PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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6UNE	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate 著者 Sevrioukova, I.F. 登録日 2019-10-11 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 An increase in side-group hydrophobicity largely improves the potency of ritonavir-like inhibitors of CYP3A4. Bioorg.Med.Chem., 28, 2020
3DE2	Proteinase K by LB nanotemplate method after the fourth step of high X-Ray dose on ESRF ID23-1 beamline 分子名称: CALCIUM ION, Proteinase K 著者 Pechkova, E, Tripathi, S.K, Nicolini, C. 登録日 2008-06-07 公開日 2009-06-09 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Radiation stability of proteinase K crystals grown by LB nanotemplate method J.Struct.Biol., 168, 2009
3DE0	Proteinase K by LB nanotemplate method after the second step of high X-Ray dose on ESRF ID23-1 beamline 分子名称: CALCIUM ION, Proteinase K 著者 Pechkova, E, Tripathi, S.K, Nicolini, C. 登録日 2008-06-07 公開日 2009-06-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Radiation stability of proteinase K crystals grown by LB nanotemplate method J.Struct.Biol., 168, 2009
3DEO	Structural basis for specific substrate recognition by the chloroplast signal recognition particle protein cpSRP43 分子名称: MAGNESIUM ION, Signal recognition particle 43 kDa protein 著者 Stengel, K.F, Wild, K, Sinning, I. 登録日 2008-06-10 公開日 2008-08-12 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural basis for specific substrate recognition by the chloroplast signal recognition particle protein cpSRP43. Science, 321, 2008
3DFL	Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid 分子名称: 4-carbamimidamidobenzoic acid, Prostasin 著者 Su, H.P, Rickert, K.W, Darke, P.L, Munshi, S.K. 登録日 2008-06-12 公開日 2008-10-14 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure of human prostasin, a target for the regulation of hypertension. J.Biol.Chem., 283, 2008
6H0U	Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor 分子名称: (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ... 著者 Marcovich, I, Demitri, N, De Zorzi, R, Storici, P. 登録日 2018-07-10 公開日 2019-05-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition. Chemmedchem, 14, 2019
3DJO	Bovine Seminal Ribonuclease uridine 2' phosphate complex 分子名称: ACETATE ION, PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL] ESTER, Seminal ribonuclease 著者 Dossi, K, Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G. 登録日 2008-06-24 公開日 2009-06-30 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors Eur.J.Med.Chem., 44, 2009
6U30	The crystal structure of 4-pyridin-3-ylbenzoate-bound CYP199A4 分子名称: 4-(pyridin-3-yl)benzoic acid, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-08-21 公開日 2020-02-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.655 Å) 主引用文献 Biophysical Techniques for Distinguishing Ligand Binding Modes in Cytochrome P450 Monooxygenases. Biochemistry, 59, 2020
5DN3	Aurora A in complex with ATP and AA35. 分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... 著者 Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A. 登録日 2015-09-09 公開日 2016-07-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
3D83	Crystal structure of P38 kinase in complex with a biphenyl amide inhibitor 分子名称: GLYCEROL, Mitogen-activated protein kinase 14, N-{4'-[(cyclopropylmethyl)carbamoyl]-6-methylbiphenyl-3-yl}-2-morpholin-4-ylpyridine-4-carboxamide 著者 Somers, D.O. 登録日 2008-05-22 公開日 2008-07-22 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes. Bioorg.Med.Chem.Lett., 18, 2008
6H17	Myxococcus xanthus MglA bound to GTPgammaS 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Mutual gliding-motility protein MglA, ... 著者 Galicia, C, Cherfils, J. 登録日 2018-07-11 公開日 2019-11-27 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.275 Å) 主引用文献 MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus. Nat Commun, 10, 2019
3D8X	Crystal Structure of Saccharomyces cerevisiae NDPPH Dependent Thioredoxin Reductase 1 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase 1 著者 Zhang, Z.Y, Bao, R, Yu, J, Chen, Y.X, Zhou, C.-Z. 登録日 2008-05-26 公開日 2008-12-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal structure of Saccharomyces cerevisiae cytoplasmic thioredoxin reductase Trr1 reveals the structural basis for species-specific recognition of thioredoxin Biochim.Biophys.Acta, 1794, 2009
6H1L	Structure of the BM3 heme domain in complex with tioconazole 分子名称: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Jeffreys, L.N, Munro, A.W.M, Leys, D. 登録日 2018-07-12 公開日 2019-02-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.968 Å) 主引用文献 Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
5DPZ	Endothiapepsin in complex with fragment 31 分子名称: 2-methylaniline, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Radeva, N, Uehlein, M, Weiss, M, Heine, A, Klebe, G. 登録日 2015-09-14 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.328 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5DR2	Aurora A Kinase in Complex with AA30 and ATP in Space Group P6122 分子名称: 2-(3-bromophenyl)quinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... 著者 Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. 登録日 2015-09-15 公開日 2016-07-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.46 Å) 主引用文献 Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
5DR7	Endothiapepsin in complex with fragment 311 分子名称: (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one, ACETATE ION, Endothiapepsin, ... 著者 Heine, A, Schiebel, J, Klebe, G. 登録日 2015-09-15 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.234 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
3D9V	CRYSTAL STRUCTURE OF ROCK I BOUND TO H-1152P A DI-METHYLATED VARIANT OF FASUDIL 分子名称: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, Rho-associated protein kinase 1 著者 Jacobs, M. 登録日 2008-05-27 公開日 2008-06-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 The structure of dimeric ROCK I reveals the mechanism for ligand selectivity. J.Biol.Chem., 281, 2006
5DKM	S. erythraea trypsin Michaelis-Menten complex 分子名称: Trypsin 著者 Blankenship, E, Lodowski, D.T. 登録日 2015-09-03 公開日 2017-03-08 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 High resolution structures of S. erythraeus trypsin throughout the catalytic cycle To be Published
3D95	Crystal Structure of the R132K:Y134F:R111L:L121E:T54V Mutant of Apo-Cellular Retinoic Acid Binding Protein Type II at 1.20 Angstroms Resolution 分子名称: Cellular retinoic acid-binding protein 2 著者 Vaezeslami, S, Geiger, J.H. 登録日 2008-05-26 公開日 2008-07-22 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Structural analysis of site-directed mutants of cellular retinoic acid-binding protein II addresses the relationship between structural integrity and ligand binding. Acta Crystallogr.,Sect.D, 64, 2008
6UDL	Structure of Human Cytochrome P450 1A1 with Duocarmycin Prodrug (S) ICT-2700 分子名称: Cytochrome P450 1A1, PROTOPORPHYRIN IX CONTAINING FE, [(1S)-1-(chloromethyl)-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl](5-methoxy-1H-indol-2-yl)methanone 著者 Bart, A.G, Scott, E.E. 登録日 2019-09-19 公開日 2020-09-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Cytochrome P450 binding and bioactivation of tumor-targeted duocarmycin agents Drug Metab.Dispos., 2021
3DAE	Crystal structure of phosphorylated SNF1 kinase domain 分子名称: Carbon catabolite-derepressing protein kinase 著者 Zheng, L.-S, Chen, L, Jiao, Z.-H, Wu, J.-W. 登録日 2008-05-29 公開日 2009-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.899 Å) 主引用文献 Structural insight into the autoinhibition mechanism of AMP-activated protein kinase Nature, 459, 2009
6GVK	Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e) 分子名称: Dystonin, GLYCEROL, Integrin beta-4 著者 Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. 登録日 2018-06-21 公開日 2019-03-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes. Structure, 27, 2019
8AEI	X-ray structure of Canis familiaris Odorant Binding Protein 2 bound to citronellal 分子名称: (3R)-3,7-dimethyloct-6-en-1-ol, MAGNESIUM ION, Minor allergen Can f 2 著者 Schwartz, M, Briand, L. 登録日 2022-07-13 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 Structure of dog odorant binding protein To Be Published
3DBC	Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257 分子名称: 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1 著者 Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. 登録日 2008-05-31 公開日 2008-10-07 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
6H6C	Carbomonoxy murine neuroglobin F106A mutant 分子名称: 1,4-DIETHYLENE DIOXIDE, CARBON MONOXIDE, GLYCEROL, ... 著者 Exertier, C, Vallone, B, Savino, C, Freda, I, Montemiglio, L.C, Cerutti, G, Scaglione, A, Parisi, G. 登録日 2018-07-27 公開日 2019-04-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Proximal and distal control for ligand binding in neuroglobin: role of the CD loop and evidence for His64 gating. Sci Rep, 9, 2019

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