Wang, Q.H, Wu, Y, Gao, F, Qi, J.X, Gao, G.F.
登録日2018-09-13
公開日2019-04-10
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.409 Å)
主引用文献Neutralization mechanism of human monoclonal antibodies against Rift Valley fever virus.
Nat Microbiol, 4, 2019
6LNL
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BU of 6lnl by Molmil
ASFV core shell protein p15
分子名称: 60 kDa polyprotein
著者Guo, F, Shi, Y, Peng, G.
登録日2019-12-30
公開日2020-12-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9286 Å)
主引用文献The structural basis of African swine fever virus core shell protein p15 binding to DNA.
Faseb J., 35, 2021
6JDR
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BU of 6jdr by Molmil
Crystal structure of methylated PRRSV nsp10 (helicase)
分子名称: PP1b, SULFATE ION, ZINC ION
著者Deng, Z, Tang, C, Chen, Z.
登録日2019-02-02
公開日2020-02-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
7V1Z
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BU of 7v1z by Molmil
human Serine beta-lactamase-like protein LACTB
分子名称: Serine beta-lactamase-like protein LACTB, mitochondrial
著者Zhang, M.H, Yang, M.J.
登録日2021-08-07
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB.
Structure, 30, 2022
7V1Y
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BU of 7v1y by Molmil
Serine beta-lactamase-like protein LACTB in complex with inhibitor
分子名称: ALA-ALA-B3S, Serine beta-lactamase-like protein LACTB, mitochondrial
著者Zhang, M.H, Yang, M.J.
登録日2021-08-07
公開日2022-02-16
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.82 Å)
主引用文献Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB.
Structure, 30, 2022
7V21
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BU of 7v21 by Molmil
human Serine beta-lactamase-like protein LACTB truncation variant
分子名称: Serine beta-lactamase-like protein LACTB, mitochondrial
著者Zhang, M.H, Yang, M.J.
登録日2021-08-07
公開日2022-02-16
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structural basis for the catalytic activity of filamentous human serine beta-lactamase-like protein LACTB.
Structure, 30, 2022
8WJQ
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BU of 8wjq by Molmil
Cryo-EM structure of URAT1(R477S)-Urate complex
分子名称: Solute carrier family 22 member 12, URIC ACID
著者Qian, H.W, He, J.J.
登録日2023-09-26
公開日2024-08-28
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
8WJH
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BU of 8wjh by Molmil
Cryo-EM structure of OAT4
分子名称: CHLORIDE ION, Solute carrier family 22 member 11
著者Qian, H.W, He, J.J.
登録日2023-09-26
公開日2024-08-28
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
8WJG
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BU of 8wjg by Molmil
Cryo-EM structure of URAT1(R477S)
分子名称: Solute carrier family 22 member 12
著者Qian, H.W, He, J.J.
登録日2023-09-25
公開日2024-08-28
最終更新日2024-09-04
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the transport and substrate selection of human urate transporter 1.
Cell Rep, 43, 2024
6LJ9
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BU of 6lj9 by Molmil
Crystal Structure of Se-Met ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.307 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
6LJB
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Crystal Structure of ASFV pS273R protease
分子名称: Cysteine protease S273R
著者Li, G.B, Liu, X.X, Chen, C, Guo, Y.
登録日2019-12-13
公開日2020-02-26
最終更新日2020-05-13
実験手法X-RAY DIFFRACTION (2.487 Å)
主引用文献Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
6KZ6
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BU of 6kz6 by Molmil
Crystal structure of ASFV dUTPase
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R, MAGNESIUM ION
著者Guo, Y, Chen, C, Li, G.B, Cao, L, Wang, C.W.
登録日2019-09-23
公開日2019-11-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.187 Å)
主引用文献Structural Insight into African Swine Fever Virus dUTPase Reveals a Novel Folding Pattern in the dUTPase Family.
J.Virol., 94, 2020

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