4IJA
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![BU of 4ija by Molmil](/molmil-images/mine/4ija) | Structure of S. aureus methicillin resistance factor MecR2 | Descriptor: | GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Arede, P, Botelho, T, Guevara, T, Uson, I, Oliveira, D.C, Gomis-Ruth, F.X. | Deposit date: | 2012-12-21 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Function Studies of the Staphylococcal Methicillin Resistance Antirepressor MecR2. J.Biol.Chem., 288, 2013
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3B7G
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![BU of 3b7g by Molmil](/molmil-images/mine/3b7g) | Human DEAD-box RNA helicase DDX20, Conserved domain I (DEAD) in complex with AMPPNP (Adenosine-(Beta,gamma)-imidotriphosphate) | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable ATP-dependent RNA helicase DDX20 | Authors: | Karlberg, T, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-30 | Release date: | 2007-11-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases. Plos One, 5, 2010
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6GZY
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![BU of 6gzy by Molmil](/molmil-images/mine/6gzy) | HOIP-fragment5 complex | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF31, SODIUM ION, ... | Authors: | Johansson, H, Tsai, Y.C.I, Fantom, K, Chung, C.W, Martino, L, House, D, Rittinger, K. | Deposit date: | 2018-07-05 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fragment-Based Covalent Ligand Screening Enables Rapid Discovery of Inhibitors for the RBR E3 Ubiquitin Ligase HOIP. J. Am. Chem. Soc., 141, 2019
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5TT7
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![BU of 5tt7 by Molmil](/molmil-images/mine/5tt7) | Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine Kinase (SYK) | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-5-one, Tyrosine-protein kinase SYK | Authors: | Yano, J, Jennings, A, Lam, B, Hoffman, I.D. | Deposit date: | 2016-11-01 | Release date: | 2016-11-30 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery of TAK-659 an orally available investigational inhibitor of Spleen Tyrosine Kinase (SYK). Bioorg. Med. Chem. Lett., 26, 2016
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6RMQ
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![BU of 6rmq by Molmil](/molmil-images/mine/6rmq) | Crystal structure of a selenomethionine-substituted A70M I84M mutant of the essential repressor DdrO from radiation resistant-Deinococcus bacteria (Deinococcus deserti) | Descriptor: | HTH-type transcriptional regulator DdrOC | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L. | Deposit date: | 2019-05-07 | Release date: | 2019-10-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus. Nucleic Acids Res., 47, 2019
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5II2
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![BU of 5ii2 by Molmil](/molmil-images/mine/5ii2) | Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, CITRIC ACID, POTASSIUM ION, ... | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S. | Deposit date: | 2016-03-01 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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5IJF
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![BU of 5ijf by Molmil](/molmil-images/mine/5ijf) | Crystal structure of Human Serum Albumin in the presence of 0.5 mM zinc at pH 9.0 | Descriptor: | Serum albumin, UNKNOWN LIGAND, ZINC ION | Authors: | Handing, K.B, Shabalin, I.G, Cooper, D.R, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2016-03-02 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Circulatory zinc transport is controlled by distinct interdomain sites on mammalian albumins. Chem Sci, 7, 2016
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5ILT
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![BU of 5ilt by Molmil](/molmil-images/mine/5ilt) | Crystal structure of bovine Fab A01 | Descriptor: | bovine Fab A01 heavy chain, bovine Fab A01 light chain | Authors: | Stanfield, R.L, Wilson, I.A. | Deposit date: | 2016-03-04 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conservation and diversity in the ultralong third heavy-chain complementarity-determining region of bovine antibodies. Sci Immunol, 1, 2016
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6MI0
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![BU of 6mi0 by Molmil](/molmil-images/mine/6mi0) | Crystal structure of the P450 domain of the CYP51-ferredoxin fusion protein from Methylococcus capsulatus, ligand-free state | Descriptor: | Cytochrome P450 51, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hargrove, T, Wawrzak, Z, Lamb, D.C, Lepesheva, G.I. | Deposit date: | 2018-09-18 | Release date: | 2019-07-10 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Concerning P450 evolution: Structural Analyses Support Bacterial Origin of Sterol 14 alpha-Demethylases. Mol.Biol.Evol., 2020
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4WPT
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![BU of 4wpt by Molmil](/molmil-images/mine/4wpt) | |
3BZ8
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![BU of 3bz8 by Molmil](/molmil-images/mine/3bz8) | Crystal Structures of (S)-(-)-Blebbistatin Analogs bound to Dictyostelium discoideum myosin II | Descriptor: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Allingham, J.S, Rayment, I. | Deposit date: | 2008-01-17 | Release date: | 2008-02-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The small molecule tool (S)-(-)-blebbistatin: novel insights of relevance to myosin inhibitor design. Org.Biomol.Chem., 6, 2008
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3BZS
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![BU of 3bzs by Molmil](/molmil-images/mine/3bzs) | Crystal structure of EscU C-terminal domain with N262D mutation, Space group P 21 21 21 | Descriptor: | EscU | Authors: | Zarivach, R, Deng, W, Vuckovic, M, Felise, H.B, Nguyen, H.V, Miller, S.I, Finlay, B.B, Strynadka, N.C.J. | Deposit date: | 2008-01-18 | Release date: | 2008-04-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural analysis of the essential self-cleaving type III secretion proteins EscU and SpaS. Nature, 453, 2008
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5IP2
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![BU of 5ip2 by Molmil](/molmil-images/mine/5ip2) | Tomato spotted wilt tospovirus nucleocapsid protein-ssRNA complex | Descriptor: | Nucleoprotein, RNA (5'-D(P*UP*UP*U)-3'), RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | Authors: | Komoda, K, Narita, M, Yamashita, K, Tanaka, I, Yao, M. | Deposit date: | 2016-03-09 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Asymmetric Trimeric Ring Structure of the Nucleocapsid Protein of Tospovirus. J. Virol., 91, 2017
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4IPA
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![BU of 4ipa by Molmil](/molmil-images/mine/4ipa) | Structure of a thermophilic Arx1 | Descriptor: | Putative curved DNA-binding protein, SULFATE ION | Authors: | Bange, G, Sinning, I. | Deposit date: | 2013-01-09 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Consistent mutational paths predict eukaryotic thermostability. BMC Evol Biol, 13, 2013
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5VE6
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![BU of 5ve6 by Molmil](/molmil-images/mine/5ve6) | Crystal structure of Sugen kinase 223 | Descriptor: | Tyrosine-protein kinase SgK223 | Authors: | Patel, O, Lucet, I, Panjikar, S. | Deposit date: | 2017-04-03 | Release date: | 2017-10-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.953 Å) | Cite: | Structure of SgK223 pseudokinase reveals novel mechanisms of homotypic and heterotypic association. Nat Commun, 8, 2017
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4II9
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![BU of 4ii9 by Molmil](/molmil-images/mine/4ii9) | Crystal structure of Weissella viridescens FemXVv non-ribosomal amino acid transferase in complex with a peptidyl-RNA conjugate | Descriptor: | 5-mer peptide, FemX, GLYCEROL, ... | Authors: | Li de la Sierra-Gallay, I, Fonvielle, M, van Tilbeurgh, H, Arthur, M, Etheve-Quelquejeu, M. | Deposit date: | 2012-12-20 | Release date: | 2013-07-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The Structure of FemXWv in Complex with a Peptidyl-RNA Conjugate: Mechanism of Aminoacyl Transfer from Ala-tRNA(Ala) to Peptidoglycan Precursors Angew.Chem.Int.Ed.Engl., 52, 2013
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4IIK
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![BU of 4iik by Molmil](/molmil-images/mine/4iik) | Legionella pneumophila effector | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL, ... | Authors: | Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A. | Deposit date: | 2012-12-20 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD Plos Pathog., 9, 2013
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4IIP
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![BU of 4iip by Molmil](/molmil-images/mine/4iip) | Legionella pneumophila effector | Descriptor: | Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL | Authors: | Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A. | Deposit date: | 2012-12-20 | Release date: | 2013-06-19 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD Plos Pathog., 9, 2013
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4WEU
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![BU of 4weu by Molmil](/molmil-images/mine/4weu) | Co-complex structure of the F4 fimbrial adhesin FaeG variant ad with llama single domain antibody V3 | Descriptor: | Anti-F4+ETEC bacteria VHH variable region, K88 fimbrial protein AD | Authors: | Moonens, K, Van den Broeck, I, Pardon, E, De Kerpel, M, Remaut, H, De Greve, H. | Deposit date: | 2014-09-11 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural insight in the inhibition of adherence of F4 fimbriae producing enterotoxigenic Escherichia coli by llama single domain antibodies. Vet. Res., 46, 2015
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4WGG
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![BU of 4wgg by Molmil](/molmil-images/mine/4wgg) | STRUCTURE OF THE TERNARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP AND CONIFERYL ALDEHYDE | Descriptor: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | Deposit date: | 2014-09-18 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE to be published
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5K24
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![BU of 5k24 by Molmil](/molmil-images/mine/5k24) | |
6R68
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![BU of 6r68 by Molmil](/molmil-images/mine/6r68) | Crystal structure of transthyretin in complex with CHF4795, a flurbiprofen analogue | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]propanoic acid, Transthyretin | Authors: | Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G. | Deposit date: | 2019-03-26 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin. J.Struct.Biol., 208, 2019
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6R6I
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![BU of 6r6i by Molmil](/molmil-images/mine/6r6i) | Crystal structure of transthyretin mutant A25T in complex with CHF5074, a flurbiprofen analogue | Descriptor: | 1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid, PHOSPHATE ION, Transthyretin | Authors: | Loconte, V, Menozzi, I, Ferrari, A, Berni, R, Zanotti, G. | Deposit date: | 2019-03-27 | Release date: | 2019-09-11 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | Structure-activity relationships of flurbiprofen analogues as stabilizers of the amyloidogenic protein transthyretin. J.Struct.Biol., 208, 2019
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4X3V
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![BU of 4x3v by Molmil](/molmil-images/mine/4x3v) | Crystal structure of human ribonucleotide reductase 1 bound to inhibitor | Descriptor: | N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Dealwis, C.G, Ahmad, M.F, Alam, I. | Deposit date: | 2014-12-01 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators. J.Med.Chem., 58, 2015
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6HGC
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![BU of 6hgc by Molmil](/molmil-images/mine/6hgc) | Structure of Calypso in complex with DEUBAD of ASX | Descriptor: | Polycomb protein Asx, Ubiquitin carboxyl-terminal hydrolase calypso,Ubiquitin carboxyl-terminal hydrolase calypso | Authors: | De, I, Chittock, E.C, Groetsch, H, Miller, T.C.R, McCarthy, A.A, Mueller, C.W. | Deposit date: | 2018-08-23 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural Basis for the Activation of the Deubiquitinase Calypso by the Polycomb Protein ASX. Structure, 27, 2019
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