6GT3
 
 | | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity
J Immunother Cancer, 2020
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6L5S
 | | crystal structure of GgCGT in complex with UDP-Glu | | Descriptor: | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE, GLYCEROL, GgCGT, ... | | Authors: | Zhang, M, Li, F.D, Ye, M. | | Deposit date: | 2019-10-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
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8RU1
 | | Chromatin remodeling regulator CECR2 with in crystallo disulfide bond | | Descriptor: | Chromatin remodeling regulator CECR2, GLYCEROL, SODIUM ION | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-01-29 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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6L5Q
 | | crystal structure of GgCGT in complex with UDP-Gal | | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, GgCGT | | Authors: | Zhang, M, Li, F.D, Ye, M. | | Deposit date: | 2019-10-24 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
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6L7H
 | | crystal structure of GgCGT in complex with UDP and Nothofagin | | Descriptor: | 1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one, GgCGT1, URIDINE-5'-DIPHOSPHATE | | Authors: | Zhang, M, Li, F.D, Ye, M. | | Deposit date: | 2019-11-01 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional Characterization and Structural Basis of an Efficient Di-C-glycosyltransferase fromGlycyrrhiza glabra.
J.Am.Chem.Soc., 142, 2020
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8RU5
 | | ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2 | | Authors: | Fairhead, M, Strain-Damerell, C, Ye, M, Mackinnon, S.R, Pinkas, D, MacLean, E.M, Koekemoer, L, Damerell, D, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, Yue, W, Burgess-Brown, N, Marsden, B, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-01-30 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A fast, parallel method for efficiently exploring crystallization behaviour of large numbers of protein variants
To Be Published
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8IE4
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3K3E
 | | Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691 | | Descriptor: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | Deposit date: | 2009-10-02 | | Release date: | 2010-02-16 | | Last modified: | 2013-11-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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3K3H
 | | Crystal structure of the PDE9A catalytic domain in complex with (S)-BAY73-6691 | | Descriptor: | 1-(2-chlorophenyl)-6-[(2S)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H. | | Deposit date: | 2009-10-02 | | Release date: | 2010-02-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
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7V7M
 | | crystal structure of SARS-CoV-2 3CL protease | | Descriptor: | 3C-like proteinase | | Authors: | Yi, Y, Zhang, M, Ye, M. | | Deposit date: | 2021-08-21 | | Release date: | 2022-06-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Schaftoside inhibits 3CL pro and PL pro of SARS-CoV-2 virus and regulates immune response and inflammation of host cells for the treatment of COVID-19.
Acta Pharm Sin B, 12, 2022
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8I0E
 | | Sb3GT1 complex with UDP | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, H.T, Wang, Z.L, Ye, M. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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8HZZ
 | | GuApiGT (UGT79B74) | | Descriptor: | SULFATE ION, apiosyltransferase | | Authors: | Wang, H.T, Wang, Z.L, Li, F.D, Ye, M. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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8I0D
 | | Sb3GT1 375S/Q377H mutant complex with UDP-Glc | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Wang, H.T, Wang, Z.L, Ye, M. | | Deposit date: | 2023-01-10 | | Release date: | 2023-09-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Insights into the missing apiosylation step in flavonoid apiosides biosynthesis of Leguminosae plants.
Nat Commun, 14, 2023
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8HOK
 | | crystal structure of UGT71AP2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2 | | Authors: | Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M. | | Deposit date: | 2022-12-10 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | crystal structure of UGT71AP2
To Be Published
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8HOJ
 | | Crystal structure of UGT71AP2 in complex with UDP | | Descriptor: | UGT71AP2, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M. | | Deposit date: | 2022-12-10 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | crystal structure of UGT71AP2 in complex with UDP
To Be Published
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8INH
 | | ZjOGT3, flavonoid 7,4'-di-O-glycosyltransferase | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, Z.L, Wang, H.D, Li, F.D, Ye, M. | | Deposit date: | 2023-03-09 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Functional characterization, structural basis, and regio-selectivity control of a promiscuous flavonoid 7,4'-di- O -glycosyltransferase from Ziziphus jujuba var. spinosa.
Chem Sci, 14, 2023
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8EBO
 | | Homopurine parallel G-quadruplex from human chromosome 7 stabilized by K+ ions | | Descriptor: | COBALT (III) ION, DNA (5'-D(*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*GP*A)-3'), N-METHYLMESOPORPHYRIN, ... | | Authors: | Chen, E.V, Yatsunyk, L.A. | | Deposit date: | 2022-08-31 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Homopurine guanine-rich sequences in complex with N-methyl mesoporphyrin IX form parallel G-quadruplex dimers and display a unique symmetry tetrad.
Bioorg.Med.Chem., 77, 2022
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2LMZ
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8UV0
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5G06
 | | Cryo-EM structure of yeast cytoplasmic exosome | | Descriptor: | EXOSOME COMPLEX COMPONENT CSL4, EXOSOME COMPLEX COMPONENT MTR3, EXOSOME COMPLEX COMPONENT RRP4, ... | | Authors: | Liu, J.J, Niu, C.Y, Wu, Y, Tan, D, Wang, Y, Ye, M.D, Liu, Y, Zhao, W.W, Zhou, K, Liu, Q.S, Dai, J.B, Yang, X.R, Dong, M.Q, Huang, N, Wang, H.W. | | Deposit date: | 2016-03-17 | | Release date: | 2016-06-15 | | Last modified: | 2017-08-02 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryoem Structure of Yeast Cytoplasmic Exosome Complex.
Cell Res., 26, 2016
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8QNI
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8QNG
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8QNH
 | | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | | Descriptor: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
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4C61
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J.A, Green, I, Pollard, H, Howard, T. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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4C62
 | | Inhibitors of Jak2 Kinase domain | | Descriptor: | ACETATE ION, N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-n4-(1-methylimidazol-4-yl)-6-morpholino-1,3,5-triazine-2,4-diamine, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Read, J, Green, I, Pollard, H, Howard, T. | | Deposit date: | 2013-09-17 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Discovery of 1-Methyl-1H-Imidazole Derivatives as Potent Jak2 Inhibitors.
J.Med.Chem., 57, 2014
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