2X8E
 
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A. | | 登録日 | 2010-03-09 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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2X8M
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2X8I
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | | 登録日 | 2010-03-09 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | 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
 | | A new crystal form of Lys48-linked diubiquitin | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Ubiquitin | | 著者 | Trempe, J.F, Brown, N.R, Noble, M.E.M, Endicott, J.A. | | 登録日 | 2010-03-09 | | 公開日 | 2010-03-23 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | A new crystal form of Lys48-linked diubiquitin.
Acta Crystallogr.,Sect.F, 66, 2010
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4C75
 | | Consensus (ALL-CON) beta-lactamase class A | | 分子名称: | ACETATE ION, BETA-LACTAMASE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | | 登録日 | 2013-09-19 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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4C94
 | | Crystal Structure of the Strawberry Pathogenesis-Related 10 (PR-10) Fra a 3 protein in complex with Catechin | | 分子名称: | (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, FRA A 3 ALLERGEN | | 著者 | Casanal, A, Zander, U, Valpuesta, V, Marquez, J.A. | | 登録日 | 2013-10-02 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | 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
 | | Ancestral PNCA (last common ancestors of Gram-positive and Gram- negative bacteria) beta-lactamase class A | | 分子名称: | ACETATE ION, BETA-LACTAMASE, CHLORIDE ION, ... | | 著者 | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M. | | 登録日 | 2013-09-19 | | 公開日 | 2014-04-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Phenotypic Comparisons of Consensus Variants Versus Laboratory Resurrections of Precambrian Proteins.
Proteins, 82, 2014
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2XO6
 | | DEINOCOCCUS RADIODURANS ISDRA2 TRANSPOSASE Y132F MUTANT COMPLEXED WITH LEFT END RECOGNITION AND CLEAVAGE SITE | | 分子名称: | 5'-D(*TP*TP*GP*AP*TP*G)-3', ACETATE ION, CADMIUM ION, ... | | 著者 | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | | 登録日 | 2010-08-09 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans.
Embo J., 29, 2010
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3NQC
 | | Crystal structure of the mutant I96S of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with inhibitor BMP | | 分子名称: | 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine 5'-phosphate decarboxylase | | 著者 | Fedorov, A.A, Fedorov, E.V, Wood, B.M, Gerlt, J.A, Almo, S.C. | | 登録日 | 2010-06-29 | | 公開日 | 2011-05-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.531 Å) | | 主引用文献 | 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
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | 分子名称: | 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, ... | | 著者 | 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. | | 登録日 | 2010-07-29 | | 公開日 | 2010-09-15 | | 最終更新日 | 2017-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | 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
 | | complex of human phosphoinositide 3-kinase catalytic subunit gamma (p110 gamma) with PIK-284 | | 分子名称: | 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 | | 著者 | Apsel, B, Gonzalez, B, Blair, J.A, Nazif, T.M, Feldman, M.E, Williams, R.L, Shokat, K.M, Knight, Z.A. | | 登録日 | 2008-09-25 | | 公開日 | 2008-10-14 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Targeted Polypharmacology: Discovery of Dual Inhibitors of Tyrosine and Phosphoinositide Kinases.
Nat.Chem.Biol., 4, 2008
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2VIM
 | | X-ray structure of Fasciola hepatica thioredoxin | | 分子名称: | THIOREDOXIN | | 著者 | Line, K, Isupov, M.N, Garcia-Rodriguez, E, Maggioli, G, Parra, F, Littlechild, J.A. | | 登録日 | 2007-12-05 | | 公開日 | 2008-07-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | The Fasciola Hepatica Thioredoxin: High Resolution Structure Reveals Two Oxidation States.
Mol.Biochem.Parasitol., 161, 2008
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3PT8
 | | Structure of HbII-III-CN from Lucina pectinata at pH 5.0 | | 分子名称: | CYANIDE ION, FORMIC ACID, GLYCEROL, ... | | 著者 | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | 登録日 | 2010-12-02 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.762 Å) | | 主引用文献 | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata.
To be Published
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2VEE
 | | Structure of protoglobin from Methanosarcina acetivorans C2A | | 分子名称: | PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Nardini, M, Pesce, A, Thijs, L, Saito, J.A, Dewilde, S, Alam, M, Ascenzi, P, Coletta, M, Ciaccio, C, Moens, L, Bolognesi, M. | | 登録日 | 2007-10-22 | | 公開日 | 2008-01-22 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Archaeal Protoglobin Structure Indicates New Ligand Diffusion Paths and Modulation of Haem-Reactivity.
Embo Rep., 9, 2008
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2V5U
 | | I92A FLAVODOXIN FROM ANABAENA | | 分子名称: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | 著者 | Martinez-Julvez, M, Herguedas, B, Frago, S, Serrano, A, Molina, R, Hamiaux, C, Schierbeek, B, Medina, M, Hermoso, J.A. | | 登録日 | 2007-07-10 | | 公開日 | 2007-10-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | 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
 | | Crystal Structure of single point mutant Tyr20Phe p-coumaric Acid Decarboxylase from Lactobacillus plantarum: structural insights into the active site and decarboxylation catalytic mechanism | | 分子名称: | ACETATE ION, ISOPROPYL ALCOHOL, P-COUMARIC ACID DECARBOXYLASE | | 著者 | Rodriguez, H, Angulo, I, de las Rivas, B, Campillo, N, Paez, J.A, Munoz, R, Mancheno, J.M. | | 登録日 | 2008-10-27 | | 公開日 | 2009-11-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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
 | | Structure of CDK2 in complex with an imidazolyl pyrimidine, compound 5c | | 分子名称: | 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | 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. | | 登録日 | 2008-08-08 | | 公開日 | 2008-09-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Imidazoles: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3PMF
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23A at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Caro, J.A, Clark, I, Schlessman, J.L, Garcia-Moreno E, B, Heroux, A. | | 登録日 | 2010-11-16 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3PMW
 | | Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator | | 分子名称: | DIMETHYL SULFOXIDE, GLUTAMIC ACID, GLYCEROL, ... | | 著者 | 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. | | 登録日 | 2010-11-18 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-05-31 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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
 | | Crystal structure of the mutant S29G.P34A of D-Glucarate dehydratase from Escherichia coli complexed with product 5-keto-4-deoxy-D-Glucarate | | 分子名称: | 2,3-DIHYDROXY-5-OXO-HEXANEDIOATE, GLYCEROL, Glucarate dehydratase, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C. | | 登録日 | 2010-12-08 | | 公開日 | 2011-12-28 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
 | | Structure of HbII-III-Oxy from Lucina pectinata at pH 5.0 | | 分子名称: | GLYCEROL, Hemoglobin II, Hemoglobin III, ... | | 著者 | Gavira, J.A, Ruiz-Martinez, C.R, Nieves-Marrero, C.A, Estremera-Andujar, R.A, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | 登録日 | 2010-12-02 | | 公開日 | 2011-12-07 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | New Crystallographic Structure of HbII-III-Oxy and CN forms from Lucina pectinata.
To be Published
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2W47
 | | Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid | | 分子名称: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ... | | 著者 | 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. | | 登録日 | 2008-11-21 | | 公開日 | 2009-01-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | 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
 | | Xyl-CBM35 in complex with glucuronic acid containing disaccharide. | | 分子名称: | CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ... | | 著者 | 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. | | 登録日 | 2009-01-14 | | 公開日 | 2009-01-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | 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
 | | Elucidation of the substrate specificity and protein structure of AbfB, a family 51 alpha-L-arabinofuranosidase from Bifidobacterium longum. | | 分子名称: | ARABINOFURANOSIDASE | | 著者 | Lagaert, S, Schoepe, J, Delcour, J.A, Lavigne, R, Strelkov, S.V, Courtin, C.M, Mikkelsen, N.E, Sandgren, M, Volckaert, G. | | 登録日 | 2010-12-16 | | 公開日 | 2011-12-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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
 | | Crystal structure of the Csy4-crRNA complex, hexagonal form | | 分子名称: | 5'-R(*CP*UP*GP*CP*CP*GP*UP*AP*UP*AP*GP*GP*CP*A*DG*C)-3', CSY4 ENDORIBONUCLEASE | | 著者 | Haurwitz, R.E, Jinek, M, Wiedenheft, B, Zhou, K, Doudna, J.A. | | 登録日 | 2010-07-20 | | 公開日 | 2010-09-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Sequence- and Structure-Specific RNA Processing by a Crispr Endonuclease.
Science, 329, 2010
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