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7GKG
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BU of 7gkg by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-2f867453-1 (Mpro-P0878)
分子名称: (3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJ2
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BU of 7gj2 by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDG-MED-70ae9412-1 (Mpro-P0154)
分子名称: (4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GKW
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BU of 7gkw by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAT-POS-e6dd326d-6 (Mpro-P1200)
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GJI
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BU of 7gji by Molmil
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-d08626de-3 (Mpro-P0243)
分子名称: (4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide, 3C-like proteinase, CHLORIDE ION, ...
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
4Q0M
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BU of 4q0m by Molmil
Crystal structure of Pyrococcus furiosus L-asparaginase
分子名称: (4S)-2-METHYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, GLYCEROL, L-asparaginase, ...
著者Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
登録日2014-04-02
公開日2014-12-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.226 Å)
主引用文献Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
4RA9
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BU of 4ra9 by Molmil
Crystal Structure of Conjoint Pyrococcus Furiosus L-asparaginase with Citrate
分子名称: CITRATE ANION, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
登録日2014-09-09
公開日2014-12-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
4NJE
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BU of 4nje by Molmil
Crystal structure of Pyrococcus furiosus L-asparaginase with ligand
分子名称: ASPARTIC ACID, L-asparaginase
著者Sharma, P, Tomar, R, Singh, S, Yadav, S.P.S, Ashish, Kundu, B.
登録日2013-11-09
公開日2014-12-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional insights into an archaeal L-asparaginase obtained through the linker-less assembly of constituent domains.
Acta Crystallogr.,Sect.D, 70, 2014
7DMG
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BU of 7dmg by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADP
分子名称: (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-03
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLM
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BU of 7dlm by Molmil
Short chain dehydrogenase (SCR) crystal structure with NADPH
分子名称: Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLD
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BU of 7dld by Molmil
Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states
分子名称: Carbonyl Reductase, MAGNESIUM ION
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-27
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DN1
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BU of 7dn1 by Molmil
Hetero-oligomers of SCR-SCR2 crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-08
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLL
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BU of 7dll by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
1TQ1
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BU of 1tq1 by Molmil
Solution structure of At5g66040, a putative protein from Arabidosis Thaliana
分子名称: senescence-associated family protein
著者Cornilescu, C.C, Cornilescu, G, Singh, S, Lee, M.S, Tyler, E.M, Shahan, M.N, Vinarov, D, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-06-16
公開日2004-06-29
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of a single-domain thiosulfate sulfurtransferase from Arabidopsis thaliana.
Protein Sci., 15, 2006
4GF5
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BU of 4gf5 by Molmil
Crystal Structure of Calicheamicin Methyltransferase, CalS11
分子名称: CalS11, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
著者Helmich, K.E, Singh, S, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Center for Eukaryotic Structural Genomics (CESG)
登録日2012-08-02
公開日2012-08-22
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献
to be published
2Q44
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BU of 2q44 by Molmil
Ensemble refinement of the protein crystal structure of gene product from Arabidopsis thaliana At1g77540
分子名称: BROMIDE ION, Uncharacterized protein At1g77540
著者Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-05-31
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
7DW7
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BU of 7dw7 by Molmil
Crystal Structure of N1051A mutant of Formylglycinamidine Synthetase
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Sharma, N, Tanwar, A.S, Anand, R.
登録日2021-01-15
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mechanism of Coordinated Gating and Signal Transduction in Purine Biosynthetic Enzyme Formylglycinamidine Synthetase.
Acs Catalysis, 12, 2022
5VSZ
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BU of 5vsz by Molmil
Structure of the Ubl domain of Sacsin mutant L78M
分子名称: Sacsin
著者Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
登録日2017-05-15
公開日2017-05-31
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5VSX
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BU of 5vsx by Molmil
Structure of the Ubl domain of Sacsin
分子名称: Sacsin
著者Trempe, J.-F, Pande, H, Shenker, S, Gehring, K.
登録日2017-05-13
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5V45
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BU of 5v45 by Molmil
Crystal structure of the F270M, K291M, L318M mutant of SR1 domain of human sacsin
分子名称: Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2018-08-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5V44
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BU of 5v44 by Molmil
Crystal structure of the SR1 domain of human sacsin
分子名称: GLYCEROL, Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5V47
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BU of 5v47 by Molmil
Crystal structure of the SR1 domain of lizard sacsin
分子名称: Lizard sacsin, SULFATE ION
著者Pan, T, Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018
5V46
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BU of 5v46 by Molmil
Crystal structure of the I113M, F270M, K291M, L308M mutant of SR1 domain of human sacsin
分子名称: Sacsin
著者Menade, M, Kozlov, G, Gehring, K.
登録日2017-03-08
公開日2017-05-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of ubiquitin-like (Ubl) and Hsp90-like domains of sacsin provide insight into pathological mutations.
J. Biol. Chem., 293, 2018

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