PDB: 97814 件ウェブページステータス検索Chemie searchBIRD

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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
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
6EX8	Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor 分子名称: (3~{S})-~{N}-[1-(aminomethyl)cyclopropyl]-19-chloranyl-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease 著者 Dietzel, U, Kisker, C. 登録日 2017-11-07 公開日 2018-04-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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
1LJ8	Crystal structure of mannitol dehydrogenase in complex with NAD 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, mannitol dehydrogenase 著者 Kavanagh, K.L, Klimacek, M, Nidetzky, B, Wilson, D.K. 登録日 2002-04-19 公開日 2002-11-15 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal structure of Pseudomonas fluorescens mannitol 2-dehydrogenase binary and ternary complexes. Specificity and catalytic mechanism J.Biol.Chem., 277, 2002
6EZX	CATHEPSIN L IN COMPLEX WITH (3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide 分子名称: (3~{S},14~{E})-19-chloranyl-~{N}-[1-(iminomethyl)cyclopropyl]-5-oxidanylidene-17-oxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide, Cathepsin L1 著者 Banner, D.W, Benz, J, Kuglstatter, A. 登録日 2017-11-16 公開日 2018-04-11 最終更新日 2018-05-09 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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
6EXQ	Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor 分子名称: (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease 著者 Dietzel, U, Kisker, C. 登録日 2017-11-08 公開日 2018-04-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
6F06	CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide 分子名称: (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, CHLORIDE ION, Cathepsin L1, ... 著者 Kuglstatter, A, Stihle, M. 登録日 2017-11-17 公開日 2018-04-11 最終更新日 2018-05-09 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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
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
4YD7	Endothiapepsin in complex with fragment 255 分子名称: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ... 著者 Stieler, M, Heine, A, Klebe, G. 登録日 2015-02-21 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.419 Å) 主引用文献 Crystallographic Fragment Screening of an Entire Library To Be Published
2BGK	X-Ray structure of apo-Secoisolariciresinol Dehydrogenase 分子名称: RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE 著者 Youn, B, Moinuddin, S.G, Davin, L.B, Lewis, N.G, Kang, C. 登録日 2004-12-23 公開日 2005-01-13 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal Structures of Apo-Form and Binary/Ternary Complexes of Podophyllum Secoisolariciresinol Dehydrogenase, an Enzyme Involved in Formation of Health-Protecting and Plant Defense Lignans J.Biol.Chem., 280, 2005
8VEJ	De novo designed cholic acid binder: CHD_buttress 分子名称: CHD_buttress, CHOLIC ACID 著者 Bera, A.K, Tran, L, Kang, A, Baker, D. 登録日 2023-12-19 公開日 2024-07-17 最終更新日 2024-07-31 実験手法 X-RAY DIFFRACTION (3.59 Å) 主引用文献 Binding and sensing diverse small molecules using shape-complementary pseudocycles. Science, 385, 2024

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