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3FKY
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BU of 3fky by Molmil
Crystal structure of the glutamine synthetase Gln1deltaN18 from the yeast Saccharomyces cerevisiae
Descriptor: CITRATE ANION, Glutamine synthetase
Authors:He, Y.X, Gui, L, Liu, Y.Z, Du, Y, Zhou, Y.Y, Li, P, Zhou, C.Z.
Deposit date:2008-12-18
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of Saccharomyces cerevisiae glutamine synthetase Gln1 suggests a nanotube-like supramolecular assembly
Proteins, 76, 2009
2ODD
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BU of 2odd by Molmil
Solution structure of the MYND domain from AML1-ETO complexed with SMRT, a corepressor
Descriptor: Protein CBFA2T1, SMRT, ZINC ION
Authors:Liu, Y.Z, Chen, W, Gaudet, J, Cheney, M.D, Roudaia, L, Cierpicki, T, Klet, R.C, Hartman, K, Laue, T.M, Speck, N.A, Bushweller, J.H.
Deposit date:2006-12-22
Release date:2007-06-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity.
Cancer Cell, 11, 2007
2OD1
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BU of 2od1 by Molmil
Solution structure of the MYND domain from human AML1-ETO
Descriptor: Protein CBFA2T1, ZINC ION
Authors:Liu, Y.Z, Chen, W, Gaudet, J, Cheney, M.D, Roudaia, L, Cierpicki, T, Klet, R.C, Hartman, K, Laue, T.M, Speck, N.A, Bushweller, J.H.
Deposit date:2006-12-21
Release date:2007-06-19
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structural basis for recognition of SMRT/N-CoR by the MYND domain and its contribution to AML1/ETO's activity.
Cancer Cell, 11, 2007
8HHU
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BU of 8hhu by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with SY110
Descriptor: (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.258 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8JOP
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BU of 8jop by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 11a
Descriptor: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
Authors:Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
Deposit date:2023-06-08
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
8HHT
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BU of 8hht by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
Authors:Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2022-11-17
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
8I30
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BU of 8i30 by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with 32j
Descriptor: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
Authors:Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
Deposit date:2023-01-16
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023

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