3CZN
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![BU of 3czn by Molmil](/molmil-images/mine/3czn) | Golgi alpha-mannosidase II (D204A nucleophile mutant) in complex with GnMan5Gn | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Alpha-mannosidase 2, ... | Authors: | Shah, N, Rose, D.R. | Deposit date: | 2008-04-29 | Release date: | 2008-06-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1PS3
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![BU of 1ps3 by Molmil](/molmil-images/mine/1ps3) | Golgi alpha-mannosidase II in complex with kifunensine | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase II, ... | Authors: | Shah, N, Kuntz, D.A, Rose, D.R. | Deposit date: | 2003-06-20 | Release date: | 2003-12-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Comparison of Kifunensine and 1-Deoxymannojirimycin Binding to Class I and II alpha-Mannosidases Demonstrates Different Saccharide Distortions in Inverting and Retaining Catalytic Mechanisms Biochemistry, 42, 2003
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2HQE
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![BU of 2hqe by Molmil](/molmil-images/mine/2hqe) | Crystal structure of human P100 Tudor domain: Large fragment | Descriptor: | P100 Co-activator tudor domain | Authors: | Shah, N, Zhao, M, Cheng, C, Xu, H, Yang, J, Silvennoinen, O, Liu, Z.J, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2006-07-18 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a large fragment of the Human P100 Tudor Domain To be Published
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3CV5
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![BU of 3cv5 by Molmil](/molmil-images/mine/3cv5) | GOLGI MANNOSIDASE II D204A catalytic nucleophile mutant complex with 3alpha,6alpha-mannopentaose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ... | Authors: | Shah, N, Kuntz, D.A, Rose, D.R. | Deposit date: | 2008-04-17 | Release date: | 2008-06-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site. Proc.Natl.Acad.Sci.Usa, 105, 2008
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3CZS
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![BU of 3czs by Molmil](/molmil-images/mine/3czs) | Golgi alpha-mannosidase II (D204A nucleophile mutant) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase 2, ... | Authors: | Shah, N, Rose, D.R. | Deposit date: | 2008-04-29 | Release date: | 2008-06-24 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Golgi alpha-mannosidase II cleaves two sugars sequentially in the same catalytic site. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1IB7
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![BU of 1ib7 by Molmil](/molmil-images/mine/1ib7) | SOLUTION STRUCTURE OF F35Y MUTANT OF RAT FERRO CYTOCHROME B5, A CONFORMATION, ENSEMBLE OF 20 STRUCTURES | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shahzad, N, Dangi, B, Blankman, J.I, Guiles, R.D. | Deposit date: | 2001-03-27 | Release date: | 2001-04-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | MUTAGENIC MODULATION OF THE ENTROPY CHANGE ON OXIDATION OF CYTOCHROME B5: AN ANALYSIS OF THE CONTRIBUTION OF CONFORMATIONAL ENTROPY To be Published
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1JEX
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![BU of 1jex by Molmil](/molmil-images/mine/1jex) | |
2FZF
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![BU of 2fzf by Molmil](/molmil-images/mine/2fzf) | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus | Descriptor: | hypothetical protein | Authors: | Fu, Z.-Q, Liu, Z.-J, Lee, D, Kelley, L, Chen, L, Tempel, W, Shah, N, Horanyi, P, Lee, H.S, Habel, J, Dillard, B.D, Nguyen, D, Chang, S.-H, Zhang, H, Chang, J, Sugar, F.J, Poole, F.L, Jenney Jr, F.E, Adams, M.W.W, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2006-02-09 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Hypothetical Protein Pfu-1136390-001 From Pyrococcus furiosus To be published
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4NM7
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![BU of 4nm7 by Molmil](/molmil-images/mine/4nm7) | Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 e-motif | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | Authors: | Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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4NM3
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![BU of 4nm3 by Molmil](/molmil-images/mine/4nm3) | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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4NM0
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![BU of 4nm0 by Molmil](/molmil-images/mine/4nm0) | Crystal structure of peptide inhibitor-free GSK-3/Axin complex | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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4NU1
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![BU of 4nu1 by Molmil](/molmil-images/mine/4nu1) | Crystal structure of a transition state mimic of the GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Axin-1, ... | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-12-03 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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4NM5
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![BU of 4nm5 by Molmil](/molmil-images/mine/4nm5) | Crystal structure of GSK-3/Axin complex bound to phosphorylated Wnt receptor LRP6 c-motif | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Axin-1, CHLORIDE ION, ... | Authors: | Stamos, J.L, Chu, M.L.-H, Enos, M.D, Shah, N, Weis, W.I. | Deposit date: | 2013-11-14 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
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7MP3
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![BU of 7mp3 by Molmil](/molmil-images/mine/7mp3) | |
6GVE
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![BU of 6gve by Molmil](/molmil-images/mine/6gve) | GAPDH-CP12-PRK complex | Descriptor: | CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | McFarlane, C.R, Shah, N, Bubeck, D, Murray, J.W. | Deposit date: | 2018-06-20 | Release date: | 2019-07-03 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria. Proc.Natl.Acad.Sci.USA, 116, 2019
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6NT2
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![BU of 6nt2 by Molmil](/molmil-images/mine/6nt2) | type 1 PRMT in complex with the inhibitor GSK3368715 | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ... | Authors: | Concha, N.O. | Deposit date: | 2019-01-28 | Release date: | 2019-07-10 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss. Cancer Cell, 36, 2019
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7NTN
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![BU of 7ntn by Molmil](/molmil-images/mine/7ntn) | The structure of RRM domain of human TRMT2A at 2 A resolution | Descriptor: | CHLORIDE ION, SODIUM ION, SULFATE ION, ... | Authors: | Davydova, E, Janowski, R, Witzenberger, M, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.016 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
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7NTO
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![BU of 7nto by Molmil](/molmil-images/mine/7nto) | The structure of RRM domain of human TRMT2A at 1.23 A resolution | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Witzenberger, M, Janowski, R, Davydova, E, Niessing, D. | Deposit date: | 2021-03-10 | Release date: | 2022-01-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Comput Struct Biotechnol J, 20, 2022
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6B9L
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![BU of 6b9l by Molmil](/molmil-images/mine/6b9l) | Crystal structure of EphA2 with peptide 135E2 | Descriptor: | Ephrin type-A receptor 2, HIS TAG CLEAVED OFF, peptide 135E2, ... | Authors: | Song, J, Tan, X. | Deposit date: | 2017-10-10 | Release date: | 2018-10-17 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-Based Design of Novel EphA2 Agonistic Agents with Nanomolar Affinity in Vitro and in Cell. ACS Chem. Biol., 13, 2018
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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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6WAA
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![BU of 6waa by Molmil](/molmil-images/mine/6waa) | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one, CHLORIDE ION, ... | Authors: | Noeske, J, Shu, W, Bellamacina, C. | Deposit date: | 2020-03-24 | Release date: | 2020-07-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria. 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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