3URK
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![BU of 3urk by Molmil](/molmil-images/mine/3urk) | IspH in complex with propynyl diphosphate (1061) | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-22 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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4OYQ
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![BU of 4oyq by Molmil](/molmil-images/mine/4oyq) | (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | To be published To be published
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3UIL
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![BU of 3uil by Molmil](/molmil-images/mine/3uil) | Crystal Structure of the complex of PGRP-S with lauric acid at 2.2 A resolution | Descriptor: | GLYCEROL, LAURIC ACID, Peptidoglycan recognition protein 1 | Authors: | Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2011-11-05 | Release date: | 2012-07-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site Arch.Biochem.Biophys., 529, 2013
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4OQV
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![BU of 4oqv by Molmil](/molmil-images/mine/4oqv) | High resolution crystal structure of human dihydroorotate dehydrogenase bound with DSM338 (N-[3,5-difluoro-4-(trifluoromethyl)phenyl]-5-methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine) | Descriptor: | ACETIC ACID, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M.A. | Deposit date: | 2014-02-10 | Release date: | 2014-06-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Fluorine Modulates Species Selectivity in the Triazolopyrimidine Class of Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors. J.Med.Chem., 57, 2014
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3UT8
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![BU of 3ut8 by Molmil](/molmil-images/mine/3ut8) | Structural view of a non Pfam singleton and crystal packing analysis | Descriptor: | IODIDE ION, Putative uncharacterized protein | Authors: | Cheng, C, Shaw, N, Zhang, X, Zhang, M, Ding, W, Wang, B.C, Liu, Z.J. | Deposit date: | 2011-11-25 | Release date: | 2012-03-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Structural view of a non pfam singleton and crystal packing analysis. Plos One, 7, 2012
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4OYY
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![BU of 4oyy by Molmil](/molmil-images/mine/4oyy) | |
3UUA
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![BU of 3uua by Molmil](/molmil-images/mine/3uua) | Crystal structure of hERa-LBD (Y537S) in complex with bisphenol-AF | Descriptor: | 4,4'-(1,1,1,3,3,3-hexafluoropropane-2,2-diyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 1 | Authors: | Delfosse, V, Grimaldi, M, Bourguet, W. | Deposit date: | 2011-11-28 | Release date: | 2012-08-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UJ8
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![BU of 3uj8 by Molmil](/molmil-images/mine/3uj8) | Phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with sinefungin and PO4 | Descriptor: | PHOSPHATE ION, Phosphoethanolamine N-methyltransferase, SINEFUNGIN | Authors: | Lee, S.G, Kim, Y, Alpert, T.D, Nagata, A, Jez, J.M. | Deposit date: | 2011-11-07 | Release date: | 2011-11-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | Structure and reaction mechanism of phosphoethanolamine methyltransferase from the malaria parasite Plasmodium falciparum: an antiparasitic drug target. J.Biol.Chem., 287, 2012
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4OZO
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![BU of 4ozo by Molmil](/molmil-images/mine/4ozo) | |
3UUN
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![BU of 3uun by Molmil](/molmil-images/mine/3uun) | |
4OS2
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![BU of 4os2 by Molmil](/molmil-images/mine/4os2) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | Descriptor: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | Authors: | Chen, S, Pojer, F, Heinis, C. | Deposit date: | 2014-02-12 | Release date: | 2014-09-24 | Last modified: | 2021-06-02 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
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4P05
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![BU of 4p05 by Molmil](/molmil-images/mine/4p05) | |
4OSF
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![BU of 4osf by Molmil](/molmil-images/mine/4osf) | 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2014-02-12 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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4P0O
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![BU of 4p0o by Molmil](/molmil-images/mine/4p0o) | Cleaved Serpin 42Da | Descriptor: | Serine protease inhibitor 4, isoform B | Authors: | Ellisdon, A.M, Whisstock, J.C. | Deposit date: | 2014-02-21 | Release date: | 2014-05-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster. Bmc Struct.Biol., 14, 2014
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2RCQ
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![BU of 2rcq by Molmil](/molmil-images/mine/2rcq) | Crystal structure of human apo Cellular Retinol Binding Protein II (CRBP-II) | Descriptor: | L(+)-TARTARIC ACID, Retinol-binding protein II, cellular, ... | Authors: | Monaco, H.L, Capaldi, S, Perduca, M. | Deposit date: | 2007-09-20 | Release date: | 2007-10-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of human cellular retinol-binding protein II to 1.2 A resolution. Proteins, 70, 2007
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4OSM
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![BU of 4osm by Molmil](/molmil-images/mine/4osm) | Crystal structure of the S505H mutant of TAL effector dHax3 | Descriptor: | DNA (5'-D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'), Hax3 | Authors: | Deng, D, Wu, J.P, Yan, C.Y, Pan, X.J, Yan, N. | Deposit date: | 2014-02-13 | Release date: | 2014-05-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.454 Å) | Cite: | Revisiting the TALE repeat Protein Cell, 5, 2014
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4O6H
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![BU of 4o6h by Molmil](/molmil-images/mine/4o6h) | 2.8A crystal structure of Lymphocytic Choriomeningitis Virus Nucleoprotein C-terminal Domain | Descriptor: | IMIDAZOLE, MAGNESIUM ION, Nucleoprotein, ... | Authors: | West, B.R, Hastie, K.M, Saphire, E.O. | Deposit date: | 2013-12-20 | Release date: | 2014-06-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the LCMV nucleoprotein provides a template for understanding arenavirus replication and immunosuppression. Acta Crystallogr.,Sect.D, 70, 2014
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3UVM
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![BU of 3uvm by Molmil](/molmil-images/mine/3uvm) | Crystal structure of WDR5 in complex with the WDR5-interacting motif of MLL4 | Descriptor: | Histone-lysine N-methyltransferase MLL4, WD repeat-containing protein 5 | Authors: | Zhang, P, Lee, H, Brunzelle, J.S, Couture, J.-F. | Deposit date: | 2011-11-30 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The plasticity of WDR5 peptide-binding cleft enables the binding of the SET1 family of histone methyltransferases. Nucleic Acids Res., 40, 2012
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4OT2
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![BU of 4ot2 by Molmil](/molmil-images/mine/4ot2) | Crystal Structure of Equine Serum Albumin in complex with Naproxen | Descriptor: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, ACETATE ION, MALONATE ION, ... | Authors: | Sekula, B, Bujacz, A, Zielinski, K, Bujacz, G. | Deposit date: | 2014-02-13 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural studies of bovine, equine, and leporine serum albumin complexes with naproxen. Proteins, 82, 2014
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4O7G
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![BU of 4o7g by Molmil](/molmil-images/mine/4o7g) | Crystal Structure of Ascorbate-bound Cytochrome b561, crystal soaked in 1 M L-ascorbate for 40 minutes | Descriptor: | ASCORBIC ACID, PROTOPORPHYRIN IX CONTAINING FE, Probable transmembrane ascorbate ferrireductase 2, ... | Authors: | Lu, P, Ma, D, Yan, C, Gong, X, Du, M, Shi, Y. | Deposit date: | 2013-12-24 | Release date: | 2014-02-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structure and mechanism of a eukaryotic transmembrane ascorbate-dependent oxidoreductase Proc.Natl.Acad.Sci.USA, 111, 2014
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4OTR
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![BU of 4otr by Molmil](/molmil-images/mine/4otr) | Crystal structure of BTK kinase domain complexed with 6-cyclopropyl-2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridyl]amino]-1-methyl-6-oxo-3-pyridyl]-2-(hydroxymethyl)phenyl]-8-fluoro-isoquinolin-1-one | Descriptor: | 6-cyclopropyl-2-[3-(5-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1(2H)-one, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | Authors: | Kuglstatter, A, Wong, A. | Deposit date: | 2014-02-14 | Release date: | 2014-05-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
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3UL9
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![BU of 3ul9 by Molmil](/molmil-images/mine/3ul9) | structure of the TV3 mutant M41E | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Toll-like receptor 4, ... | Authors: | Kim, H.J, Cheong, H.K, Jeon, Y.H. | Deposit date: | 2011-11-10 | Release date: | 2012-05-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure-Based Rational Design of a Toll-like Receptor 4 (TLR4) Decoy Receptor with High Binding Affinity for a Target Protein. Plos One, 7, 2012
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3UWQ
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![BU of 3uwq by Molmil](/molmil-images/mine/3uwq) | 1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Halavaty, A.S, Minasov, G, Winsor, J, Shuvalova, L, Kuhn, M, Filippova, E.V, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-12-02 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.80 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 in complex with uridine-5'-monophosphate (UMP) To be Published
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4FUD
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![BU of 4fud by Molmil](/molmil-images/mine/4fud) | Crystal Structure of the Urokinase | Descriptor: | 8-aminonaphthalene-2-carboximidamide, SODIUM ION, SUCCINIC ACID, ... | Authors: | Kang, Y.N, Stuckey, J.A, Nienaber, V, Giranda, V. | Deposit date: | 2012-06-28 | Release date: | 2012-08-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Urokinase to be published
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4OTY
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![BU of 4oty by Molmil](/molmil-images/mine/4oty) | Crystal structure of lumiracoxib bound to the apo-mouse-cyclooxygenase-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... | Authors: | Xu, S, Windsor, M.A, Banerjee, S, Marnett, L.J. | Deposit date: | 2014-02-14 | Release date: | 2014-02-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib. Bioorg.Med.Chem.Lett., 23, 2013
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