4ZW8
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2YNH
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![BU of 2ynh by Molmil](/molmil-images/mine/2ynh) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK500 | Descriptor: | 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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4ZY0
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6JL7
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4EMS
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7BSL
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![BU of 7bsl by Molmil](/molmil-images/mine/7bsl) | Crystal Structure of human ME2 R67A mutant | Descriptor: | NAD-dependent malic enzyme, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chen, W.L, Tai, S.C, Hung, H.C, Ho, M.C. | Deposit date: | 2020-03-30 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Single nucleotide variants lead to dysregulation of the human mitochondrial NAD(P) + -dependent malic enzyme. Iscience, 24, 2021
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5A5X
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5XIX
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![BU of 5xix by Molmil](/molmil-images/mine/5xix) | The canonical domain of human asparaginyl-tRNA synthetase | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL | Authors: | Park, J.S, Han, B.W. | Deposit date: | 2017-04-28 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Unique N-terminal extension domain of human asparaginyl-tRNA synthetase elicits CCR3-mediated chemokine activity. Int. J. Biol. Macromol., 120, 2018
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4E6S
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![BU of 4e6s by Molmil](/molmil-images/mine/4e6s) | Crystal structure of the SCAN domain from mouse Zfp206 | Descriptor: | Zinc finger and SCAN domain-containing protein 10 | Authors: | Liang, Y, Choo, S.H, Rossbach, M, Baburajendran, N, Palasingam, P, Kolatkar, P.R. | Deposit date: | 2012-03-15 | Release date: | 2012-05-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206. Acta Crystallogr.,Sect.F, 68, 2012
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2OE2
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![BU of 2oe2 by Molmil](/molmil-images/mine/2oe2) | MSrecA-native-low humidity 95% | Descriptor: | PHOSPHATE ION, Protein recA | Authors: | Krishna, R, Rajan Prabu, J, Manjunath, G.P, Datta, S, Chandra, N.R, Muniyappa, K, Vijayan, M. | Deposit date: | 2006-12-28 | Release date: | 2007-06-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Snapshots of RecA protein involving movement of the C-domain and different conformations of the DNA-binding loops: crystallographic and comparative analysis of 11 structures of Mycobacterium smegmatis RecA J.Mol.Biol., 367, 2007
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7C29
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![BU of 7c29 by Molmil](/molmil-images/mine/7c29) | Esterase CrmE10 mutant-D178A | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Li, Z, Li, J. | Deposit date: | 2020-05-07 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structure-guided protein engineering increases enzymatic activities of the SGNH family esterases. Biotechnol Biofuels, 13, 2020
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2YNG
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![BU of 2yng by Molmil](/molmil-images/mine/2yng) | HIV-1 Reverse Transcriptase in complex with inhibitor GSK560 | Descriptor: | 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ... | Authors: | Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A. | Deposit date: | 2012-10-14 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase. J.Med.Chem., 55, 2012
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2YPL
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![BU of 2ypl by Molmil](/molmil-images/mine/2ypl) | Structural features underlying T-cell receptor sensitivity to concealed MHC class I micropolymorphisms | Descriptor: | AGA T-CELL RECEPTOR ALPHA CHAIN, AGA T-CELL RECEPTOR BETA CHAIN, BETA-2-MICROGLOBULIN, ... | Authors: | Stewart-Jones, G.B, Simpson, P, van der Merwe, P.A, Easterbrook, P, McMichael, A.J, Rowland-Jones, S.L, Jones, E.Y, Gillespie, G.M. | Deposit date: | 2012-10-30 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Features Underlying T-Cell Receptor Sensitivity to Concealed Mhc Class I Micropolymorphisms. Proc.Natl.Acad.Sci.USA, 109, 2012
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2OFW
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7BSJ
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![BU of 7bsj by Molmil](/molmil-images/mine/7bsj) | Crystal structure of human ME2 R484W | Descriptor: | FUMARIC ACID, MAGNESIUM ION, NAD-dependent malic enzyme, ... | Authors: | Chen, W.L, Tai, S.C, Hung, H.C, Ho, M.C. | Deposit date: | 2020-03-30 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Single nucleotide variants lead to dysregulation of the human mitochondrial NAD(P) + -dependent malic enzyme. Iscience, 24, 2021
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4ZVN
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![BU of 4zvn by Molmil](/molmil-images/mine/4zvn) | Reduced quinone reductase 2 in complex with acridine orange | Descriptor: | ACRIDINE ORANGE, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ... | Authors: | Leung, K.K, Shilton, B.H. | Deposit date: | 2015-05-18 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.866 Å) | Cite: | Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2. Biochemistry, 54, 2015
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4ZVY
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6T95
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![BU of 6t95 by Molmil](/molmil-images/mine/6t95) | Trypanothione Reductase from Leismania infantum in complex with 4a | Descriptor: | 1-[2-[5-[4-(4-azanylbutyl)-3-methyl-1,2,3-triazol-3-ium-1-yl]-2-[4-(2-phenylethyl)-1,3-thiazol-2-yl]phenoxy]ethyl]imidazolidin-2-one, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Carriles, A.A, Hermoso, J.A. | Deposit date: | 2019-10-25 | Release date: | 2020-11-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of 1,2,3-triazolium salt-based inhibitors of Leishmania infantum trypanothione disulfide reductase with enhanced antileishmanial potency in cellulo and increased selectivity. Eur.J.Med.Chem., 244, 2022
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7BSK
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![BU of 7bsk by Molmil](/molmil-images/mine/7bsk) | Crystal structure of human ME2 R67Q mutant | Descriptor: | NAD-dependent malic enzyme, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Chen, W.L, Tai, S.C, Hung, H.C, Ho, M.C. | Deposit date: | 2020-03-30 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Single nucleotide variants lead to dysregulation of the human mitochondrial NAD(P) + -dependent malic enzyme. Iscience, 24, 2021
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4ZX9
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5XQM
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2OIZ
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2CNW
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![BU of 2cnw by Molmil](/molmil-images/mine/2cnw) | GDPALF4 complex of the SRP GTPases Ffh and FtsY | Descriptor: | CELL DIVISION PROTEIN FTSY, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, ... | Authors: | Focia, P.J, Gawronski-Salerno, J, Coon V, J.S, Freymann, D.M. | Deposit date: | 2006-05-24 | Release date: | 2006-10-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Structure of a Gdp:Alf(4) Complex of the Srp Gtpases Ffh and Ftsy, and Identification of a Peripheral Nucleotide Interaction Site. J.Mol.Biol., 360, 2006
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2NRC
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6T97
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![BU of 6t97 by Molmil](/molmil-images/mine/6t97) | Trypanothione Reductase from Leismania infantum in complex with TRL190 | Descriptor: | 4-[1-[4-[4-(2-phenylethyl)-1,3-thiazol-2-yl]-3-(2-piperidin-4-ylethoxy)phenyl]-1,2,3-triazol-4-yl]butan-1-amine, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Carriles, A, Hermoso, J.A. | Deposit date: | 2019-10-26 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Scaffold hopping identifies new triazole-and triazolium-based inhibitors of Leishmania infantum Trypanothione Reductase with potent and selective antileishmanial activity To Be Published
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