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2JQC
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BU of 2jqc by Molmil
A L-amino acid mutant of a D-amino acid containing conopeptide
分子名称: L-mr12
著者Huang, F, Du, W, Han, Y, Wang, C, Chi, C.
登録日2007-05-31
公開日2008-04-15
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Purification and structural characterization of a d-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Febs J., 275, 2008
6J6M
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BU of 6j6m by Molmil
Co-crystal structure of BTK kinase domain with Zanubrutinib
分子名称: (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK
著者Zhou, X, Hong, Y.
登録日2019-01-15
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
7CHF
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BU of 7chf by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-604 Fab and BD-368-2 Fab
分子名称: BD-368-2 Fab heavy chain, BD-368-2 Fab light chain, BD-604 Fab heavy chain, ...
著者Xiao, J, Zhu, Q.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.674 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHH
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BU of 7chh by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with BD-368-2 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-368-2 Fab heavy chain, ...
著者Xiao, J, Zhu, Q, Wang, G.
登録日2020-07-05
公開日2020-09-16
最終更新日2020-11-25
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHE
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BU of 7che by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab and BD-368-2 Fab
分子名称: BD-236 Fab heavy chain, BD-236 Fab light chain, BD-368-2 Fab heavy chain, ...
著者Xiao, J, Zhu, Q.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.416 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHB
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BU of 7chb by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-236 Fab heavy chain, BD-236 Fab light chain, ...
著者Xiao, J, Zhu, Q.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
2P5B
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BU of 2p5b by Molmil
The complex structure of JMJD2A and trimethylated H3K36 peptide
分子名称: FE (II) ION, Histone H3, JmjC domain-containing histone demethylation protein 3A, ...
著者Zhang, G, Chen, Z, Zang, J, Hong, X, Shi, Y.
登録日2007-03-14
公開日2007-06-12
最終更新日2013-11-27
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of the recognition of a methylated histone tail by JMJD2A.
Proc.Natl.Acad.Sci.USA, 104, 2007
2PXJ
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BU of 2pxj by Molmil
The complex structure of JMJD2A and monomethylated H3K36 peptide
分子名称: FE (II) ION, JmjC domain-containing histone demethylation protein 3A, N-OXALYLGLYCINE, ...
著者Chen, Z, Zang, J, Kappler, J, Hong, X, Crawford, F, Zhang, G.
登録日2007-05-14
公開日2007-06-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the recognition of a methylated histone tail by JMJD2A
Proc.Natl.Acad.Sci.Usa, 104, 2007
5H0N
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BU of 5h0n by Molmil
Crystal structure of HIV-1 fusion inhibitor MT-WQ-IDL bound to gp41 NHR
分子名称: HIV-1 fusion inhibitor MT-WQ-IDL, HIV-1 gp41 NHR
著者Zhu, Y, Ye, S, Zhang, R.
登録日2016-10-06
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Creating an Artificial Tail Anchor as a Novel Strategy To Enhance the Potency of Peptide-Based HIV Fusion Inhibitors
J. Virol., 91, 2017
4QR5
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BU of 4qr5 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR3
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BU of 4qr3 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.374 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
8J5J
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BU of 8j5j by Molmil
The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43
著者Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H.
登録日2023-04-23
公開日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
7QHN
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BU of 7qhn by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor
分子名称: 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1
著者Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
登録日2021-12-13
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7QH8
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BU of 7qh8 by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE
分子名称: GLYCEROL, LYSINE, Lysine--tRNA ligase 1
著者Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
登録日2021-12-10
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7QI8
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CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR
分子名称: 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1
著者Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
登録日2021-12-14
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
分子名称: Capsid protein VP1
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (2.27 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
分子名称: Capsid protein
著者Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
登録日2021-07-22
公開日2021-08-04
最終更新日2021-10-06
実験手法ELECTRON MICROSCOPY (2.32 Å)
主引用文献Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
分子名称: BD-604 Fab H, BD-604 Fab L, Spike protein S1
著者Du, S, Xiao, J.Y.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
分子名称: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
著者Du, S, Xiao, J.Y.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
分子名称: BD-629 Fab H, BD-629 Fab L, Spike protein S1
著者Du, S, Xiao, J.Y.
登録日2020-07-05
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
5GV2
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BU of 5gv2 by Molmil
Crystal structure of Arginine-bound CASTOR1 from Homo sapiens
分子名称: ARGININE, GATS-like protein 3, MAGNESIUM ION
著者Gai, Z.C, Wu, G.
登録日2016-09-01
公開日2017-09-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural mechanism for the arginine sensing and regulation of CASTOR1 in the mTORC1 signaling pathway
Cell Discov, 2, 2016
8WH5
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BU of 8wh5 by Molmil
Structure of DDM1-nucleosome complex in the apo state
分子名称: ATP-dependent DNA helicase DDM1, DNA (antisense strand), DNA (sense strand), ...
著者Liu, Y, Zhang, Z, Du, J.
登録日2023-09-22
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
8WH8
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Structure of DDM1-nucleosome complex in ADP state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase DDM1, DNA (antisense strand), ...
著者Liu, Y, Zhang, Z, Du, J.
登録日2023-09-22
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024
8WHB
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Structure of nucleosome core particle of Arabidopsis thaliana
分子名称: DNA (antisense strand), DNA (sense strand), Histone H2A.6, ...
著者Liu, Y, Zhang, Z, Du, J.
登録日2023-09-23
公開日2024-04-17
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献Molecular basis of chromatin remodelling by DDM1 involved in plant DNA methylation.
Nat.Plants, 10, 2024

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