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

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8V9B	Lipoprotein(a) Kringle IV domain 7 - Lp(a) KIV7 in complex with LY3441732 分子名称: (2S,2'S)-3,3'-[carbonylbis(azanediyl-3,1-phenylene)]bis{2-[(3R)-pyrrolidin-1-ium-3-yl]propanoate}, Apolipoprotein(a), MAGNESIUM ION, ... 著者 Hendle, J, Weichert, K, Sauder, J.M. 登録日 2023-12-07 公開日 2024-05-08 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Discovery of potent small-molecule inhibitors of lipoprotein(a) formation. Nature, 629, 2024
4YE0	Stress-induced protein 1 truncation mutant (43 - 140) from Caenorhabditis elegans 分子名称: SULFATE ION, Stress-induced protein 1 著者 Fleckenstein, T, Kastenmueller, A, Stein, M.L, Peters, C, Daake, M, Krause, M, Weinfurtner, D, Haslbeck, M, Weinkauf, S, Groll, M, Buchner, J. 登録日 2015-02-23 公開日 2015-06-10 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 The Chaperone Activity of the Developmental Small Heat Shock Protein Sip1 Is Regulated by pH-Dependent Conformational Changes. Mol.Cell, 58, 2015
8VKF	The crystal structure of wild-type CYP199A4 bound to 4-propionylbenzoic acid 分子名称: 4-propanoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2024-01-09 公開日 2024-05-08 最終更新日 2024-07-31 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Selective alpha-Hydroxyketone Formation and Subsequent C-C Bond Cleavage by Cytochrome P450 Monooxygenase Enzymes Acs Catalysis, 14, 2024
4YGH	Crystal Structure of R111K:Y134F:T54V:R132Q:P39Y:R59Y mutant of human Cellular Retinoic Acid Binding Protein II with Retinal at 2.1 Angstrom resolution - UV irradiated crystal - 2nd cycle 分子名称: Cellular retinoic acid-binding protein 2, RETINAL 著者 Nosrati, M, Geiger, J.H. 登録日 2015-02-26 公開日 2016-03-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution. J.Am.Chem.Soc., 138, 2016
3MDP	Crystal structure of a Putative Cyclic nucleotide-binding protein (Gmet_1532) from Geobacter metallireducens GS-15 at 1.90 A resolution 分子名称: 1,2-ETHANEDIOL, Cyclic nucleotide-binding domain (CNMP-BD) protein, SUCCINIC ACID 著者 Joint Center for Structural Genomics (JCSG) 登録日 2010-03-30 公開日 2010-05-19 最終更新日 2023-02-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of a Putative Cyclic nucleotide-binding protein (Gmet_1532) from Geobacter metallireducens GS-15 at 1.90 A resolution To be published
4Y3D	Endothiapepsin in complex with fragment 321 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Fu, K, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.482 Å) 主引用文献 Crystallographic Fragment Screening of an Entrire Library To Be Published
3MGX	Crystal Structure of P450 OxyD that is involved in the Biosynthesis of Vancomycin-type Antibiotics 分子名称: GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, Putative P450 monooxygenase 著者 Cryle, M.J, Schlichting, I. 登録日 2010-04-07 公開日 2010-06-02 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural characterization of oxyd, a cytochrome p450 involved in {beta}-hydroxytyrosine formation in vancomycin biosynthesis J.Biol.Chem., 285, 2010
4Y46	Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) inhibitors 分子名称: 1-{trans-4-[(8-cyclopentyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]cyclohexyl}-3-propan-2-ylurea, Mitogen-activated protein kinase 10 著者 Park, H. 登録日 2015-02-10 公開日 2015-05-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. Acs Med.Chem.Lett., 6, 2015
6RCG	Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor 分子名称: 1,2-ETHANEDIOL, Casein kinase I isoform delta, ~{N}-[[6,7-bis(fluoranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(3-fluorophenyl)-2-morpholin-4-yl-purin-6-amine 著者 Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Roush, W.R, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2019-04-11 公開日 2020-03-25 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor To Be Published
4Y4U	Endothiapepsin in complex with fragment 14 分子名称: 1-(4-bromo-2-chlorophenyl)-3-methylthiourea, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.754 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4Z	Endothiapepsin in complex with fragment 73 分子名称: (1Z)-N,N-diethylethanimidamide, 1,2-ETHANEDIOL, ACETATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
3MH0	Mutagenesis of p38 MAP Kinase eshtablishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-out state 分子名称: Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-04-07 公開日 2010-04-21 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Mutagenesis of p38alpha MAP kinase establishes key roles of Phe169 in function and structural dynamics and reveals a novel DFG-OUT state. Biochemistry, 46, 2007
4Y58	Endothiapepsin in complex with fragment 260 分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
4Y5K	Endothiapepsin in complex with fragment 274 分子名称: (1S)-2-amino-1-(4-fluorophenyl)ethanol, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-11 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.439 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
4Y85	Crystal structure of COT kinase domain in complex with 5-(5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3,4-oxadiazol-2-amine 分子名称: 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine, Mitogen-activated protein kinase kinase kinase 8 著者 Gutmann, S, Hinniger, A. 登録日 2015-02-16 公開日 2015-05-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold. J.Biol.Chem., 290, 2015
6R4D	Aurora-A in complex with shape-diverse fragment 58 分子名称: (1~{S},10~{S})-12-cyclobutyl-5-methyl-1-oxidanyl-10-propan-2-yl-9,12-diazatricyclo[8.2.1.0^{2,7}]trideca-2(7),3,5-trien-11-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 Bayliss, R, McIntyre, P.J. 登録日 2019-03-22 公開日 2019-05-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.009 Å) 主引用文献 Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
4YBF	Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution 分子名称: Candidapepsin-2, DI(HYDROXYETHYL)ETHER 著者 Dostal, J, Hruskova-Heidingsfeldova, O, Rezacova, P, Brynda, J, Mareckova, L, Pichova, I. 登録日 2015-02-18 公開日 2016-01-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Atomic resolution crystal structure of Sapp2p, a secreted aspartic protease from Candida parapsilosis. Acta Crystallogr.,Sect.D, 71, 2015
6R6E	Crystal structure of di-phosphorylated human CLK1 in complex with 5-(6,7-dichloro-1-methyl-1H-indol-3-yl)pyrimidin-4-amine 分子名称: 5-[6,7-bis(chloranyl)-1-methyl-indol-3-yl]pyrimidin-4-amine, Dual specificity protein kinase CLK1 著者 Livnah, O, Domovich, Y. 登録日 2019-03-27 公開日 2020-05-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of di-phosphorylated human CLK1 in complex with 5-(6,7-dichloro-1-methyl-1H-indol-3-yl)pyrimidin-4-amine To Be Published
4YD5	Endothiapepsin in complex with fragment 236 分子名称: 1-(2-chloro-5-nitrophenyl)-N-methylmethanamine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-20 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.209 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4YE1	A cytochrome c plus calixarene structure - alternative ligand binding mode 分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ... 著者 Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B. 登録日 2015-02-23 公開日 2015-05-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 A cytochrome c-calixarene structure To Be Published
4YEM	Carboplatin binding to HEWL in NaBr crystallisation conditions studied at an X-ray wavelength of 0.9163A - new refinement 分子名称: ACETATE ION, BROMIDE ION, CHLORIDE ION, ... 著者 Shabalin, I.G, Dauter, Z, Jaskolski, M, Minor, W, Wlodawer, A. 登録日 2015-02-24 公開日 2015-03-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Crystallography and chemistry should always go together: a cautionary tale of protein complexes with cisplatin and carboplatin. Acta Crystallogr.,Sect.D, 71, 2015
4YEQ	L4b Domain of Human Laminin alpha-2 分子名称: Laminin subunit alpha-2 著者 Toot, M, Gat, Y, Fass, D. 登録日 2015-02-24 公開日 2015-05-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Laminin L4 domain structure resembles adhesion modules in ephrin receptor and other transmembrane glycoproteins. Febs J., 282, 2015
3M38	The roles of Glutamates and Metal ions in a rationally designed nitric oxide reductase based on myoglobin: I107E FeBMb (No metal ion binding to FeB site) 分子名称: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. 登録日 2010-03-08 公開日 2010-05-12 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
8UYI	Structure of ADP-bound and phosphorylated Pediculus humanus (Ph) PINK1 dimer 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase Pink1, ... 著者 Gan, Z.Y, Kirk, N.S, Leis, A, Komander, D. 登録日 2023-11-13 公開日 2024-01-31 実験手法 ELECTRON MICROSCOPY (3.13 Å) 主引用文献 Interaction of PINK1 with nucleotides and kinetin. Sci Adv, 10, 2024
4ZFP	A new crystal structure for the adduct formed in the reaction between AuSac2, a cytotoxic homoleptic gold(I) compound with the saccharinate ligand, and the model protein hen egg white lysozyme 分子名称: 1,2-ETHANEDIOL, GOLD ION, Lysozyme C, ... 著者 Merlino, A. 登録日 2015-04-21 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structural evidences for a secondary gold binding site in the hydrophobic box of lysozyme. Biometals, 28, 2015

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