2G8Y
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![BU of 2g8y by Molmil](/molmil-images/mine/2g8y) | The structure of a putative malate/lactate dehydrogenase from E. coli. | Descriptor: | 1,2-ETHANEDIOL, Malate/L-lactate dehydrogenases, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cuff, M.E, Skarina, T, Edwards, A, Savchenko, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-03-03 | Release date: | 2006-04-25 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structure of a putative malate/lactate dehydrogenase from E. coli. To be Published
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2G6J
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![BU of 2g6j by Molmil](/molmil-images/mine/2g6j) | Structure of rat nNOS (L337N) heme domain (4-aminobiopterin bound) complexed with NO | Descriptor: | (1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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2G3A
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![BU of 2g3a by Molmil](/molmil-images/mine/2g3a) | Crystal structure of putative acetyltransferase from Agrobacterium tumefaciens | Descriptor: | acetyltransferase | Authors: | Cymborowski, M, Xu, X, Chruszcz, M, Zheng, H, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-02-17 | Release date: | 2006-03-14 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of putative acetyltransferase from Agrobacterium tumefaciens To be Published
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7RFR
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![BU of 7rfr by Molmil](/molmil-images/mine/7rfr) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Gajiwala, K.S, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.626 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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7RFU
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![BU of 7rfu by Molmil](/molmil-images/mine/7rfu) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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7RFW
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![BU of 7rfw by Molmil](/molmil-images/mine/7rfw) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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7RFS
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![BU of 7rfs by Molmil](/molmil-images/mine/7rfs) | Structure of SARS-CoV-2 main protease in complex with a covalent inhibitor | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | Authors: | Greasley, S.E, Ferre, R.A, Liu, W, Stewart, A.E. | Deposit date: | 2021-07-14 | Release date: | 2021-11-10 | Last modified: | 2022-01-05 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | An oral SARS-CoV-2 M pro inhibitor clinical candidate for the treatment of COVID-19. Science, 374, 2021
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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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2G6B
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![BU of 2g6b by Molmil](/molmil-images/mine/2g6b) | Crystal structure of human RAB26 in complex with a GTP analogue | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-26, ... | Authors: | Wang, J, Tempel, W, Shen, Y, Shen, L, Yaniw, D, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-24 | Release date: | 2006-03-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of human RAB26 in complex with a GTP analogue To be Published
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2G6K
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![BU of 2g6k by Molmil](/molmil-images/mine/2g6k) | Structure of rat nNOS heme domain (BH4 bound) complexed with NO | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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2G9D
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![BU of 2g9d by Molmil](/molmil-images/mine/2g9d) | Crystal Structure of Succinylglutamate desuccinylase from Vibrio cholerae, Northeast Structural Genomics Target VcR20 | Descriptor: | Succinylglutamate desuccinylase | Authors: | Zhou, W, Jayaraman, S, Forouhar, F, Conover, K, Rong, X, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-03-06 | Release date: | 2006-04-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal Structure of Succinylglutamate desuccinylase from Vibrio cholerae, Northeast Structural Genomics Target VcR20. To be Published
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2G6I
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![BU of 2g6i by Molmil](/molmil-images/mine/2g6i) | Structure of rat nNOS heme domain (BH2-bound) in the reduced form | Descriptor: | 7,8-DIHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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2G6M
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![BU of 2g6m by Molmil](/molmil-images/mine/2g6m) | Structure of rat nNOS heme domain (BH4 bound) complexed with CO | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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2G8F
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![BU of 2g8f by Molmil](/molmil-images/mine/2g8f) | |
2G8U
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![BU of 2g8u by Molmil](/molmil-images/mine/2g8u) | |
2GD5
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![BU of 2gd5 by Molmil](/molmil-images/mine/2gd5) | Structural basis for budding by the ESCRTIII factor CHMP3 | Descriptor: | Charged multivesicular body protein 3 | Authors: | Muziol, T.M, Pineda-Molina, E, Ravelli, R.B, Zamborlini, A, Usami, Y, Gottlinger, H, Weissenhorn, W. | Deposit date: | 2006-03-15 | Release date: | 2006-06-13 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Budding by the ESCRT-III Factor CHMP3. Dev.Cell, 10, 2006
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2G7U
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![BU of 2g7u by Molmil](/molmil-images/mine/2g7u) | 2.3 A structure of putative catechol degradative operon regulator from Rhodococcus sp. RHA1 | Descriptor: | transcriptional regulator | Authors: | Zheng, H, Skarina, T, Chruszcz, M, Cymborowski, M, Grabowski, M, Onopriyenko, O, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-03-01 | Release date: | 2006-04-04 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 2.3 A structure of putative catechol degradative operon regulator from
Rhodococcus sp. RHA1 To be Published
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5OE6
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![BU of 5oe6 by Molmil](/molmil-images/mine/5oe6) | |
5OE3
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![BU of 5oe3 by Molmil](/molmil-images/mine/5oe3) | Crystal structure of the N-terminal domain of PqsA in complex with anthraniloyl-AMP (crystal form 1) | Descriptor: | 1,2-ETHANEDIOL, 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, ACETATE ION, ... | Authors: | Witzgall, F, Ewert, W, Blankenfeldt, W. | Deposit date: | 2017-07-07 | Release date: | 2017-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structures of the N-Terminal Domain of PqsA in Complex with Anthraniloyl- and 6-Fluoroanthraniloyl-AMP: Substrate Activation in Pseudomonas Quinolone Signal (PQS) Biosynthesis. Chembiochem, 18, 2017
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5OE4
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![BU of 5oe4 by Molmil](/molmil-images/mine/5oe4) | |
5OE5
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![BU of 5oe5 by Molmil](/molmil-images/mine/5oe5) | |
7XOZ
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![BU of 7xoz by Molmil](/molmil-images/mine/7xoz) | Crystal structure of RPPT-TIR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | Authors: | Song, W, Jia, A, Huang, S, Chai, J. | Deposit date: | 2022-05-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | TIR-catalyzed ADP-ribosylation reactions produce signaling molecules for plant immunity. Science, 377, 2022
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7YGG
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![BU of 7ygg by Molmil](/molmil-images/mine/7ygg) | |