5DUC
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![BU of 5duc by Molmil](/molmil-images/mine/5duc) | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | Descriptor: | (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | Authors: | Cox, J.A.G, Besra, G.S, Futterer, K. | Deposit date: | 2015-09-18 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria. Nat Microbiol, 1, 2016
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1VIN
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2V07
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![BU of 2v07 by Molmil](/molmil-images/mine/2v07) | Structure of the Arabidopsis thaliana cytochrome c6A V52Q variant | Descriptor: | CYTOCHROME C6, HEME C | Authors: | Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J. | Deposit date: | 2007-05-09 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Modulation of heme redox potential in the cytochrome c6 family. J. Am. Chem. Soc., 129, 2007
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2V08
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![BU of 2v08 by Molmil](/molmil-images/mine/2v08) | Structure of wild-type Phormidium laminosum cytochrome c6 | Descriptor: | CHLORIDE ION, CYTOCHROME C6, HEME C, ... | Authors: | Worrall, J.A.R, Schlarb-Ridley, B.G, Reda, T, Marcaida, M.J, Moorlen, R.J, Wastl, J, Hirst, J, Bendall, D.S, Luisi, B.F, Howe, C.J. | Deposit date: | 2007-05-10 | Release date: | 2007-07-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modulation of heme redox potential in the cytochrome c6 family. J. Am. Chem. Soc., 129, 2007
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8QIC
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8OU8
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![BU of 8ou8 by Molmil](/molmil-images/mine/8ou8) | Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ... | Authors: | Rodriguez Buitrago, J.A, Parisini, E, Aigars, J. | Deposit date: | 2023-04-22 | Release date: | 2023-07-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor. Org.Biomol.Chem., 21, 2023
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2IXV
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1TW6
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![BU of 1tw6 by Molmil](/molmil-images/mine/1tw6) | Structure of an ML-IAP/XIAP chimera bound to a 9mer peptide derived from Smac | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing protein 7, ... | Authors: | Franklin, M.C, Vucic, D, Wallweber, H.J.A, Das, K, Shin, H, Elliott, L.O, Kadkhodayan, S, Deshayes, K, Salvesen, G.S, Fairbrother, W.J. | Deposit date: | 2004-06-30 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.713 Å) | Cite: | Engineering ML-IAP to produce an extraordinarily potent caspase 9 inhibitor: implications for Smac-dependent anti-apoptotic activity of ML-IAP Biochem.J., 385, 2005
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2J8F
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2IXU
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2J8G
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1Z4U
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![BU of 1z4u by Molmil](/molmil-images/mine/1z4u) | hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585 | Descriptor: | (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R. | Deposit date: | 2005-03-16 | Release date: | 2005-06-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid Bioorg.Med.Chem.Lett., 15, 2005
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1YVF
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![BU of 1yvf by Molmil](/molmil-images/mine/1yvf) | Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145 | Descriptor: | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Pfefferkorn, J.A, Greene, M.L, Nugent, R.A, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R.A, Kilkuskie, R.E, Kopta, L.A, Schwende, F.J. | Deposit date: | 2005-02-15 | Release date: | 2005-04-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid. Bioorg.Med.Chem.Lett., 15, 2005
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8V8L
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![BU of 8v8l by Molmil](/molmil-images/mine/8v8l) | Switchgrass Chalcone Isomerase | Descriptor: | Chalcone-flavonone isomerase family protein, GLYCEROL | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci, 25, 2024
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8V8P
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![BU of 8v8p by Molmil](/molmil-images/mine/8v8p) | Sorghum Chalcone Isomerase | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Chalcone-flavonone isomerase family protein | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci, 25, 2024
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8V8M
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![BU of 8v8m by Molmil](/molmil-images/mine/8v8m) | Switchgrass Chalcone Synthase | Descriptor: | COENZYME A, Chalcone synthase, NARINGENIN | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci, 25, 2024
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8V8N
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![BU of 8v8n by Molmil](/molmil-images/mine/8v8n) | Switchgrass Chalcone Synthase C170S | Descriptor: | Chalcone synthase, GLYCEROL | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci, 25, 2024
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8V8O
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![BU of 8v8o by Molmil](/molmil-images/mine/8v8o) | Switchgrass Chalcone Isomerase-Like Protein | Descriptor: | Chalcone-flavonone isomerase family protein | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2023-12-05 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural and Interactional Analysis of the Flavonoid Pathway Proteins: Chalcone Synthase, Chalcone Isomerase and Chalcone Isomerase-like Protein. Int J Mol Sci, 25, 2024
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2ACL
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![BU of 2acl by Molmil](/molmil-images/mine/2acl) | Liver X-Receptor alpha Ligand Binding Domain with SB313987 | Descriptor: | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE, Oxysterols receptor LXR-alpha, RETINOIC ACID, ... | Authors: | Jaye, M.C, Krawiec, J.A, Campobasso, N, Smallwood, A, Qiu, C, Lu, Q, Kerrigan, J.J. | Deposit date: | 2005-07-19 | Release date: | 2005-09-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of substituted maleimides as liver x receptor agonists and determination of a ligand-bound crystal structure. J.Med.Chem., 48, 2005
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8SF8
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![BU of 8sf8 by Molmil](/molmil-images/mine/8sf8) | Structure of bovine PKA bound to (R)-N-(4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl)-2-amino-4-methylpentanamide | Descriptor: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Coker, J.A, Arya, T, Goins, C.M, Maw, J.J, Macdonald, J.D, Stauffer, S.R. | Deposit date: | 2023-04-10 | Release date: | 2024-02-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Characterization of Selective, First-in-Class Inhibitors of Citron Kinase. J.Med.Chem., 67, 2024
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6QDB
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4LZM
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![BU of 4lzm by Molmil](/molmil-images/mine/4lzm) | COMPARISON OF THE CRYSTAL STRUCTURE OF BACTERIOPHAGE T4 LYSOZYME AT LOW, MEDIUM, AND HIGH IONIC STRENGTHS | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME | Authors: | Bell, J.A, Wilson, K, Zhang, X.-J, Faber, H.R, Nicholson, H, Matthews, B.W. | Deposit date: | 1991-01-25 | Release date: | 1992-07-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Comparison of the crystal structure of bacteriophage T4 lysozyme at low, medium, and high ionic strengths. Proteins, 10, 1991
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6QDA
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![BU of 6qda by Molmil](/molmil-images/mine/6qda) | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811 | Descriptor: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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6QDG
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![BU of 6qdg by Molmil](/molmil-images/mine/6qdg) | Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169 | Descriptor: | 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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6QDD
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![BU of 6qdd by Molmil](/molmil-images/mine/6qdd) | Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105 | Descriptor: | 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Brannigan, J.A. | Deposit date: | 2019-01-01 | Release date: | 2020-05-06 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes. J.Med.Chem., 63, 2020
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