7RSJ
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![BU of 7rsj by Molmil](/molmil-images/mine/7rsj) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSP
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![BU of 7rsp by Molmil](/molmil-images/mine/7rsp) | Structure of the VPS34 kinase domain with compound 14 | Descriptor: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3 | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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7RSV
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![BU of 7rsv by Molmil](/molmil-images/mine/7rsv) | Structure of the VPS34 kinase domain with compound 5 | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | Deposit date: | 2021-08-11 | Release date: | 2021-11-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors. J.Med.Chem., 65, 2022
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1DFA
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![BU of 1dfa by Molmil](/molmil-images/mine/1dfa) | CRYSTAL STRUCTURE OF PI-SCEI IN C2 SPACE GROUP | Descriptor: | PI-SCEI ENDONUCLEASE | Authors: | Hu, D, Crist, M, Duan, X, Quiocho, F.A, Gimble, F.S. | Deposit date: | 1999-11-18 | Release date: | 1999-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Probing the structure of the PI-SceI-DNA complex by affinity cleavage and affinity photocross-linking. J.Biol.Chem., 275, 2000
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6IX2
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![BU of 6ix2 by Molmil](/molmil-images/mine/6ix2) | Structure of the A214C/A250I mutant of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.48 Angstroms resolution | Descriptor: | GLYCEROL, Microsomal epoxide hyddrolase | Authors: | Hu, D, Hu, B.C, Hou, X.D, Rao, Y.J, Wu, M.C. | Deposit date: | 2018-12-09 | Release date: | 2019-12-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | Structure-Guided Regulation in the Enantioselectivity of an Epoxide Hydrolase to Produce Enantiomeric Monosubstituted Epoxides and Vicinal Diols via Kinetic Resolution. Org.Lett., 24, 2022
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6IX4
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![BU of 6ix4 by Molmil](/molmil-images/mine/6ix4) | Structure of an epoxide hydrolase from Aspergillus usamii E001 (AuEH2) at 1.51 Angstroms resolution | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Hu, D, Hu, B.C, Hou, X.D, Wu, L, Rao, Y.J, Wu, M.C. | Deposit date: | 2018-12-09 | Release date: | 2019-12-11 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.511 Å) | Cite: | Nearly perfect kinetic resolution of racemic o-nitrostyrene oxide by AuEH2, a microsomal epoxide hydrolase from Aspergillus usamii, with high enantio- and regio-selectivity. Int.J.Biol.Macromol., 169, 2021
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8W53
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![BU of 8w53 by Molmil](/molmil-images/mine/8w53) | Crystal structure of LbUGT in complex with UDP | Descriptor: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Hu, D, Wang, G.Q. | Deposit date: | 2023-08-25 | Release date: | 2024-05-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.42816162 Å) | Cite: | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines. Nat Commun, 15, 2024
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8WP5
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![BU of 8wp5 by Molmil](/molmil-images/mine/8wp5) | Crystal structure of LbUGT1 in complex with UDP | Descriptor: | CHLORIDE ION, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Hu, D, Wang, G.Q. | Deposit date: | 2023-10-08 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.57005954 Å) | Cite: | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines. Nat Commun, 15, 2024
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8X1F
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![BU of 8x1f by Molmil](/molmil-images/mine/8x1f) | |
8XIZ
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![BU of 8xiz by Molmil](/molmil-images/mine/8xiz) | |
6VN2
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![BU of 6vn2 by Molmil](/molmil-images/mine/6vn2) | USP7 IN COMPLEX WITH LIGAND COMPOUND 18 | Descriptor: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN3
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![BU of 6vn3 by Molmil](/molmil-images/mine/6vn3) | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | Descriptor: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN4
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![BU of 6vn4 by Molmil](/molmil-images/mine/6vn4) | USP7 IN COMPLEX WITH LIGAND COMPOUND 1 | Descriptor: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN6
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![BU of 6vn6 by Molmil](/molmil-images/mine/6vn6) | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN5
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![BU of 6vn5 by Molmil](/molmil-images/mine/6vn5) | USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | Authors: | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | Deposit date: | 2020-01-29 | Release date: | 2020-04-29 | Last modified: | 2020-06-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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3AIH
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![BU of 3aih by Molmil](/molmil-images/mine/3aih) | Human OS-9 MRH domain complexed with alpha3,alpha6-Man5 | Descriptor: | Protein OS-9, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | Authors: | Satoh, T, Chen, Y, Hu, D, Hanashima, S, Yamamoto, K, Yamaguchi, Y. | Deposit date: | 2010-05-14 | Release date: | 2010-12-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Oligosaccharide Recognition of Misfolded Glycoproteins by OS-9 in ER-Associated Degradation Mol.Cell, 40, 2010
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3WG4
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![BU of 3wg4 by Molmil](/molmil-images/mine/3wg4) | Crystal structure of Agrocybe cylindracea galectin mutant (N46A) with blood type A antigen tetraose | Descriptor: | DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | Deposit date: | 2013-07-25 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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3WG3
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![BU of 3wg3 by Molmil](/molmil-images/mine/3wg3) | Crystal structure of Agrocybe cylindracea galectin with blood type A antigen tetraose | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Galactoside-binding lectin, ... | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | Deposit date: | 2013-07-25 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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3WG1
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![BU of 3wg1 by Molmil](/molmil-images/mine/3wg1) | Crystal structure of Agrocybe cylindracea galectin with lactose | Descriptor: | Galactoside-binding lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | Deposit date: | 2013-07-25 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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4GQH
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![BU of 4gqh by Molmil](/molmil-images/mine/4gqh) | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies | Descriptor: | Capsid protein | Authors: | Li, X.Y, Song, B.A, Hu, D.Y, Chen, X, Wang, Z.C, Zeng, M.J, Yu, D.D, Chen, Z, Jin, L.H, Yang, S. | Deposit date: | 2012-08-23 | Release date: | 2013-08-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies To be Published
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3WG2
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![BU of 3wg2 by Molmil](/molmil-images/mine/3wg2) | Crystal structure of Agrocybe cylindracea galectin mutant (N46A) | Descriptor: | Galactoside-binding lectin, TRIETHYLENE GLYCOL | Authors: | Kuwabara, N, Hu, D, Tateno, H, Makio, H, Hirabayashi, J, Kato, R. | Deposit date: | 2013-07-25 | Release date: | 2013-11-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conformational change of a unique sequence in a fungal galectin from Agrocybe cylindracea controls glycan ligand-binding specificity. Febs Lett., 587, 2013
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8XIY
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![BU of 8xiy by Molmil](/molmil-images/mine/8xiy) | |