4TVF
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![BU of 4tvf by Molmil](/molmil-images/mine/4tvf) | OxyB from Actinoplanes teichomyceticus | Descriptor: | OxyB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Haslinger, K, Cryle, M.J. | Deposit date: | 2014-06-26 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cytochrome P450 OxyBtei Catalyzes the First Phenolic Coupling Step in Teicoplanin Biosynthesis. Chembiochem, 15, 2014
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4TVV
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![BU of 4tvv by Molmil](/molmil-images/mine/4tvv) | Crystal structure of LppA from Legionella pneumophila | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Weber, S, Stirnimann, C, Wieser, M, Meier, R, Engelhardt, S, Li, X, Capitani, G, Kammerer, R, Hilbi, H. | Deposit date: | 2014-06-28 | Release date: | 2014-11-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | A Type IV Translocated Legionella Cysteine Phytase Counteracts Intracellular Growth Restriction by Phytate. J.Biol.Chem., 289, 2014
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4U86
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![BU of 4u86 by Molmil](/molmil-images/mine/4u86) | Human Pin1 with cysteine sulfonic acid 113 | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Li, W, Zhang, Y. | Deposit date: | 2014-08-01 | Release date: | 2015-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pin1 cysteine-113 oxidation inhibits its catalytic activity and cellular function in Alzheimer's disease. Neurobiol.Dis., 76, 2015
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4U8G
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![BU of 4u8g by Molmil](/molmil-images/mine/4u8g) | Crystal structure of 2-keto-3-deoxy-D-gluconate dehydrogenase from Streptococcus agalactiae | Descriptor: | Putative uncharacterized protein gbs1891 | Authors: | Maruyama, Y, Oiki, S, Takase, R, Mikami, B, Murata, K, Hashimoto, W. | Deposit date: | 2014-08-03 | Release date: | 2014-12-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Metabolic Fate of Unsaturated Glucuronic/Iduronic Acids from Glycosaminoglycans: MOLECULAR IDENTIFICATION AND STRUCTURE DETERMINATION OF STREPTOCOCCAL ISOMERASE AND DEHYDROGENASE. J.Biol.Chem., 290, 2015
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4U8Z
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![BU of 4u8z by Molmil](/molmil-images/mine/4u8z) | Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06447475) | Descriptor: | 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile, MANGANESE (II) ION, Serine/threonine-protein kinase 24 | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-05 | Release date: | 2015-03-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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6D7W
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![BU of 6d7w by Molmil](/molmil-images/mine/6d7w) | Cryo-EM structure of the mitochondrial calcium uniporter from N. fischeri at 3.8 Angstrom resolution | Descriptor: | CALCIUM ION, Mitochondrial calcium uniporter | Authors: | Nguyen, N.X, Armache, J.-P, Cheng, Y, Bai, X.C. | Deposit date: | 2018-04-25 | Release date: | 2018-07-11 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of a fungal mitochondrial calcium uniporter. Nature, 559, 2018
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6D8A
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![BU of 6d8a by Molmil](/molmil-images/mine/6d8a) | RsAgo Ternary Complex with guide RNA and Target DNA Containing A-A Bulge Within the Seed Segment of the Target Strand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*TP*GP*CP*AP*GP*AP*AP*TP*AP*AP*C)-3'), ... | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | Deposit date: | 2018-04-26 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA. Cell Rep, 24, 2018
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4UAN
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![BU of 4uan by Molmil](/molmil-images/mine/4uan) | |
4UB7
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![BU of 4ub7 by Molmil](/molmil-images/mine/4ub7) | High-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26) showing an extreme distortion of the ATP-binding loop combined with a pi-halogen bond | Descriptor: | 4-(6,8-dibromo-3-hydroxy-4-oxo-4H-chromen-2-yl)benzoic acid, CHLORIDE ION, Casein kinase II subunit alpha | Authors: | Niefind, K, Bischoff, N, Guerra, B, Golub, A, Issinger, O.-G. | Deposit date: | 2014-08-12 | Release date: | 2015-07-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2 alpha Complex Structures. Acs Chem.Biol., 10, 2015
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4TYL
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![BU of 4tyl by Molmil](/molmil-images/mine/4tyl) | Fragment-Based Screening of the Bromodomain of ATAD2 | Descriptor: | 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ... | Authors: | Harner, M.J, Chauder, B.A, Phan, J, Fesik, S.W. | Deposit date: | 2014-07-08 | Release date: | 2014-10-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem., 57, 2014
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4UBK
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![BU of 4ubk by Molmil](/molmil-images/mine/4ubk) | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 7.40 MGy at 100K | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | Deposit date: | 2014-08-13 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography Structure, 24, 2016
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4TYP
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![BU of 4typ by Molmil](/molmil-images/mine/4typ) | Crystal structure of an adenylate kinase mutant--AKm1 | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ZINC ION | Authors: | Moon, S, Bae, E. | Deposit date: | 2014-07-09 | Release date: | 2014-11-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of thermally stable adenylate kinase mutants designed by local structural entropy optimization and structure-guided mutagenesis J KOREAN SOC APPL BIOL CHEM, 57, 2014
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4TZN
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![BU of 4tzn by Molmil](/molmil-images/mine/4tzn) | Structure of HTP-2 bound to HTP-3 motif-6 | Descriptor: | Protein HTP-2, Protein HTP-3 | Authors: | Rosenberg, S.C, Corbett, K.D. | Deposit date: | 2014-07-10 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.115 Å) | Cite: | The Chromosome Axis Controls Meiotic Events through a Hierarchical Assembly of HORMA Domain Proteins. Dev.Cell, 31, 2014
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4U3A
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![BU of 4u3a by Molmil](/molmil-images/mine/4u3a) | Crystal structure of CtCel5E | Descriptor: | Endoglucanase H | Authors: | Yuan, S.F, Liang, P.H, Ho, M.C. | Deposit date: | 2014-07-19 | Release date: | 2015-01-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum J.Biol.Chem., 290, 2015
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4U01
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![BU of 4u01 by Molmil](/molmil-images/mine/4u01) | HCV NS3/4A serine protease in complex with 6570 | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | Deposit date: | 2014-07-11 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg.Med.Chem.Lett., 25, 2015
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4U0Q
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![BU of 4u0q by Molmil](/molmil-images/mine/4u0q) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin | Descriptor: | Basigin, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-14 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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4U1B
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![BU of 4u1b by Molmil](/molmil-images/mine/4u1b) | HsMetAP in complex with (1-amino-2-propylpentyl)phosphonic acid | Descriptor: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-15 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U97
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![BU of 4u97 by Molmil](/molmil-images/mine/4u97) | Crystal Structure of Asymmetric IRAK4 Dimer | Descriptor: | Interleukin-1 receptor-associated kinase 4, STAUROSPORINE, SULFATE ION | Authors: | Ferrao, R, Wu, H. | Deposit date: | 2014-08-05 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | IRAK4 Dimerization and trans-Autophosphorylation Are Induced by Myddosome Assembly. Mol.Cell, 55, 2014
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4U9K
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![BU of 4u9k by Molmil](/molmil-images/mine/4u9k) | Crystal structure of an H-NOX protein from S. oneidensis in the Mn(II)NO ligation state, Q154A/Q155A/K156A mutant | Descriptor: | MANGANESE PROTOPORPHYRIN IX, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ... | Authors: | Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A. | Deposit date: | 2014-08-06 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins. Proc.Natl.Acad.Sci.USA, 111, 2014
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4U6J
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![BU of 4u6j by Molmil](/molmil-images/mine/4u6j) | HsMetAP in complex with methionine | Descriptor: | COBALT (II) ION, GLYCEROL, METHIONINE, ... | Authors: | Arya, T, Addlagatta, A. | Deposit date: | 2014-07-29 | Release date: | 2015-03-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases J.Med.Chem., 58, 2015
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4U6S
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![BU of 4u6s by Molmil](/molmil-images/mine/4u6s) | CtBP1 in complex with substrate phenylpyruvate | Descriptor: | 3-PHENYLPYRUVIC ACID, C-terminal-binding protein 1, CALCIUM ION, ... | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | Deposit date: | 2014-07-29 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP. Acs Chem.Biol., 10, 2015
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4UAL
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![BU of 4ual by Molmil](/molmil-images/mine/4ual) | MRCK beta in complex with BDP00005290 | Descriptor: | 1,2-ETHANEDIOL, 4-chloro-1-(piperidin-4-yl)-N-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | Authors: | Schuettelkopf, A.W. | Deposit date: | 2014-08-10 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | A novel small-molecule MRCK inhibitor blocks cancer cell invasion. Cell Commun. Signal, 12, 2014
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4U77
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![BU of 4u77 by Molmil](/molmil-images/mine/4u77) | BTB domain from Drosophila CP190 | Descriptor: | Centrosome-associated zinc finger protein CP190, DIMETHYL SULFOXIDE, GLYCEROL | Authors: | Allemand, F, Cohen-Gonsaud, M, Labesse, G, Nollmann, M. | Deposit date: | 2014-07-30 | Release date: | 2014-08-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Chromatin Insulator Factors Involved in Long-Range DNA Interactions and Their Role in the Folding of the Drosophila Genome. Plos Genet., 10, 2014
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4UBJ
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![BU of 4ubj by Molmil](/molmil-images/mine/4ubj) | KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 5.55 MGy at 100K | Descriptor: | DIETHYL HYDROGEN PHOSPHATE, E3 | Authors: | Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G. | Deposit date: | 2014-08-13 | Release date: | 2015-08-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography Structure, 24, 2016
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4U7N
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![BU of 4u7n by Molmil](/molmil-images/mine/4u7n) | Inactive structure of histidine kinase | Descriptor: | Histidine protein kinase sensor protein | Authors: | Cai, Y, Hu, X, Sang, J. | Deposit date: | 2014-07-31 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Conformational dynamics of the essential sensor histidine kinase WalK. Acta Crystallogr D Struct Biol, 73, 2017
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