2X8M
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2X8I
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![BU of 2x8i by Molmil](/molmil-images/mine/2x8i) | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | Descriptor: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | Deposit date: | 2010-03-09 | Release date: | 2010-08-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration. Bioorg.Med.Chem., 20, 2010
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3M3J
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![BU of 3m3j by Molmil](/molmil-images/mine/3m3j) | A new crystal form of Lys48-linked diubiquitin | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Ubiquitin | Authors: | Trempe, J.F, Brown, N.R, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2010-03-09 | Release date: | 2010-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A new crystal form of Lys48-linked diubiquitin. Acta Crystallogr.,Sect.F, 66, 2010
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4C75
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![BU of 4c75 by Molmil](/molmil-images/mine/4c75) | Consensus (ALL-CON) beta-lactamase class A | Descriptor: | ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2013-09-19 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins. Proteins, 82, 2014
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4C94
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![BU of 4c94 by Molmil](/molmil-images/mine/4c94) | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin | Descriptor: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN | Authors: | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | Deposit date: | 2013-10-02 | Release date: | 2013-10-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Strawberry Pathogenesis-Related 10 (Pr-10) Fra a Proteins Control Flavonoid Biosynthesis by Binding to Metabolic Intermediates. J.Biol.Chem., 288, 2013
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4C6Y
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![BU of 4c6y by Molmil](/molmil-images/mine/4c6y) | Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A | Descriptor: | ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | Deposit date: | 2013-09-19 | Release date: | 2014-04-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins. Proteins, 82, 2014
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2XO6
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![BU of 2xo6 by Molmil](/molmil-images/mine/2xo6) | DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE Y132F MUTANT COMPLEXED WITH LEFT END RECOGNITION AND CLEAVAGE SITE | Descriptor: | 5'-D(*TP*TP*GP*AP*TP*G)-3', ACETATE ION, CADMIUM ION, ... | Authors: | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | Deposit date: | 2010-08-09 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans. Embo J., 29, 2010
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3NQC
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![BU of 3nqc by Molmil](/molmil-images/mine/3nqc) | Crystal structure of the mutant I96S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-06-29 | Release date: | 2011-05-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.531 Å) | Cite: | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: importance of residues in the orotate binding site. Biochemistry, 50, 2011
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3O6H
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![BU of 3o6h by Molmil](/molmil-images/mine/3o6h) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(ethylamino)methyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Maclean, J.K.F, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Martin, F, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-07-29 | Release date: | 2010-09-15 | Last modified: | 2017-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization. Bioorg.Med.Chem.Lett., 20, 2010
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2V4L
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![BU of 2v4l by Molmil](/molmil-images/mine/2v4l) | complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with PIK-284 | Descriptor: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Apsel, B, Gonzalez, B, Blair, J.A, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeted Polypharmacology: Discovery of Dual Inhibitors of Tyrosine and Phosphoinositide Kinases. Nat.Chem.Biol., 4, 2008
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2VIM
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![BU of 2vim by Molmil](/molmil-images/mine/2vim) | X-ray structure of Fasciola hepatica thioredoxin | Descriptor: | THIOREDOXIN | Authors: | Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A. | Deposit date: | 2007-12-05 | Release date: | 2008-07-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States. Mol.Biochem.Parasitol., 161, 2008
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3PT8
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![BU of 3pt8 by Molmil](/molmil-images/mine/3pt8) | Structure of HbII-III-CN from Lucina pectinata at pH 5.0 | Descriptor: | CYANIDE ION, FORMIC ACID, GLYCEROL, ... | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.762 Å) | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata. To be Published
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2VEE
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![BU of 2vee by Molmil](/molmil-images/mine/2vee) | Structure of protoglobin from Methanosarcina acetivorans C2A | Descriptor: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | Deposit date: | 2007-10-22 | Release date: | 2008-01-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity. Embo Rep., 9, 2008
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2V5U
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![BU of 2v5u by Molmil](/molmil-images/mine/2v5u) | I92A FLAVODOXIN FROM ANABAENA | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | Authors: | Martinez-Julvez, M, Herguedas, B, Frago, S, Serrano, A, Molina, R, Hamiaux, C, Schierbeek, B, Medina, M, Hermoso, J.A. | Deposit date: | 2007-07-10 | Release date: | 2007-10-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin. Arch.Biochem.Biophys., 467, 2007
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2W2B
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![BU of 2w2b by Molmil](/molmil-images/mine/2w2b) | Crystal Structure of single point mutant Tyr20Phe p-coumaric Acid Decarboxylase from Lactobacillus plantarum: structural insights into the active site and decarboxylation catalytic mechanism | Descriptor: | ACETATE ION, ISOPROPYL ALCOHOL, P-COUMARIC ACID DECARBOXYLASE | Authors: | Rodriguez, H, Angulo, I, de las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | Deposit date: | 2008-10-27 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | P-Coumaric Acid Decarboxylase from Lactobacillus Plantarum: Structural Insights Into the Active Site and Decarboxylation Catalytic Mechanism. Proteins, 78, 2010
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2W06
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![BU of 2w06 by Molmil](/molmil-images/mine/2w06) | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | Descriptor: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | Authors: | Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Byth, K.F, Culshaw, J.D, Finlay, M.R.V, Fisher, E, Mcmiken, H.H.J, Green, C.P, Heaton, D.W, Nash, I.A, Newcombe, N.J, Oakes, S.E, Roberts, A, Stanway, J.J, Thomas, A.P, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-08-08 | Release date: | 2008-09-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3PMF
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![BU of 3pmf by Molmil](/molmil-images/mine/3pmf) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A. | Deposit date: | 2010-11-16 | Release date: | 2011-11-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cavities determine the pressure unfolding of proteins. Proc.Natl.Acad.Sci.USA, 109, 2012
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3PMW
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![BU of 3pmw by Molmil](/molmil-images/mine/3pmw) | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | Descriptor: | DIMETHYL SULFOXIDE, GLUTAMIC ACID, GLYCEROL, ... | Authors: | Maclean, J.K.F, Jamieson, C, Brown, C.I, Campbell, R.A, Gillen, K.J, Gillespie, J, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Pantling, J, Rankovic, Z, Smith, L. | Deposit date: | 2010-11-18 | Release date: | 2011-01-12 | Last modified: | 2023-05-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure based evolution of a novel series of positive modulators of the AMPA receptor. Bioorg.Med.Chem.Lett., 21, 2011
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3PWG
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![BU of 3pwg by Molmil](/molmil-images/mine/3pwg) | Crystal structure of the mutant S29G.P34A of D-Glucarate dehydratase from Escherichia coli complexed with product 5-keto-4-deoxy-D-Glucarate | Descriptor: | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE, GLYCEROL, Glucarate dehydratase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | Deposit date: | 2010-12-08 | Release date: | 2011-12-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the mutant S29G.P34A of D-Glucarate dehydratase from Escherichia Coli complexed with product 5-keto-4-deoxy-D-Glucarate To be Published
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3PT7
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![BU of 3pt7 by Molmil](/molmil-images/mine/3pt7) | Structure of HbII-III-Oxy from Lucina pectinata at pH 5.0 | Descriptor: | GLYCEROL, Hemoglobin II, Hemoglobin III, ... | Authors: | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | Deposit date: | 2010-12-02 | Release date: | 2011-12-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata. To be Published
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2W47
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![BU of 2w47 by Molmil](/molmil-images/mine/2w47) | Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ... | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2008-11-21 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2W87
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![BU of 2w87 by Molmil](/molmil-images/mine/2w87) | Xyl-CBM35 in complex with glucuronic acid containing disaccharide. | Descriptor: | CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ... | Authors: | Montainer, C, Bueren, A.L.v, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | Deposit date: | 2009-01-14 | Release date: | 2009-01-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function. Proc.Natl.Acad.Sci.USA, 106, 2009
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2Y2W
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![BU of 2y2w by Molmil](/molmil-images/mine/2y2w) | Elucidation of the substrate specificity and protein structure of AbfB, a family 51 alpha-L-arabinofuranosidase from Bifidobacterium longum. | Descriptor: | ARABINOFURANOSIDASE | Authors: | Lagaert, S, Schoepe, J, Delcour, J.A, Lavigne, R, Strelkov, S.V, Courtin, C.M, Mikkelsen, N.E, Sandgren, M, Volckaert, G. | Deposit date: | 2010-12-16 | Release date: | 2011-12-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Elucidation of the Substrate Specificity and Protein Structure of Abfb, a Family 51 Alpha-L- Arabinofuranosidase from Bifidobacterium Longum. To be Published
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2XLJ
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![BU of 2xlj by Molmil](/molmil-images/mine/2xlj) | Crystal structure of the Csy4-crRNA complex, hexagonal form | Descriptor: | 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*A*DG*C)-3', CSY4 ENDORIBONUCLEASE | Authors: | Haurwitz, R.E, Jinek, M, Wiedenheft, B, Zhou, K, Doudna, J.A. | Deposit date: | 2010-07-20 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sequence- and Structure-Specific RNA Processing by a Crispr Endonuclease. Science, 329, 2010
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2XMA
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![BU of 2xma by Molmil](/molmil-images/mine/2xma) | DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE RIGHT END DNA COMPLEX | Descriptor: | DRA2 TRANSPOSASE RIGHT END RECOGNITION SITE, MAGNESIUM ION, TRANSPOSASE | Authors: | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | Deposit date: | 2010-07-26 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans. Embo J., 29, 2010
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