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

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5DS1	Core domain of the class II small heat-shock protein HSP 17.7 from Pisum sativum 分子名称: 17.1 kDa class II heat shock protein 著者 Hochberg, G.K.A, Laganoswky, A, Allison, T.A, Shepherd, D.A, Benesch, J.L.P. 登録日 2015-09-16 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.63 Å) 主引用文献 Structural principles that enable oligomeric small heat-shock protein paralogs to evolve distinct functions. Science, 359, 2018
3DBG	Crystal structure of Cytochrome P450 170A1 (CYP170A1) from Streptomyces coelicolor 分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 著者 Zhao, B, Vassylyev, D.G, Waterman, M.R. 登録日 2008-05-31 公開日 2009-06-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of albaflavenone monooxygenase containing a moonlighting terpene synthase active site J.Biol.Chem., 284, 2009
5E5E	X-ray structure of the adduct formed in the reaction between RNase A and a neutral organometallic derivative [Pt(pbi)(Me)(DMSO)], pbi=2-(2'-pyridil)benzimidazole (compound 3) 分子名称: DIMETHYL SULFOXIDE, PLATINUM (II) ION, Ribonuclease pancreatic 著者 Merlino, A. 登録日 2015-10-08 公開日 2015-12-09 最終更新日 2016-01-13 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Cytotoxic properties of a new organometallic platinum(ii) complex and its gold(i) heterobimetallic derivatives. Dalton Trans, 45, 2015
6UNK	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate 著者 Sevrioukova, I.F. 登録日 2019-10-12 公開日 2020-02-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.75 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
5DT4	Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122 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.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 2015-09-17 公開日 2016-07-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.86 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
6H1S	Structure of the BM3 heme domain in complex with fluconazole 分子名称: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, 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 (1.95 Å) 主引用文献 Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
6GOM	KRAS-169 Q61H GPPNHP + PPIN-1 分子名称: (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... 著者 Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. 登録日 2018-06-01 公開日 2019-02-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3DCV	Crystal structure of human Pim1 kinase complexed with 4-(4-hydroxy-3-methyl-phenyl)-6-phenylpyrimidin-2(1H)-one 分子名称: 4-(4-hydroxy-3-methylphenyl)-6-phenylpyrimidin-2(5H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1 著者 Bellamacina, C.R, Shafer, C.M, Lindvall, M, Gesner, T.G, Yabannavar, A, Weiping, J, Song, L, Walter, A. 登録日 2008-06-04 公開日 2008-08-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors. Bioorg.Med.Chem.Lett., 18, 2008
5DU3	Active form of human C1-inhibitor 分子名称: Plasma protease C1 inhibitor 著者 Pannu, N.S, Dijk, M, Holkers, J, Voskamp, P, Giannetti, B.M, Waterreus, W.J, van Veen, H.A. 登録日 2015-09-18 公開日 2016-08-31 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 How Dextran Sulfate Affects C1-inhibitor Activity: A Model for Polysaccharide Potentiation. Structure, 24, 2016
6GQE	X-ray structure of KH1-2 domain of IMP3 分子名称: Insulin-like growth factor 2 mRNA-binding protein 3 著者 Janowski, R, Schlundt, A, Sattler, M, Niessing, D. 登録日 2018-06-07 公開日 2019-04-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3. Nat Commun, 10, 2019
6H46	Human KRAS in complex with darpin K13 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... 著者 Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. 登録日 2018-07-20 公開日 2019-04-24 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
3DE6	Proteinase K by Classical hanging drop method after the third 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 2008-06-08 公開日 2009-06-09 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Radiation stability of proteinase K crystals grown by LB nanotemplate method J.Struct.Biol., 168, 2009
6TZE	Human CstF-64 RRM mutant - D50A 分子名称: Cleavage stimulation factor subunit 2 著者 Latham, M.P, Masoumzadeh, E. 登録日 2019-08-12 公開日 2020-08-19 最終更新日 2024-05-01 実験手法 SOLUTION NMR 主引用文献 A missense mutation in the CSTF2 gene that impairs the function of the RNA recognition motif and causes defects in 3' end processing is associated with intellectual disability in humans. Nucleic Acids Res., 48, 2020
8AEH	X-ray structure of Canis familiaris Odorant Binding Protein 1 分子名称: CALCIUM ION, Major allergen Can f 1 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 (3 Å) 主引用文献 Structure of dog odorant binding protein To Be Published
6UNH	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)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]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 (2.72 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
3DFC	Crystal structure of a glycine-rich loop mutant of the death associated protein kinase catalytic domain with AMPPNP 分子名称: Death-associated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 McNamara, L.K, Schavocky, J.P, Watterson, D.M, Brunzelle, J.S. 登録日 2008-06-11 公開日 2009-05-26 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 High resolution crystal structures of the death associated protein kinase catalytic domain with a key point mutation in the glycine-rich loop To be Published
8AE8	Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment 分子名称: 1~{H}-indol-5-ylmethanamine, Cytochrome P450 protein, PROTOPORPHYRIN IX CONTAINING FE 著者 Snee, M, Katariya, M. 登録日 2022-07-12 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment To Be Published
3DA6	Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine 分子名称: Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine 著者 Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S. 登録日 2008-05-28 公開日 2009-01-06 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase Bioorg.Med.Chem.Lett., 19, 2009
5EAG	Saccharomyces cerevisiae CYP51 complexed with the plant pathogen inhibitor Prochloraz 分子名称: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Prochloraz 著者 Tyndall, J.D.A, Sabherwal, M, Sagatova, A.A, Keniya, M.V, Wilson, R.K, Woods, M.V, Monk, B.C. 登録日 2015-10-16 公開日 2016-02-10 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structural and Functional Elucidation of Yeast Lanosterol 14 alpha-Demethylase in Complex with Agrochemical Antifungals. PLoS ONE, 11, 2016
3DAJ	Crystal structure of Aurora A complexed with an inhibitor discovered through site-directed dynamic tethering 分子名称: N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide, serine/threonine kinase 6 著者 He, M.M. 登録日 2008-05-29 公開日 2008-07-08 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry. Bioorg.Med.Chem.Lett., 18, 2008
6U31	The crystal structure of 4-(1H-imidazol-1-yl)benzoate-bound CYP199A4 分子名称: 4-(1H-imidazol-1-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bruning, J.B, Bell, S.G. 登録日 2019-08-21 公開日 2020-08-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.578 Å) 主引用文献 To Be, or Not to Be, an Inhibitor: A Comparison of Azole Interactions with and Oxidation by a Cytochrome P450 Enzyme. Inorg.Chem., 61, 2022
3DGI	Crystal structure of F87A/T268A mutant of CYP BM3 分子名称: Bifunctional P-450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE 著者 Le Trong, I, Katayama, J.H, Totah, R.A, Stenkamp, R.E, Fox, E.P. 登録日 2008-06-13 公開日 2009-06-16 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Homolytic versus heterolytic dioxygen bond cleavage in cytochrome P450 BM3. To be Published
3DH6	Crystal structure of bovine pancreatic ribonuclease A variant (V47A) 分子名称: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION 著者 Kurpiewska, K, Font, J, Ribo, M, Vilanova, M, Lewinski, K. 登録日 2008-06-17 公開日 2008-07-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 X-ray crystallographic studies of RNase A variants engineered at the most destabilizing positions of the main hydrophobic core: further insight into protein stability Proteins, 77, 2009
6HME	LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA; CSNK2A1 gene product) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR THN27 分子名称: 1,2-ETHANEDIOL, 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, CHLORIDE ION, ... 著者 Niefind, K, Lindenblatt, D, Jose, J, Le Borgne, M. 登録日 2018-09-12 公開日 2019-03-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Diacritic Binding of an Indenoindole Inhibitor by CK2 alpha Paralogs Explored by a Reliable Path to Atomic Resolution CK2 alpha ' Structures. Acs Omega, 4, 2019
6U1Y	bcs1 AAA domain 分子名称: MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER 著者 Tang, W.K, Xia, D. 登録日 2019-08-17 公開日 2020-02-05 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein. Nat.Struct.Mol.Biol., 27, 2020

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