6YVV
 
 | | Condensin complex from S.cerevisiae ATP-free apo bridged state | | 分子名称: | Condensin complex subunit 1,Ycs4, Condensin complex subunit 2,Brn1, Structural maintenance of chromosomes protein 2,Structural maintenance of chromosomes protein 2, ... | | 著者 | Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Haering, C.H, Aragon, L, Lowe, J. | | 登録日 | 2020-04-28 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | | 主引用文献 | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
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5MAE
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-car boxylic acid (1-cyano-cyclopropyl)-amide | | 分子名称: | 1,2-ETHANEDIOL, Cathepsin L1, [4-[cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide | | 著者 | Kuglstatter, A, Stihle, M, Benz, J. | | 登録日 | 2016-11-03 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket.
ChemMedChem, 12, 2017
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8ATL
 | | Discovery of IRAK4 Inhibitor 23 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N}-[6-methoxy-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indazol-5-yl]-6-[(1~{R})-2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]pyridine-2-carboxamide | | 著者 | Schafer, M, Bothe, U, Schmidt, N, Gunther, J, Nubbemeyer, R, Siebeneicher, H, Ring, S, Boemer, U, Peters, M, Denner, K, Himmel, H, Sutter, A, Terebesi, I, Lange, M, Wenger, A.M, Guimond, N, Thaler, T, Platzek, J, Eberspaecher, U, Steuber, H, Steinmeyer, A, Zollner, T.M. | | 登録日 | 2022-08-23 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.464 Å) | | 主引用文献 | Discovery of IRAK4 Inhibitors BAY1834845 (Zabedosertib) and BAY1830839 .
J.Med.Chem., 67, 2024
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8AQF
 | | CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515 | | 分子名称: | 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase | | 著者 | Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M. | | 登録日 | 2022-08-12 | | 公開日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
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3ZOV
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND | | 分子名称: | 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 1, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | 登録日 | 2013-02-25 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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7OHE
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*CP*GP*CP*GP*TP*CP*GP*AP*CP*GP*CP*G)-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-10 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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7OHM
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*CP*GP*AP*(DH)P*GP*TP*CP*G)-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-11 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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7OHJ
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*CP*GP*AP*CP*GP*TP*CP*G)-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-11 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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3ZKQ
 | | BACE2 XAPERONE COMPLEX | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-SECRETASE 2, CHLORIDE ION, ... | | 著者 | Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A. | | 登録日 | 2013-01-24 | | 公開日 | 2013-05-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
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7OGV
 | | A self-complementary DNA dodecamer duplex contaning 5-hydroxymethylcitosine | | 分子名称: | DNA (5'-D(*(P*GP*CP*GP*TP*(DH)P*GP*AP*CP*GP*CP*G-3') | | 著者 | Battistini, F, Dans, P.D, Terrazas, M, Castellazzi, C.L, Portella, G, Labrador, M, Villegas, N, Brun-Heath, I, Gonzalez, C, Orozco, M. | | 登録日 | 2021-05-07 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-06-19 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The Impact of the HydroxyMethylCytosine epigenetic signature on DNA structure and function.
Plos Comput.Biol., 17, 2021
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6YVD
 | | Head segment of the S.cerevisiae condensin holocomplex in presence of ATP | | 分子名称: | Condensin complex subunit 2, Condensin complex subunit 3, Structural maintenance of chromosomes protein 2, ... | | 著者 | Merkel, F, Haering, C.H, Hassler, M, Lee, B.G, Lowe, J. | | 登録日 | 2020-04-28 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (7.6 Å) | | 主引用文献 | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
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3F3Z
 | | Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804 | | 分子名称: | 3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-1H,2'H-2,3'-biindol-2'-one, Calcium/calmodulin-dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL | | 著者 | Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Cossar, D, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC) | | 登録日 | 2008-10-31 | | 公開日 | 2008-12-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystal structure of Cryptosporidium parvum calcium dependent protein kinase cgd7_1840 in presence of indirubin E804
To be Published
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1UA7
 | | Crystal Structure Analysis of Alpha-Amylase from Bacillus Subtilis complexed with Acarbose | | 分子名称: | 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha-amylase, ... | | 著者 | Kagawa, M, Fujimoto, Z, Momma, M, Takase, K, Mizuno, H. | | 登録日 | 2003-03-03 | | 公開日 | 2004-05-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Crystal structure of Bacillus subtilis alpha-amylase in complex with acarbose
J.BACTERIOL., 185, 2003
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2W3Y
 | | Structure of the Evf virulence factor | | 分子名称: | PALMITIC ACID, VIRULENCE FACTOR | | 著者 | Quevillon-Cheruel, S, Leulliot, N, Acosta Muniz C, C, Vincent, M, Gallay, J, Argentini, M, Cornu, D, Boccard, F, Lemaitre, B, van Tilbeurgh, H. | | 登録日 | 2008-11-17 | | 公開日 | 2008-12-30 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Evf, a Virulence Factor Produced by the Drosophila Pathogen Erwinia Carotovora is a S-Palmitoylated Protein with a New Fold that Binds to Lipid Vesicles.
J.Biol.Chem., 284, 2009
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2VSX
 | | Crystal Structure of a Translation Initiation Complex | | 分子名称: | ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT RNA HELICASE EIF4A, EUKARYOTIC INITIATION FACTOR 4F SUBUNIT P150 | | 著者 | Schutz, P, Bumann, M, Oberholzer, A.E, Bieniossek, C, Altmann, M, Trachsel, H, Baumann, U. | | 登録日 | 2008-04-30 | | 公開日 | 2008-06-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crystal Structure of the Yeast Eif4A-Eif4G Complex: An RNA-Helicase Controlled by Protein-Protein Interactions.
Proc.Natl.Acad.Sci.USA, 105, 2008
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2W5J
 | | Structure of the c14-rotor ring of the proton translocating chloroplast ATP synthase | | 分子名称: | ATP SYNTHASE C CHAIN, CHLOROPLASTIC | | 著者 | Vollmar, M, Schlieper, D, Winn, M, Buechner, C, Groth, G. | | 登録日 | 2008-12-10 | | 公開日 | 2009-05-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structure of the c14 rotor ring of the proton translocating chloroplast ATP synthase.
J. Biol. Chem., 284, 2009
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3ZOL
 | | M.acetivorans protoglobin F93Y mutant in complex with cyanide | | 分子名称: | CYANIDE ION, GLYCEROL, PROTOGLOBIN, ... | | 著者 | Tilleman, L, Abbruzzetti, S, Ciaccio, C, De Sanctis, G, Nardini, M, Pesce, A, Desmet, F, Moens, L, Van Doorslaer, S, Bruno, S, Bolognesi, M, Ascenzi, P, Coletta, M, Viappiani, C, Dewilde, S. | | 登録日 | 2013-02-22 | | 公開日 | 2014-03-12 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural Bases for the Regulation of Co Binding in the Archaeal Protoglobin from Methanosarcina Acetivorans.
Plos One, 10, 2015
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2VTH
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | | 分子名称: | 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | 登録日 | 2008-05-15 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2VTP
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide | | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | 登録日 | 2008-05-15 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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3ESY
 | | E16KE61K Flavodoxin from Anabaena | | 分子名称: | FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL | | 著者 | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Goni, G, Medina, M. | | 登録日 | 2008-10-06 | | 公開日 | 2009-02-10 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Flavodoxin: A compromise between efficiency and versatility in the electron transfer from Photosystem I to Ferredoxin-NADP(+) reductase
Biochim.Biophys.Acta, 1787, 2009
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2W52
 | | 2 beta-glucans (6-O-glucosyl-laminaritriose) in both donor and acceptor sites of GH16 Laminarinase 16A from Phanerochaete chrysosporium. | | 分子名称: | PUTATIVE LAMINARINASE, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | | 著者 | Vasur, J, Kawai, R, Andersson, E, Igarashi, K, Sandgren, M, Samejima, M, Stahlberg, J. | | 登録日 | 2008-12-03 | | 公開日 | 2009-07-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | X-Ray Crystal Structures of Phanerochaete Chrysosporium Laminarinase 16A in Complex with Products from Lichenin and Laminarin Hydrolysis
FEBS J., 276, 2009
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7EUV
 | | X-ray structure of high-strength hydrogel-grown FABP3 crystal soaked in 50% DMSO solution containing Flurbiprofen | | 分子名称: | (2R)-2-(3-fluoro-4-phenyl-phenyl)propanoic acid, Fatty acid-binding protein, heart | | 著者 | Sugiyama, S, Kakinouchi, K, Hoshina, M, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | 登録日 | 2021-05-19 | | 公開日 | 2022-05-25 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | X-ray structure of the human heart fatty acid-binding protein complexed with Flurbiprofen
To Be Published
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3ZJH
 | | Trp(60)B9Ala mutation of M.acetivorans protoglobin in complex with cyanide | | 分子名称: | CYANIDE ION, PROTOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Pesce, A, Tilleman, L, Donne, J, Aste, E, Ascenzi, P, Ciaccio, C, Coletta, M, Moens, L, Viappiani, C, Dewilde, S, Bolognesi, M, Nardini, M. | | 登録日 | 2013-01-18 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin.
Plos One, 8, 2013
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2VTM
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE | | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | 登録日 | 2008-05-15 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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2VU3
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | 分子名称: | 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | 登録日 | 2008-05-20 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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