6YYC
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![BU of 6yyc by Molmil](/molmil-images/mine/6yyc) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 5-chloranyl-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2020-05-04 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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6YYB
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![BU of 6yyb by Molmil](/molmil-images/mine/6yyb) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2020-05-04 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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6YY8
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![BU of 6yy8 by Molmil](/molmil-images/mine/6yy8) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2020-05-04 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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6Z0Q
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![BU of 6z0q by Molmil](/molmil-images/mine/6z0q) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 2 | Descriptor: | Phosphoribosylaminoimidazole-succinocarboxamide synthase, SULFATE ION, ethyl (2~{S},3~{R})-3-(5-bromanylpyridin-2-yl)-2-fluoranyl-3-oxidanyl-propanoate | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2020-05-10 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.535 Å) | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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5ZMB
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![BU of 5zmb by Molmil](/molmil-images/mine/5zmb) | |
6Z0R
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![BU of 6z0r by Molmil](/molmil-images/mine/6z0r) | Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 1 | Descriptor: | 1,2-ETHANEDIOL, 4-azanylpyrimidine-5-carbonitrile, Phosphoribosylaminoimidazole-succinocarboxamide synthase, ... | Authors: | Thomas, S.E, Charoensutthivarakul, S, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2020-05-10 | Release date: | 2021-05-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.308 Å) | Cite: | Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach. Acs Infect Dis., 8, 2022
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5ZQY
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![BU of 5zqy by Molmil](/molmil-images/mine/5zqy) | Crystal structure of a poly(ADP-ribose) glycohydrolase | Descriptor: | MAGNESIUM ION, Poly(ADP-ribose) glycohydrolase ARH3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Wang, M, Yuan, Z, Ma, Y, Wang, J, Liu, X. | Deposit date: | 2018-04-20 | Release date: | 2018-08-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.577 Å) | Cite: | Structure-function analyses reveal the mechanism of the ARH3-dependent hydrolysis of ADP-ribosylation. J. Biol. Chem., 293, 2018
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7C82
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![BU of 7c82 by Molmil](/molmil-images/mine/7c82) | Crystal structure of AlinE4, a SGNH-hydrolase family esterase | Descriptor: | ACETATE ION, ALANINE, CADMIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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2L83
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![BU of 2l83 by Molmil](/molmil-images/mine/2l83) | A protein from Haloferax volcanii | Descriptor: | Small archaeal modifier protein 1 | Authors: | Zhang, W, Liao, S, Fan, K, Tu, X. | Deposit date: | 2011-01-03 | Release date: | 2012-01-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Ionic strength-dependent conformations of a ubiquitin-like small archaeal modifier protein (SAMP1) from Haloferax volcanii. Protein Sci., 22, 2013
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3LAN
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![BU of 3lan by Molmil](/molmil-images/mine/3lan) | Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor | Descriptor: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | Authors: | Lansdon, E.B, Mitchell, M.L. | Deposit date: | 2010-01-06 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. Bioorg.Med.Chem.Lett., 20, 2010
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5KN1
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![BU of 5kn1 by Molmil](/molmil-images/mine/5kn1) | Recombinant bovine skeletal calsequestrin, high-Ca2+ form | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lewis, K.M, Byrd, S, Kang, C. | Deposit date: | 2016-06-27 | Release date: | 2016-10-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.137 Å) | Cite: | Characterization of Post-Translational Modifications to Calsequestrins of Cardiac and Skeletal Muscle. Int J Mol Sci, 17, 2016
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7C84
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![BU of 7c84 by Molmil](/molmil-images/mine/7c84) | Esterase AlinE4 mutant, D162A | Descriptor: | ACETATE ION, CADMIUM ION, GLYCEROL, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-28 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.552 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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2LUY
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![BU of 2luy by Molmil](/molmil-images/mine/2luy) | Solution structure of the tandem zinc finger domain of fission yeast Stc1 | Descriptor: | Meiotic chromosome segregation protein P8B7.28c, ZINC ION | Authors: | He, C, Shi, Y, Bayne, E, Wu, J. | Deposit date: | 2012-06-22 | Release date: | 2013-05-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural analysis of Stc1 provides insights into the coupling of RNAi and chromatin modification. Proc.Natl.Acad.Sci.USA, 110, 2013
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6YVK
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![BU of 6yvk by Molmil](/molmil-images/mine/6yvk) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 0.71 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2021-11-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YVL
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![BU of 6yvl by Molmil](/molmil-images/mine/6yvl) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 1.42 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2021-11-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YVM
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![BU of 6yvm by Molmil](/molmil-images/mine/6yvm) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.13 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2021-11-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YVN
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![BU of 6yvn by Molmil](/molmil-images/mine/6yvn) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.84 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2021-11-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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3HPG
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![BU of 3hpg by Molmil](/molmil-images/mine/3hpg) | |
5DSX
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![BU of 5dsx by Molmil](/molmil-images/mine/5dsx) | Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one] | Descriptor: | 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Scheufler, C, Gaul, C, Be, C, Moebitz, H. | Deposit date: | 2015-09-17 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach. Acs Med.Chem.Lett., 7, 2016
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2MMP
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![BU of 2mmp by Molmil](/molmil-images/mine/2mmp) | Solution structure of a ribosomal protein | Descriptor: | Uncharacterized protein | Authors: | Feng, Y. | Deposit date: | 2014-03-17 | Release date: | 2014-06-11 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure determination of archaea-specific ribosomal protein L46a reveals a novel protein fold. Biochem.Biophys.Res.Commun., 450, 2014
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6YWU
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![BU of 6ywu by Molmil](/molmil-images/mine/6ywu) | Human OMPD-domain of UMPS (K314AcK) in complex with UMP at 1.1 Angstroms resolution | Descriptor: | GLYCEROL, SULFATE ION, URIDINE-5'-MONOPHOSPHATE, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-30 | Release date: | 2022-02-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6YWT
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![BU of 6ywt by Molmil](/molmil-images/mine/6ywt) | |
6ZYV
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![BU of 6zyv by Molmil](/molmil-images/mine/6zyv) | |
7VIK
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![BU of 7vik by Molmil](/molmil-images/mine/7vik) | |
5ZYQ
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![BU of 5zyq by Molmil](/molmil-images/mine/5zyq) | The Structure of Human PAF1/CTR9 complex | Descriptor: | RNA polymerase-associated protein CTR9 homolog,RNA polymerase II-associated factor 1 homolog | Authors: | Xie, Y, Zheng, M, Zhou, H, Long, J. | Deposit date: | 2018-05-28 | Release date: | 2018-09-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.531 Å) | Cite: | Paf1 and Ctr9 subcomplex formation is essential for Paf1 complex assembly and functional regulation. Nat Commun, 9, 2018
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