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7ORR
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BU of 7orr by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00022
分子名称: 4-PHENYL-1H-IMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORV
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BU of 7orv by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00239
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORU
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BU of 7oru by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00221
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
7ORW
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BU of 7orw by Molmil
Non-structural protein 10 (nsp10) from SARS CoV-2 in complex with fragment VT00265
分子名称: 1H-benzimidazol-4-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Talibov, V.O, Kozielski, F, Sele, C, Lou, J, Dong, D, Wang, Q, Shi, X, Nyblom, M, Rogstam, A, Krojer, T, Knecht, W, Fisher, S.Z.
登録日2021-06-06
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification of fragments binding to SARS-CoV-2 nsp10 reveals ligand-binding sites in conserved interfaces between nsp10 and nsp14/nsp16.
Rsc Chem Biol, 3, 2022
8BZN
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BU of 8bzn by Molmil
SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ...
著者Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S.
登録日2022-12-15
公開日2023-12-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16.
Elife, 12, 2023
8HNS
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BU of 8hns by Molmil
Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form
分子名称: GLYCEROL, anti-CRISPR protein AcrIIC4
著者Sun, W, Cheng, Z, Yang, J, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNV
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BU of 8hnv by Molmil
CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4
分子名称: CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ...
著者Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNT
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BU of 8hnt by Molmil
Crystal structure of anti-CRISPR protein AcrIIC4 bound to HpaCas9-sgRNA surveillance complex
分子名称: CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, sgRNA
著者Sun, W, Cheng, Z, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HNW
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BU of 8hnw by Molmil
Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA
分子名称: CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ...
著者Sun, W, Cheng, Z, Wang, Y.
登録日2022-12-08
公開日2023-07-19
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation.
Proc.Natl.Acad.Sci.USA, 120, 2023
5GNU
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BU of 5gnu by Molmil
the structure of mini-MFN1 apo
分子名称: Mitofusin-1
著者Yan, L, Yu, C, Ming, Z, Lou, Z, Rao, Z, Lou, J.
登録日2016-07-25
公開日2016-11-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (4.113 Å)
主引用文献BDLP-like folding of Mitofusin 1
To Be Published
7ROJ
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BU of 7roj by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation
分子名称: Alpha-crystallin B chain peptide, GLYCEROL, SODIUM ION, ...
著者Sawaya, M.R, Do, T.D, Eisenberg, D.S.
登録日2021-07-30
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Atomic view of an amyloid dodecamer exhibiting selective cellular toxic vulnerability in acute brain slices.
Protein Sci., 31, 2022
7ROL
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BU of 7rol by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 with G95W mutation, bromo derivative
分子名称: Alpha-crystallin B chain peptide
著者Sawaya, M.R, Do, T.D, Eisenberg, D.S.
登録日2021-07-30
公開日2022-02-16
最終更新日2022-03-02
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Atomic view of an amyloid dodecamer exhibiting selective cellular toxic vulnerability in acute brain slices.
Protein Sci., 31, 2022
6AGG
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BU of 6agg by Molmil
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
分子名称: ACETATE ION, AGMATINE, AMMONIUM ION, ...
著者Dong, J.S, Gong, W.M.
登録日2018-08-11
公開日2018-09-05
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
5KCQ
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BU of 5kcq by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate
分子名称: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KDA
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BU of 5kda by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and genistein
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, GENISTEIN, aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-07
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KCL
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BU of 5kcl by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KD0
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BU of 5kd0 by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT(E91A) mutant from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate and (+)-butyrolactone II
分子名称: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
著者Sun, F, Gao, B.
登録日2016-06-07
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KCY
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BU of 5kcy by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with geranyl S-thiolodiphosphate and (+)-butyrolactone II
分子名称: GERANYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2~{R})-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-oxidanyl-5-oxidanylidene-furan-2-carboxylate
著者Sun, F, Gao, B.
登録日2016-06-07
公開日2016-12-21
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KD6
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BU of 5kd6 by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT from Aspergillus terreus A8-4 in complex with dimethylallyl S-thiolodiphosphate and (-)-butyrolactone II
分子名称: DIMETHYLALLYL S-THIOLODIPHOSPHATE, aromatic prenyltransferase, methyl (2S)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylate
著者Sun, F, Gao, B.
登録日2016-06-07
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5KCG
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BU of 5kcg by Molmil
Crystal structure of the aromatic prenyltransferase AtaPT (apo state) from Aspergillus terreus A8-4
分子名称: aromatic prenyltransferase
著者Sun, F, Gao, B.
登録日2016-06-06
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular insights into the enzyme promiscuity of an aromatic prenyltransferase.
Nat. Chem. Biol., 13, 2017
5XOB
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BU of 5xob by Molmil
Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)
分子名称: MAGNESIUM ION, ZINC ION, tRNA(Ile2) 2-agmatinylcytidine synthetase TiaS
著者Dong, J.
登録日2017-05-27
公開日2018-08-29
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of tRNA-Modifying Enzyme TiaS and Motions of Its Substrate Binding Zinc Ribbon.
J. Mol. Biol., 430, 2018
6XHL
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BU of 6xhl by Molmil
Covalent complex of SARS-CoV main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
分子名称: 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
登録日2020-06-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHO
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BU of 6xho by Molmil
Covalent complex of SARS-CoV main protease with ethyl (4R)-4-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
著者Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
登録日2020-06-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.446 Å)
主引用文献Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHN
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BU of 6xhn by Molmil
Covalent complex of SARS-CoV main protease with 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
分子名称: (3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate, 1,2-ETHANEDIOL, 3C-like proteinase
著者Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
登録日2020-06-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.377 Å)
主引用文献Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020
6XHM
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BU of 6xhm by Molmil
Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E.
登録日2020-06-19
公開日2020-07-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.
J.Med.Chem., 63, 2020

 

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