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3UB0
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BU of 3ub0 by Molmil
Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus
分子名称: Non-structural protein 6, nsp6,, Non-structural protein 7, ...
著者Xiao, Y, Hilgenfeld, R, Ma, Q.
登録日2011-10-22
公開日2012-02-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012
2C1Y
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BU of 2c1y by Molmil
Structure of PDI-related Chaperone, Wind mutant-Y55K
分子名称: WINDBEUTEL PROTEIN
著者Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
登録日2005-09-22
公開日2006-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
2C0G
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BU of 2c0g by Molmil
Structure of PDI-related Chaperone, Wind mutant-Y53S
分子名称: CHLORIDE ION, SODIUM ION, WINDBEUTEL PROTEIN
著者Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
登録日2005-09-02
公開日2006-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
2C0F
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BU of 2c0f by Molmil
Structure of Wind Y53F mutant
分子名称: WINDBEUTEL PROTEIN
著者Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
登録日2005-09-02
公開日2006-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
2C0E
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BU of 2c0e by Molmil
Structure of PDI-related Chaperone, Wind with his-tag on C-terminus.
分子名称: WINDBEUTEL PROTEIN
著者Sevvana, M, Ma, Q, Barnewitz, K, Guo, C, Soling, H.-D, Ferrari, D.M, Sheldrick, G.M.
登録日2005-09-01
公開日2006-08-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural Elucidation of the Pdi-Related Chaperone Wind with the Help of Mutants.
Acta Crystallogr.,Sect.D, 62, 2006
5N19
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BU of 5n19 by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, DIMETHYL SULFOXIDE, SARS coronavirus main protease
著者Zhang, L, Ma, Q, Hilgenfeld, R.
登録日2017-02-05
公開日2018-02-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5WXV
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BU of 5wxv by Molmil
The crystal structure of VabB-ICL domain from Vibrio anguillarum 775
分子名称: Isochorismate lyase
著者Du, J, Ma, Q.
登録日2017-01-09
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structures of isochorismatase domains from Vibrio anguillarum 775
To Be Published
4P16
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BU of 4p16 by Molmil
Crystal structure of the papain-like protease of Middle-East Respiratory Syndrome coronavirus
分子名称: ORF1a, ZINC ION
著者Lei, J, Mesters, J.R, Ma, Q, Hilgenfeld, R.
登録日2014-02-25
公開日2014-05-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the papain-like protease of MERS coronavirus reveals unusual, potentially druggable active-site features.
Antiviral Res., 109C, 2014
8HKD
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BU of 8hkd by Molmil
Crystal structure of P450BSbeta-L78G/Q85F/F173S/G290I variant in complex with palmitoleic acid
分子名称: DI(HYDROXYETHYL)ETHER, Fatty-acid peroxygenase, PALMITOLEIC ACID, ...
著者He, C, Wang, X, Li, F.
登録日2022-11-25
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Biocatalytic enantioselective gamma-C-H lactonization of aliphatic carboxylic acids
Nat Synth, 2023
8IGO
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BU of 8igo by Molmil
Crystal structure of apo SARS-CoV-2 main protease
分子名称: 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8IGN
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BU of 8ign by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with RAY1216
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5
著者Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X.
登録日2023-02-21
公開日2023-04-05
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
8WOI
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BU of 8woi by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the apo state
分子名称: ABC transporter B family member 19
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-07
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOO
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BU of 8woo by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide and AMP-PNP bound state
分子名称: ABC transporter B family member 19, Brassinolide, MAGNESIUM ION, ...
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-07
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WP0
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BU of 8wp0 by Molmil
Structure of the Arabidopsis E529Q/E1174Q ABCB19 in the ATP bound state
分子名称: ABC transporter B family member 19, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-08
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
8WOM
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BU of 8wom by Molmil
Structure of the wild-type Arabidopsis ABCB19 in the brassinolide-bound state
分子名称: ABC transporter B family member 19, Brassinolide
著者Ying, W, Wei, H, Liu, X, Sun, L.
登録日2023-10-07
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and function of the Arabidopsis ABC transporter ABCB19 in brassinosteroid export.
Science, 383, 2024
5NH0
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BU of 5nh0 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)b- utan-2-yl)carbamate (tert-butyl -GlnLactam-CO-CO-NH-benzyl)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Zhang, L, Hilgenfeld, R.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5N5O
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BU of 5n5o by Molmil
Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide, Replicase polyprotein 1ab
著者Zhang, L, Hilgenfeld, R.
登録日2017-02-14
公開日2018-03-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
5C3U
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BU of 5c3u by Molmil
Crystal structure of a fungal L-serine ammonia-lyase from Rhizomucor miehei
分子名称: L-serine ammonia-lyase, PYRIDOXAL-5'-PHOSPHATE
著者Zhen, Q, Qiaojuan, Y, Shaoqing, Y, Zhengqiang, J.
登録日2015-06-17
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structure and characterization of a novel l-serine ammonia-lyase from Rhizomucor miehei.
Biochem.Biophys.Res.Commun., 466, 2015
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
著者Zhang, L, Hilgenfeld, R.
登録日2018-02-28
公開日2019-03-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
3FFN
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BU of 3ffn by Molmil
Crystal structure of calcium-free human gelsolin
分子名称: Gelsolin
著者Chumnarnsilpa, S, Robinson, R.C, Burtnick, L.D.
登録日2008-12-04
公開日2009-10-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ca2+ binding by domain 2 plays a critical role in the activation and stabilization of gelsolin.
Proc.Natl.Acad.Sci.USA, 106, 2009
3FFK
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BU of 3ffk by Molmil
Crystal structure of human Gelsolin domains G1-G3 bound to Actin
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, actin, ...
著者Chumnarnsilpa, S, Robinson, R.C, Burtnick, L.D.
登録日2008-12-03
公開日2009-10-06
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Ca2+ binding by domain 2 plays a critical role in the activation and stabilization of gelsolin.
Proc.Natl.Acad.Sci.USA, 106, 2009
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.575 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
著者Li, G.-B, Liu, S.
登録日2019-01-21
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.787 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6JN4
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BU of 6jn4 by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
分子名称: ACETATE ION, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019

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