PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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6EQM	Crystal Structure of Human BACE-1 in Complex with CNP520 分子名称: Beta-secretase 1, ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide 著者 Rondeau, J.-M, Wirth, E. 登録日 2017-10-13 公開日 2018-09-19 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 The BACE-1 inhibitor CNP520 for prevention trials in Alzheimer's disease. EMBO Mol Med, 10, 2018
4NKX	Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate progesterone 分子名称: PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase 著者 Scott, E.E, Petrunak, E.M. 登録日 2013-11-13 公開日 2014-10-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.794 Å) 主引用文献 Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates. J.Biol.Chem., 289, 2014
7RKT	Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate 分子名称: (1S)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-07-22 公開日 2022-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
4YA8	structure of plasmepsin II from Plasmodium Falciparum complexed with inhibitor PG394 分子名称: GLYCEROL, N'-[(2S,3S)-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)propan-2-yl]amino}butan-2-yl]-N,N-dipropyl-5-(pyridin-1(2H)-yl)benzene-1,3-dicarboxamide, Plasmepsin-2 著者 Recacha, R, Leitans, J, Tars, K, Jaudzems, K. 登録日 2015-02-17 公開日 2015-12-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.301 Å) 主引用文献 Structures of plasmepsin II from Plasmodium falciparum in complex with two hydroxyethylamine-based inhibitors. Acta Crystallogr.,Sect.F, 71, 2015
4Y3L	Endothiapepsin in complex with fragment 205 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Ehrmann, F.R, Huschmann, F.U, 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 (1.16 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library To Be Published
5UHM	Apo-Structure of Mature Growth Differentiation Factor 11 分子名称: Growth/differentiation factor 11 著者 Goebel, E, Thompson, T. 登録日 2017-01-11 公開日 2017-03-22 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis for potency differences between GDF8 and GDF11. BMC Biol., 15, 2017
4Y8X	Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa, SULFATE ION, ... 著者 Sheriff, S. 登録日 2015-02-16 公開日 2015-05-27 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of a Potent Parenterally Administered Factor XIa Inhibitor with Hydroxyquinolin-2(1H)-one as the P2' Moiety. ACS Med Chem Lett, 6, 2015
6EBB	Crystal Structure of YycF homologue, crystals grown in Tris buffer 分子名称: DNA-binding response regulator 著者 Riboldi-Tunnicliffe, A, Panjikar, S, Williamson, R.M, Gabrielsen, M. 登録日 2018-08-06 公開日 2019-08-14 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.022 Å) 主引用文献 Crystal Structure of YycF homologue, crystals grown in Tris buffer To Be Published
4Y92	Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain E97T-Q128R mutant 分子名称: GLYCEROL, Protein-tyrosine kinase, SULFATE ION, ... 著者 Camara-Artigas, A, Bacarizo, J. 登録日 2015-02-16 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of the intertwined form of the Src tyrosine kinase SH3 domain E97T-Q128R mutant to be published
4Y3Y	Endothiapepsin in complex with fragment B42 分子名称: 2-AMINO-4-METHYL-PENTAN-1-OL, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 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 (1.346 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
4NZ2	Crystal structure of CYP2C9 in complex with an inhibitor 分子名称: (2R)-N-{4-[(3-bromophenyl)sulfonyl]-2-chlorophenyl}-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide, Cytochrome P450 2C9, GLYCEROL, ... 著者 Branden, G, Sjogren, T, Xue, Y. 登録日 2013-12-11 公開日 2014-08-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Structure-based ligand design to overcome CYP inhibition in drug discovery projects. Drug Discov Today, 19, 2014
4Y4B	Endothiapepsin in complex with fragment 323 分子名称: 6,6,8-trimethyl-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline, ACETATE ION, 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 (1.108 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
7RKR	Naegleria fowleri CYP51 (NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate 分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-07-22 公開日 2022-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.76 Å) 主引用文献 Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
4Y3J	Endothiapepsin in complex with fragment B30 分子名称: 4-METHYL-HISTIDINE, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2016-05-11 実験手法 X-RAY DIFFRACTION (1.31 Å) 主引用文献 Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
7RKW	Naegleria fowleri CYP51(NfCYP51) complex with (S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate 分子名称: (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3,5-dichlorobenzoate, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sharma, V, Podust, L.M. 登録日 2021-07-22 公開日 2022-07-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.81 Å) 主引用文献 Miconazole-like Scaffold is a Promising Lead for Naegleria fowleri -Specific CYP51 Inhibitors. J.Med.Chem., 2023
4Y3E	Endothiapepsin in complex with fragment 5 分子名称: 1H-isoindol-3-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Uehlein, M, Weiss, M.S, 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 (1.25 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y40	Structure of Vaspin mutant D305C V383C 分子名称: 1,2-ETHANEDIOL, SULFATE ION, Serpin A12 著者 Pippel, J, Strater, N, Ulbricht, D, Schultz, S, Meier, R, Heiker, J.T. 登録日 2015-02-10 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 A unique serpin P1' glutamate and a conserved beta-sheet C arginine are key residues for activity, protease recognition and stability of serpinA12 (vaspin). Biochem.J., 470, 2015
4Y3Q	Endothiapepsin in complex with fragment 109 分子名称: 4-(diethylamino)benzohydrazide, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Schiebel, J, 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 (1.17 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
6RPV	Extremely stable monomeric variant of human cystatin C with single amino acid substitution 分子名称: Cystatin-C 著者 Zhukov, I, Rodziewicz-Motowidlo, S, Maszota-Zieleniak, M, Jurczak, P, Kozak, M. 登録日 2019-05-14 公開日 2019-07-31 最終更新日 2023-06-14 実験手法 SOLUTION NMR, SOLUTION SCATTERING 主引用文献 NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
4YH0	Crystal structure of the R111K:Y134F:T54V:R132Q:P39Y:R59Y mutant of human Cellular Retinoic Acid Binding Protein II in complex with Retinal at 2.14 angstrom resolution - UV irradiated crystal - 3rd 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 (2.144 Å) 主引用文献 A Photoisomerizing Rhodopsin Mimic Observed at Atomic Resolution. J.Am.Chem.Soc., 138, 2016
4Y51	Endothiapepsin in complex with fragment 52 分子名称: 1,2-ETHANEDIOL, 2-amino-1-(4-bromophenyl)ethanone, Endothiapepsin, ... 著者 Radeva, N, 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 (1.603 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5B	Endothiapepsin in complex with fragment 261 分子名称: 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, 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 (1.24 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
8TRI	Crystal Structure of Mouse Cadherin-23 EC25-MAD28 F2894A 分子名称: CALCIUM ION, Cadherin-23 著者 Ashraf, Q, Sotomayor, M. 登録日 2023-08-09 公開日 2024-08-28 実験手法 X-RAY DIFFRACTION (3.716 Å) 主引用文献 Crystal Structure of Mouse Cadherin-23 EC25-MAD28 F2894A To be published
4YI9	Crystal structure of non-myristoylated E153A recoverin at 1.35 A resolution with a sodium ion bound to EF-hand 2 and calcium ion bound to EF-hand 3 分子名称: CALCIUM ION, Recoverin, SODIUM ION 著者 Prem Kumar, R, Ranaghan, M.J, Oprian, D.D. 登録日 2015-02-28 公開日 2015-12-02 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal Structure of Recoverin with Calcium Ions Bound to Both Functional EF Hands. Biochemistry, 54, 2015
4Y5P	Endothiapepsin in complex with fragment 338 分子名称: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Fu, K, 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 (1.229 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published

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