PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

---

4Y3R	Endothiapepsin in complex with fragment 306 分子名称: 2-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5JDM	Structural mechanisms of extracellular ion exchange and induced binding-site occlusion in the sodium-calcium exchanger NCX_Mj soaked with 2.5 mM Na+ and 0.1mM Sr2+ 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15-PENTAOXAHEPTADECANE, PENTADECANE, ... 著者 Liao, J, Jiang, Y.X, Faraldo-Gomez, J.D. 登録日 2016-04-17 公開日 2016-05-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.558 Å) 主引用文献 Mechanism of extracellular ion exchange and binding-site occlusion in a sodium/calcium exchanger. Nat.Struct.Mol.Biol., 23, 2016
6T81	Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. 分子名称: AZIDE ION, BICINE, SODIUM ION, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2019-10-23 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
1XH4	Crystal Structures of Protein Kinase B Selective Inhibitors in Complex with Protein Kinase A and Mutants 分子名称: N-[4-({4-[5-(DIMETHYLAMINO)-2-HYDROXYBENZOYL]BENZOYL}AMINO)AZEPAN-3-YL]ISONICOTINAMIDE, cAMP-dependent protein kinase inhibitor, alpha form, ... 著者 Breitenlechner, C.B, Friebe, W.-G, Brunet, E, Werner, G, Graul, K, Thomas, U, Kuenkele, K.-P, Schaefer, W, Gassel, M, Bossemeyer, D, Huber, R, Engh, R.A, Masjost, B. 登録日 2004-09-17 公開日 2005-09-17 最終更新日 2024-06-26 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants J.Med.Chem., 48, 2005
4Y3N	Endothiapepsin in complex with fragment 273 分子名称: 2-[(1S)-2-acetyl-1,2-dihydroisoquinolin-1-yl]-N,N-dimethylacetamide, ACETATE ION, Endothiapepsin, ... 著者 Krimmer, S.G, 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 (1.34 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y3Z	Endothiapepsin in complex with fragment 41 分子名称: 1,2-ETHANEDIOL, ACETATE ION, Endothiapepsin, ... 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 (1.12 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4W	Endothiapepsin in complex with fragment 125 分子名称: 1,2-ETHANEDIOL, 4-methylpiperidine-1-carboximidamide, 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 (1.451 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y56	Endothiapepsin in complex with fragment 58 分子名称: 1,2-ETHANEDIOL, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, DIMETHYL SULFOXIDE, ... 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 (1.63 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5ISJ	Endothiapepsin in complex with chiral chlorinated primary amine fragment 分子名称: (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... 著者 Radeva, N, Heine, A, Klebe, G. 登録日 2016-03-15 公開日 2017-03-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.651 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library to be published
6TDU	Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, full dimer, rotational states 1 分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... 著者 Muhleip, A, Amunts, A. 登録日 2019-11-10 公開日 2019-11-27 実験手法 ELECTRON MICROSCOPY (4.32 Å) 主引用文献 Structure of a mitochondrial ATP synthase with bound native cardiolipin. Elife, 8, 2019
4Y3S	Endothiapepsin in complex with fragment 266 分子名称: 6-(dimethylamino)pyridine-3-carboxylic acid, ACETATE ION, Endothiapepsin, ... 著者 Krimmer, S.G, 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 (1.1 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y47	Endothiapepsin in complex with fragment 162 分子名称: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, ACETATE ION, Endothiapepsin, ... 著者 Krimmer, S.G, Krug, M, Uehlein, M, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y53	Endothiapepsin in complex with fragment 54 分子名称: 1,2-ETHANEDIOL, 3-(3,4-difluorophenyl)imidazo[2,1-c][1,2,4]triazine, 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 (1.62 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5C	Endothiapepsin in complex with fragment 267 分子名称: 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide, ACETATE ION, Endothiapepsin, ... 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 (1.19 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
4Y5M	Endothiapepsin in complex with fragment 328 分子名称: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, DIMETHYL SULFOXIDE, Endothiapepsin, ... 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 (1.28 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y45	Endothiapepsin in complex with fragment 291 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 著者 Wang, X, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y43	Endothiapepsin in complex with fragment 42 分子名称: (1E,2E)-N,N'-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine, 1,2-ETHANEDIOL, Endothiapepsin, ... 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 (1.48 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4E	Endothiapepsin in complex with fragment 131 分子名称: ACETATE ION, Endothiapepsin, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2015-02-10 公開日 2016-02-17 最終更新日 2016-12-28 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
5ESB	Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with Vaniprevir 分子名称: (5R,7S,10S)-10-tert-butyl-N-{(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19-dodecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosine-7(3H)-carboxamide, NS3 protease, SULFATE ION, ... 著者 Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Schiffer, C.A. 登録日 2015-11-16 公開日 2016-11-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease. J.Am.Chem.Soc., 138, 2016
4YCK	Endothiapepsin in complex with fragment 211 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 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 (1.07 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y4X	Endothiapepsin in complex with fragment 51 分子名称: 1,2-ETHANEDIOL, 5-[(pyridin-2-ylmethyl)amino]-1,3-dihydro-2H-benzimidazol-2-one, DIMETHYL SULFOXIDE, ... 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 (1.67 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y57	Endothiapepsin in complex with fragment 63 分子名称: 1,2-ETHANEDIOL, ACETATE ION, 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 (1.49 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
4Y5G	Endothiapepsin in complex with fragment 272 分子名称: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ... 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 (1.47 Å) 主引用文献 Crystallographic Fragment Sreening of an Entire Library to be published
5EQQ	Crystal structure of HCV NS3/4A WT protease in complex with 5172-Linear (MK-5172 linear analogue) 分子名称: NS3 protease, SULFATE ION, ZINC ION, ... 著者 Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. 登録日 2015-11-13 公開日 2016-01-13 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11, 2016
4YD4	Endothiapepsin in complex with fragment 227 分子名称: 1,2-ETHANEDIOL, 4-(bromomethyl)benzoic acid, BROMIDE ION, ... 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 (1.27 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published

<246247248249250251252253254255256257258259260261>