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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)
Descriptor: 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
Deposit date:2021-03-10
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.065 Å)
Cite: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)
Descriptor: 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Oerlemans, R, Eris, D, Wang, M, Sharpe, M, Domling, A, Groves, M.R.
Deposit date:2021-03-12
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite: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
Descriptor: ACETATE ION, hypothetical protein Rv0793
Authors:Lemieux, M.J, Ference, C, Cherney, M.M, Wang, M, Garen, C, James, M.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-11-15
Release date:2004-12-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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'), ...
Authors:Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: DNA polymerase, GUANOSINE, SULFATE ION
Authors:Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*(DOC))-3'), ...
Authors:Wang, J, Klimenko, D, Wang, M, Steitz, T.A, Konigsberg, W.H.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, beta-D-glucopyranose
Authors:Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2012-05-08
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.52 Å)
Cite: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)
Descriptor: Papain-like protease nsp3
Authors:Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
Authors: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.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
Authors: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.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite: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
Descriptor: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
Authors: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.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite: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
Descriptor: Chromatin modification-related protein EAF3, Histone deacetylase RPD3, Transcriptional regulatory protein RCO1, ...
Authors: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.
Deposit date:2023-08-06
Release date:2023-09-13
Last modified:2023-10-18
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite: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
Descriptor: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
Authors: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.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite: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
Descriptor: 187bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
Authors: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.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite: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
Descriptor: 167bp DNA, Chromatin modification-related protein EAF3, Histone H2A, ...
Authors: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.
Deposit date:2023-08-09
Release date:2023-09-13
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Spike glycoprotein, ...
Authors:Guan, H, Wojdyla, J.A, Wang, M, Cui, S.
Deposit date:2016-07-17
Release date:2017-06-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION
Authors:Xia, L, Rajendran, C, Ruppert, M, Panjikar, S, Wang, M, Stoeckigt, J.
Deposit date:2012-05-05
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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)
Descriptor: GLYCEROL, LITHIUM ION, Non-structural protein 3, ...
Authors:Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
Deposit date:2022-10-29
Release date:2023-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite: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
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent histone deacetylase SIR2, Regulatory protein SIR4, ...
Authors:Hsu, H.C, Wang, C.L, Wang, M, Yang, N, Chen, Z, Sternglanz, R, Xu, R.M.
Deposit date:2012-12-07
Release date:2012-12-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.901 Å)
Cite: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
Descriptor: MAGNESIUM ION, Vegetative storage protein 1
Authors:Chen, Y, Wei, J, Wang, M, Gong, W, Zhang, M.
Deposit date:2012-07-05
Release date:2013-06-26
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: Histone H2A.2, Histone H2B.1, Histone H3, ...
Authors:Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.203 Å)
Cite: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
Descriptor: Leucine--tRNA ligase
Authors: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.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: 2-Cys peroxiredoxin BAS1, chloroplastic
Authors:Yang, Y, Cai, W, Wang, J, Pan, W, Liu, L, Wang, M, Zhang, M.
Deposit date:2018-05-03
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: ACETIC ACID, ISOPROPYL ALCOHOL, Regulatory protein SIR3
Authors:Yang, D, Fang, Q, Wang, M, Ren, R, Wang, H, He, M, Sun, Y, Yang, N, Xu, R.M.
Deposit date:2013-05-22
Release date:2013-08-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2013-04-12
Release date:2013-09-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013

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