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5H1M
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BU of 5h1m by Molmil
Crystal structure of WD40 repeat domains of Gemin5 in complex with M7G
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Gem-associated protein 5
著者Jin, W, Wang, Y, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M.
登録日2016-10-10
公開日2016-11-23
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5
Genes Dev., 30, 2016
1MS6
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BU of 1ms6 by Molmil
Dipeptide Nitrile Inhibitor Bound to Cathepsin S.
分子名称: Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
著者Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M.
登録日2002-09-19
公開日2003-04-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
6P7H
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BU of 6p7h by Molmil
Vaccine-elicited NHP FP-targeting neutralizing antibody DF2F-b.04 in complex with HIV fusion peptide (residue 512-519)
分子名称: Antibody DF2F-b.04 heavy chain, Antibody DF2F-b.04 light chain, HIV fusion peptide residues (512-519)
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-05
公開日2020-06-10
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
6P8D
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BU of 6p8d by Molmil
Vaccine-elicited murine FP-targeting antibody vFP6.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: Antibody VFP6.01 heavy chain, Antibody VFP6.01 light chain, HIV fusion peptide residue 512-519
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-07
公開日2020-06-10
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
6PEF
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BU of 6pef by Molmil
Vaccine-elicited NHP FP-targeting antibody DF2F-a.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide residue 512-519, antibody DF2F-a.01 heavy chain, antibody DF2F-a.01 light chain
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-20
公開日2020-06-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
6PEC
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BU of 6pec by Molmil
Vaccine-elicited NHP FP-targeting antibody DF2F-e.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV-1 fusion peptide residue 512-519, antibody heavy chain, antibody light chain
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-20
公開日2020-06-24
実験手法X-RAY DIFFRACTION (1.746 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
5GNF
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BU of 5gnf by Molmil
Crystal structure of anti-CRISPR protein AcrF3
分子名称: CALCIUM ION, Uncharacterized protein AcrF3
著者Wang, J, Wang, Y.
登録日2016-07-20
公開日2016-09-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
6PC4
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BU of 6pc4 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound ABI-274
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Kumar, G, Wang, Y, Li, W, White, S.W.
登録日2019-06-15
公開日2020-04-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Structure-Activity Relationship Study of Novel 6-Aryl-2-benzoyl-pyridines as Tubulin Polymerization Inhibitors with Potent Antiproliferative Properties.
J.Med.Chem., 63, 2020
6PDS
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BU of 6pds by Molmil
Vaccine-elicited NHP FP-targeting antibody 0PV-a.04 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV-1 fusion peptide residue 512-519, SULFATE ION, antibody 0PV-a.04 heavy chain, ...
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-19
公開日2020-06-24
実験手法X-RAY DIFFRACTION (1.893 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
5GQH
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BU of 5gqh by Molmil
Cryo-EM structure of PaeCas3-AcrF3 complex
分子名称: CRISPR-associated nuclease/helicase Cas3 subtype I-F/YPEST, anti-CRISPR protein 3
著者Zhang, X, Ma, J, Wang, Y, Wang, J.
登録日2016-08-07
公開日2016-09-21
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献A CRISPR evolutionary arms race: structural insights into viral anti-CRISPR/Cas responses
Cell Res., 26, 2016
7XMK
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BU of 7xmk by Molmil
Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923
分子名称: 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1
著者Zhang, L, Wang, Y, Li, Y, Yang, S.
登録日2022-04-26
公開日2023-04-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.376 Å)
主引用文献From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases.
J.Med.Chem., 67, 2024
3GO6
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BU of 3go6 by Molmil
Crystal Structure of M. tuberculosis ribokinase (Rv2436) in complex with ribose and AMP-PNP
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RIBOKINASE RBSK, ...
著者Masters, E.I, Sun, Y, Wang, Y, Parker, W.B, Li, R.
登録日2009-03-18
公開日2010-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure and biochemical characterization of M.tuberculosis ribokinase (Rv2436)
To be Published
6PDR
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BU of 6pdr by Molmil
Vaccine-elicited murine FP-targeting antibody vFP25.18 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide residue 512-519, antibody vFP25.18 heavy chain, antibody vFP25.18 light chain
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-19
公開日2020-06-24
実験手法X-RAY DIFFRACTION (1.555 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
3HHS
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BU of 3hhs by Molmil
Crystal Structure of Manduca sexta prophenoloxidase
分子名称: COPPER (II) ION, Phenoloxidase subunit 1, Phenoloxidase subunit 2
著者Li, Y, Wang, Y, Jiang, H, Deng, J.
登録日2009-05-17
公開日2009-09-29
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes.
Proc.Natl.Acad.Sci.USA, 106, 2009
6PDU
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BU of 6pdu by Molmil
Vaccine-elicited NHP FP-targeting antibody 13N024-a.01 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV-1 fusion peptide residue 512-519, antibody 13N024-a.01, heavy chain, ...
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-19
公開日2020-06-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
5KJS
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BU of 5kjs by Molmil
Crystal Structure of Arabidopsis thaliana HCT
分子名称: Shikimate O-hydroxycinnamoyltransferase
著者Levsh, O, Chiang, Y.C, Tung, C, Noel, J.P, Wang, Y, Weng, J.K.
登録日2016-06-20
公開日2016-11-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.203 Å)
主引用文献Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
5KJV
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BU of 5kjv by Molmil
Crystal structure of Coleus blumei HCT
分子名称: Hydroxycinnamoyl transferase
著者Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K.
登録日2016-06-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
6QGK
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BU of 6qgk by Molmil
Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound
分子名称: 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGD
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BU of 6qgd by Molmil
Structure of human Mcl-1 in complex with thienopyrimidine inhibitor
分子名称: 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ...
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QGG
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BU of 6qgg by Molmil
Structure of human Bcl-2 in complex with analogue of ABT-737
分子名称: Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-11
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
5KJT
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BU of 5kjt by Molmil
Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroyl-CoA
分子名称: Shikimate O-hydroxycinnamoyltransferase, p-coumaroyl-CoA
著者Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K.
登録日2016-06-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
5KJW
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BU of 5kjw by Molmil
Crystal structure of Coleus blumei HCT in complex with 3-hydroxyacetophenone
分子名称: 1-(3-hydroxyphenyl)ethanone, Hydroxycinnamoyl transferase
著者Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K.
登録日2016-06-20
公開日2016-11-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
5KJU
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BU of 5kju by Molmil
Crystal structure of Arabidopsis thaliana HCT in complex with p-coumaroylshikimate
分子名称: (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid, Shikimate O-hydroxycinnamoyltransferase
著者Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K.
登録日2016-06-20
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase.
Biochemistry, 55, 2016
6QFI
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BU of 6qfi by Molmil
Structure of human Mcl-1 in complex with BIM BH3 peptide
分子名称: Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
6QFQ
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BU of 6qfq by Molmil
Structure of human Mcl-1 in complex with indole acid inhibitor
分子名称: 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E.
登録日2019-01-10
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019

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