2YM5
 
 | | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | | 分子名称: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | | 登録日 | 2011-06-06 | | 公開日 | 2012-01-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing.
J.Med.Chem., 54, 2011
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2CKN
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1HLO
 | | THE CRYSTAL STRUCTURE OF AN INTACT HUMAN MAX-DNA COMPLEX: NEW INSIGHTS INTO MECHANISMS OF TRANSCRIPTIONAL CONTROL | | 分子名称: | DNA (5'-D(*AP*CP*CP*AP*CP*GP*TP*GP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*CP*AP*CP*GP*TP*GP*GP*T)-3'), PROTEIN (TRANSCRIPTION FACTOR MAX) | | 著者 | Brownlie, P, Ceska, T.A, Lamers, M, Romier, C, Theo, H, Suck, D. | | 登録日 | 1997-09-10 | | 公開日 | 1997-10-27 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | The crystal structure of an intact human Max-DNA complex: new insights into mechanisms of transcriptional control.
Structure, 5, 1997
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1YG5
 | | T-To-T(High) quaternary transitions in human hemoglobin: betaW37H OXY (2MM IHP, 20% PEG) (10 test sets) | | 分子名称: | Hemoglobin alpha chain, Hemoglobin beta chain, OXYGEN MOLECULE, ... | | 著者 | Kavanaugh, J.S, Rogers, P.H, Arnone, A. | | 登録日 | 2005-01-04 | | 公開日 | 2005-01-11 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystallographic evidence for a new ensemble of ligand-induced allosteric transitions in hemoglobin: the T-to-T(high) quaternary transitions.
Biochemistry, 44, 2005
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2CH7
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1HMT
 | | 1.4 ANGSTROMS STRUCTURAL STUDIES ON HUMAN MUSCLE FATTY ACID BINDING PROTEIN: BINDING INTERACTIONS WITH THREE SATURATED AND UNSATURATED C18 FATTY ACIDS | | 分子名称: | MUSCLE FATTY ACID BINDING PROTEIN, STEARIC ACID | | 著者 | Young, A.C.M, Scapin, G, Kromminga, A, Patel, S.B, Veerkamp, J.H, Sacchettini, J.C. | | 登録日 | 1994-01-02 | | 公開日 | 1995-05-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural studies on human muscle fatty acid binding protein at 1.4 A resolution: binding interactions with three C18 fatty acids.
Structure, 2, 1994
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1HPJ
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2YAB
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3UMW
 | | Crystal structure of Pim1 kinase in complex with inhibitor (Z)-2-[(1H-indazol-3-yl)methylene]-6-methoxy-7-(piperazin-1-ylmethyl)benzofuran-3(2H)-one | | 分子名称: | (2Z)-2-(1H-indazol-3-ylmethylidene)-6-methoxy-7-(piperazin-1-ylmethyl)-1-benzofuran-3(2H)-one, GLYCEROL, Proto-oncogene serine/threonine-protein kinase pim-1, ... | | 著者 | Parker, L.J, Handa, N, Yokoyama, S. | | 登録日 | 2011-11-14 | | 公開日 | 2012-10-03 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound.
J.Med.Chem., 55, 2012
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1HN2
 | | CRYSTAL STRUCTURE OF BOVINE OBP COMPLEXED WITH AMINOANTHRACENE | | 分子名称: | (3R)-oct-1-en-3-ol, ANTHRACEN-1-YLAMINE, ODORANT-BINDING PROTEIN | | 著者 | Vincent, F, Spinelli, S, Tegoni, M, Cambillau, C. | | 登録日 | 2000-12-05 | | 公開日 | 2001-12-05 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The insect attractant 1-octen-3-ol is the natural ligand of bovine odorant-binding protein.
J.Biol.Chem., 276, 2001
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1HQP
 | | CRYSTAL STRUCTURE OF A TRUNCATED FORM OF PORCINE ODORANT-BINDING PROTEIN | | 分子名称: | 2-ISOBUTYL-3-METHOXYPYRAZINE, ODORANT-BINDING PROTEIN | | 著者 | Perduca, M, Mancia, F, Del Giorgio, R, Monaco, H.L. | | 登録日 | 2000-12-19 | | 公開日 | 2001-01-17 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of a truncated form of porcine odorant-binding protein.
Proteins, 42, 2001
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1YIK
 | | Structure of Hen egg white lysozyme soaked with Cu-cyclam | | 分子名称: | 1,4,8,11-TETRAAZA-CYCLOTETRADECANE CU(II), ACETATE ION, CHLORIDE ION, ... | | 著者 | Hunter, T.M, McNae, I.W, Liang, X, Bella, J, Parsons, S, Walkinshaw, M.D, Sadler, P.J. | | 登録日 | 2005-01-12 | | 公開日 | 2005-02-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Protein recognition of macrocycles: binding of anti-HIV metallocyclams to lysozyme
Proc.Natl.Acad.Sci.Usa, 102, 2005
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2YCS
 | | Crystal structure of checkpoint kinase 2 in complex with PV788 | | 分子名称: | N-{4-[(1E)-N-CARBAMIMIDOYLETHANEHYDRAZONOYL]PHENYL}-1H-INDOLE-3-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C.R, Pommier, Y, Shoemaker, R.H, Zhang, G, Waugh, D.S. | | 登録日 | 2011-03-16 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural Characterization of Inhibitor Complexes with Checkpoint Kinase 2 (Chk2), a Drug Target for Cancer Therapy.
J.Struct.Biol., 176, 2011
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1HRN
 | | HIGH RESOLUTION CRYSTAL STRUCTURES OF RECOMBINANT HUMAN RENIN IN COMPLEX WITH POLYHYDROXYMONOAMIDE INHIBITORS | | 分子名称: | (2R,4S,5S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-(cyclopropylmethyl)-4,5-dihydroxy-6-phenylhexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, RENIN | | 著者 | Tong, L, Anderson, P.C. | | 登録日 | 1995-03-31 | | 公開日 | 1995-06-03 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | High resolution crystal structures of recombinant human renin in complex with polyhydroxymonoamide inhibitors.
J.Mol.Biol., 250, 1995
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2CKU
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1HPO
 | | HIV-1 PROTEASE TRIPLE MUTANT/U103265 COMPLEX | | 分子名称: | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE, HIV-1 PROTEASE | | 著者 | Watenpaugh, K.D, Janakiraman, M.N. | | 登録日 | 1996-12-10 | | 公開日 | 1997-04-21 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-based design of nonpeptidic HIV protease inhibitors: the sulfonamide-substituted cyclooctylpyramones.
J.Med.Chem., 40, 1997
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1Y0D
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1Y0T
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2YIT
 | | Structural analysis of checkpoint kinase 2 in complex with PV1162, a novel inhibitor | | 分子名称: | N-{4-[(1E)-N-carbamimidoylbutanehydrazonoyl]phenyl}-5-methoxy-1H-indole-2-carboxamide, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | | 登録日 | 2011-05-16 | | 公開日 | 2011-09-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket.
FEBS Lett., 585, 2011
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1Y38
 | | Crystal structure of the complex formed between phospholipase A2 dimer and glycerophosphate at 2.4 A resolution | | 分子名称: | Phospholipase A2 VRV-PL-VIIIa, SN-GLYCEROL-3-PHOSPHATE, SODIUM ION, ... | | 著者 | Singh, N, Jabeen, T, Sharma, S, Singh, T.P. | | 登録日 | 2004-11-24 | | 公開日 | 2005-05-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Crystal structure of the complex formed between phospholipase A2 dimer and glycerophosphate at 2.4 A resolution
To be Published
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3UDB
 | | Crystal structure of SnRK2.6 | | 分子名称: | CHLORIDE ION, Serine/threonine-protein kinase SRK2E | | 著者 | Xie, T, Ren, R, Pang, Y, Yan, C. | | 登録日 | 2011-10-27 | | 公開日 | 2011-11-16 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.567 Å) | | 主引用文献 | Molecular mechanism for the inhibition of a critical component in the Arabidopsis thaliana abscisic acid signal transduction pathways, SnRK2.6, by the protein phosphatase ABI1
to be published
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2COT
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2UV2
 | | Crystal Structure Of Human Ste20-Like Kinase Bound To 4-(4-(5- Cyclopropyl-1H-pyrazol-3-ylamino)-quinazolin-2-ylamino)-phenyl)- acetonitrile | | 分子名称: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE, THIOCYANATE ION, ... | | 著者 | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, Debreczeni, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | | 登録日 | 2007-03-08 | | 公開日 | 2007-03-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
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1Y3X
 | | TRYPSIN INHIBITOR COMPLEX | | 分子名称: | (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE, CALCIUM ION, Trypsinogen, ... | | 著者 | Fokkens, J, Klebe, G. | | 登録日 | 2004-11-26 | | 公開日 | 2005-12-06 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates.
Angew.Chem.Int.Ed.Engl., 45, 2006
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1HV7
 | | PORCINE PANCREATIC ELASTASE COMPLEXED WITH GW311616A | | 分子名称: | ELASTASE 1, N-[2-(1-FORMYL-2-METHYL-PROPYL)-1-(4-PIPERIDIN-1-YL-BUT-2-ENOYL)-PYRROLIDIN-3-YL]-METHANESULFONAMIDE, SULFATE ION | | 著者 | Skarzynski, T, Singh, O.M. | | 登録日 | 2001-01-08 | | 公開日 | 2001-01-17 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The discovery of a potent, intracellular, orally bioavailable, long duration inhibitor of human neutrophil elastase--GW311616A a development candidate
Bioorg.Med.Chem.Lett., 11, 2001
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