5LU7
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![BU of 5lu7 by Molmil](/molmil-images/mine/5lu7) | Heptose isomerase GmhA mutant - D61A | Descriptor: | 1,2-ETHANEDIOL, 7-O-phosphono-D-glycero-alpha-D-manno-heptopyranose, Phosphoheptose isomerase, ... | Authors: | Vivoli, M, Harmer, N.J, Pang, J. | Deposit date: | 2016-09-08 | Release date: | 2017-12-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | A half-site multimeric enzyme achieves its cooperativity without conformational changes. Sci Rep, 7, 2017
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5LV2
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![BU of 5lv2 by Molmil](/molmil-images/mine/5lv2) | Crystal structure of mouse CARM1 in complex with inhibitor LH1246 | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | Deposit date: | 2016-09-12 | Release date: | 2017-09-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors. Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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5MEZ
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![BU of 5mez by Molmil](/molmil-images/mine/5mez) | Crystal structure of Smad4-MH1 bound to the GGCT site. | Descriptor: | CHLORIDE ION, DNA (5'-D(P*GP*CP*AP*GP*GP*CP*TP*AP*GP*CP*CP*TP*GP*CP*A)-3'), MH1 domain of human Smad4, ... | Authors: | Kaczmarska, Z, Freier, R, Marquez, J.A, Macias, M.J. | Deposit date: | 2016-11-16 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Structural basis for genome wide recognition of 5-bp GC motifs by SMAD transcription factors. Nat Commun, 8, 2017
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5N9I
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5N9H
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3B03
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![BU of 3b03 by Molmil](/molmil-images/mine/3b03) | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with vIPP. | Descriptor: | 1-deoxy-1-[(4aR)-4a-[(2Z)-2-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)but-2-en-1-yl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION | Authors: | Unno, H, Nagai, T, Hemmi, H. | Deposit date: | 2011-06-03 | Release date: | 2011-11-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Covalent modification of reduced flavin mononucleotide in type-2 isopentenyl diphosphate isomerase by active-site-directed inhibitors. Proc.Natl.Acad.Sci.USA, 108, 2011
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3CD5
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![BU of 3cd5 by Molmil](/molmil-images/mine/3cd5) | Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors | Descriptor: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Sarver, R.W, Harris, M.S, Finzel, B.C. | Deposit date: | 2008-02-26 | Release date: | 2008-06-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme a reductase. J.Med.Chem., 51, 2008
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5NQN
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5DYE
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![BU of 5dye by Molmil](/molmil-images/mine/5dye) | CRYSTAL STRUCTURE OF THE FULL LENGTH S156E MUTANT OF HUMAN AQUAPORIN 5 | Descriptor: | Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine | Authors: | Kitchen, P, Oeberg, F, Sjoehamn, J, Hedfalk, K, Bill, R.M, Conner, A.C, Conner, M.T, Toernroth-Horsefield, S. | Deposit date: | 2015-09-24 | Release date: | 2015-12-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Plasma Membrane Abundance of Human Aquaporin 5 Is Dynamically Regulated by Multiple Pathways. Plos One, 10, 2015
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4J1N
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![BU of 4j1n by Molmil](/molmil-images/mine/4j1n) | Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-01 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
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4RLH
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![BU of 4rlh by Molmil](/molmil-images/mine/4rlh) | Crystal structure of enoyl ACP reductase from Burkholderia pseudomallei in complex with AFN-1252 | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide | Authors: | Rao, K.N, Sarah, J, Anirudha, L, Subramanya, H.S. | Deposit date: | 2014-10-17 | Release date: | 2015-12-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of enoyl ACP reductase from
Burkholderia pseudomallei in complex with AFN-1252 To be Published
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4J4T
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![BU of 4j4t by Molmil](/molmil-images/mine/4j4t) | Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold | Descriptor: | 1-(1,3-benzodioxol-5-ylmethyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-07 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
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7WUT
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4B2W
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![BU of 4b2w by Molmil](/molmil-images/mine/4b2w) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-18 | Release date: | 2013-05-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4CX7
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![BU of 4cx7 by Molmil](/molmil-images/mine/4cx7) | Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE | Descriptor: | (R)-6-(3-amino-2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)propyl)-4-methylpyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-04-03 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Mobility of a Conserved Tyrosine Residue Controls Isoform-Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry, 53, 2014
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4D1N
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![BU of 4d1n by Molmil](/molmil-images/mine/4d1n) | Structure of human nNOS heme domain with L-Arg bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2014-05-02 | Release date: | 2014-10-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structures of Human Constitutive Nitric Oxide Synthases Acta Crystallogr.,Sect.D, 70, 2014
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4QM1
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![BU of 4qm1 by Molmil](/molmil-images/mine/4qm1) | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67 | Descriptor: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Mandapati, K, Gollapalli, D, Gorla, S.K, Zhang, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-06-14 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7964 Å) | Cite: | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase with an Internal Deletion of the CBS Domain from Bacillus anthracis str. Ames complexed with inhibitor D67 To be Published, 2014
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4J3F
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![BU of 4j3f by Molmil](/molmil-images/mine/4j3f) | Crystal Structure of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold. | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | Deposit date: | 2013-02-05 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI). Bioorg.Med.Chem.Lett., 25, 2015
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4RLT
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![BU of 4rlt by Molmil](/molmil-images/mine/4rlt) | Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium tuberculosis complexed with Fisetin | Descriptor: | (3R)-hydroxyacyl-ACP dehydratase subunit HadA, (3R)-hydroxyacyl-ACP dehydratase subunit HadB, 3,7,3',4'-TETRAHYDROXYFLAVONE, ... | Authors: | Li, J, Dong, Y, Rao, Z.H. | Deposit date: | 2014-10-18 | Release date: | 2015-10-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Molecular basis for the inhibition of beta-hydroxyacyl-ACP dehydratase HadAB complex from Mycobacterium tuberculosis by flavonoid inhibitors. Protein Cell, 6, 2015
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4TYS
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![BU of 4tys by Molmil](/molmil-images/mine/4tys) | Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide | Descriptor: | Concanavalin-A, bis{[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl} hydrogen phosphate | Authors: | Vieira, D.B.H.A, Delatorre, P, Silva-Filho, J.C, Nobrega, R.B, Cavada, B.S, Rocha, B.A.M, Lima, E.M, Teixeira, C.S. | Deposit date: | 2014-07-09 | Release date: | 2015-07-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of Canavalia maritima lectin (ConM) complexed with a dinucleotide To Be Published
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4U8C
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![BU of 4u8c by Molmil](/molmil-images/mine/4u8c) | Crystal structure of D(CGCGAATTCGCG)2 complexed with BPH-1409 | Descriptor: | 2,2'-benzene-1,4-diylbis[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-indole], DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Zhu, W, Oldfield, E. | Deposit date: | 2014-08-01 | Release date: | 2015-02-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Antibacterial drug leads: DNA and enzyme multitargeting. J.Med.Chem., 58, 2015
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7LGU
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4V37
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7LGW
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4UXR
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![BU of 4uxr by Molmil](/molmil-images/mine/4uxr) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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