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7NTV
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BU of 7ntv by Molmil
Crystal structure of SARS CoV2 main protease in complex with DN_EG_002 (modelled using PanDDA event map)
分子名称: 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
登録日2021-03-10
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.065 Å)
主引用文献Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NUK
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BU of 7nuk by Molmil
Crystal structure of SARS CoV2 main protease in complex with EG009 (modelled using PanDDA event map)
分子名称: 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
登録日2021-03-12
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Combining High-Throughput Synthesis and High-Throughput Protein Crystallography for Accelerated Hit Identification.
Angew.Chem.Int.Ed.Engl., 60, 2021
1Y0H
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BU of 1y0h by Molmil
Structure of Rv0793 from Mycobacterium tuberculosis
分子名称: ACETATE ION, hypothetical protein Rv0793
著者Lemieux, M.J, Ference, C, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
登録日2004-11-15
公開日2004-12-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Rv0793, a hypothetical monooxygenase from M. tuberculosis
J.STRUCT.FUNCT.GENOM., 6, 2005
3CFP
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BU of 3cfp by Molmil
Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 1
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DCP*DG)-3'), ...
著者Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
登録日2008-03-04
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
3CFO
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BU of 3cfo by Molmil
Triple Mutant APO structure
分子名称: DNA polymerase, GUANOSINE, SULFATE ION
著者Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
登録日2008-03-04
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
3CFR
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BU of 3cfr by Molmil
Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary complex 2
分子名称: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*(DOC))-3'), ...
著者Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
登録日2008-03-04
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Insights into base selectivity from the structures of an RB69 DNA Polymerase triple mutant
To be Published
4ATL
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BU of 4atl by Molmil
Crystal structure of Raucaffricine glucosidase in complex with Glucose
分子名称: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose
著者Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2012-05-08
公開日2013-01-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
8GQC
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BU of 8gqc by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution)
分子名称: Papain-like protease nsp3
著者Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
登録日2022-08-30
公開日2023-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
8KD3
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BU of 8kd3 by Molmil
Rpd3S in complex with nucleosome with H3K36MLA modification, H3K9Q mutation and 187bp DNA
分子名称: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
8KD2
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BU of 8kd2 by Molmil
Rpd3S in complex with 187bp nucleosome
分子名称: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
8KD5
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BU of 8kd5 by Molmil
Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class2
分子名称: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
8KC7
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BU of 8kc7 by Molmil
Rpd3S histone deacetylase complex
分子名称: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J.
登録日2023-08-06
公開日2023-09-13
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
8KD4
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BU of 8kd4 by Molmil
Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class1
分子名称: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
8KD6
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BU of 8kd6 by Molmil
Rpd3S in complex with nucleosome with H3K36MLA modification and 187bp DNA, class3
分子名称: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Zhang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
8KD7
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BU of 8kd7 by Molmil
Rpd3S in complex with nucleosome with H3K36MLA modification and 167bp DNA
分子名称: 167bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
著者Dong, S, Li, H, Wang, M, Rasheed, N, Zou, B, Gao, X, Guan, J, Li, W, Zhang, J, Wang, C, Zhou, N, Shi, X, Li, M, Zhou, M, Huang, J, Li, H, Zhang, Y, Wong, K.H, Chang, X, Chao, W.C.H, He, J.
登録日2023-08-09
公開日2023-09-13
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Structural basis of nucleosome deacetylation and DNA linker tightening by Rpd3S histone deacetylase complex.
Cell Res., 33, 2023
5KWB
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BU of 5kwb by Molmil
Crystal Structure of the Receptor Binding Domain of the Spike Glycoprotein of Human Betacoronavirus HKU1 (HKU1 1A-CTD, 1.9 angstrom, molecular replacement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Spike glycoprotein, ...
著者Guan, H, Wojdyla, J.A, Wang, M, Cui, S.
登録日2016-07-17
公開日2017-06-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of the receptor binding domain of the spike glycoprotein of human betacoronavirus HKU1
Nat Commun, 8, 2017
4ATD
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BU of 4atd by Molmil
Crystal structure of native Raucaffricine glucosidase
分子名称: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
著者Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
登録日2012-05-05
公開日2013-01-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High Speed X-Ray Analysis of Plant Enzymes at Room Temperature
Phytochemistry, 91, 2013
8HBL
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BU of 8hbl by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.58 angstrom resolution)
分子名称: GLYCEROL, LITHIUM ION, Non-structural protein 3, ...
著者Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
登録日2022-10-29
公開日2023-07-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
4IAO
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BU of 4iao by Molmil
Crystal structure of Sir2 C543S mutant in complex with SID domain of Sir4
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent histone deacetylase SIR2, Regulatory protein SIR4, ...
著者Hsu, H.C, Wang, C.L, Wang, M, Yang, N, Chen, Z, Sternglanz, R, Xu, R.M.
登録日2012-12-07
公開日2012-12-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.901 Å)
主引用文献Structural basis for allosteric stimulation of Sir2 activity by Sir4 binding
Genes Dev., 27, 2013
4FYP
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BU of 4fyp by Molmil
Crystal Structure of Plant Vegetative Storage Protein
分子名称: MAGNESIUM ION, Vegetative storage protein 1
著者Chen, Y, Wei, J, Wang, M, Gong, W, Zhang, M.
登録日2012-07-05
公開日2013-06-26
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The crystal structure of Arabidopsis VSP1 reveals the plant class C-like phosphatase structure of the DDDD superfamily of phosphohydrolases
Plos One, 7, 2012
4KUD
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BU of 4kud by Molmil
Crystal structure of N-terminal acetylated Sir3 BAH domain D205N mutant in complex with yeast nucleosome core particle
分子名称: Histone H2A.2, Histone H2B.1, Histone H3, ...
著者Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
登録日2013-05-22
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain.
Nat.Struct.Mol.Biol., 20, 2013
4K48
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BU of 4k48 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain
分子名称: Leucine--tRNA ligase
著者Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
登録日2013-04-12
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
5ZTE
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BU of 5zte by Molmil
Crystal structure of PrxA C119S mutant from Arabidopsis thaliana
分子名称: 2-Cys peroxiredoxin BAS1, chloroplastic
著者Yang, Y, Cai, W, Wang, J, Pan, W, Liu, L, Wang, M, Zhang, M.
登録日2018-05-03
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Arabidopsis thaliana peroxiredoxin A C119S mutant.
Acta Crystallogr F Struct Biol Commun, 74, 2018
4KUI
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BU of 4kui by Molmil
Crystal structure of N-terminal acetylated yeast Sir3 BAH domain
分子名称: ACETIC ACID, ISOPROPYL ALCOHOL, Regulatory protein SIR3
著者Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
登録日2013-05-22
公開日2013-08-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N alpha-acetylated Sir3 stabilizes the conformation of a nucleosome-binding loop in the BAH domain.
Nat.Struct.Mol.Biol., 20, 2013
4K47
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BU of 4k47 by Molmil
Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct
分子名称: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate
著者Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D.
登録日2013-04-12
公開日2013-09-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013

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