1FR6
| REFINED CRYSTAL STRUCTURE OF BETA-LACTAMASE FROM CITROBACTER FREUNDII INDICATES A MECHANISM FOR BETA-LACTAM HYDROLYSIS | 分子名称: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BETA-LACTAMASE | 著者 | Oefner, C, D'Arcy, A, Daly, J.J, Winkler, F.K. | 登録日 | 2000-09-07 | 公開日 | 2001-01-17 | 最終更新日 | 2017-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Refined crystal structure of beta-lactamase from Citrobacter freundii indicates a mechanism for beta-lactam hydrolysis. Nature, 343, 1990
|
|
1DRF
| |
1TNR
| |
6TS5
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
6TS6
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
6TS4
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-19 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
6TS7
| Coagulation factor XI protease domain in complex with active site inhibitor | 分子名称: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI | 著者 | Renatus, M, Schiering, N. | 登録日 | 2019-12-20 | 公開日 | 2020-07-08 | 最終更新日 | 2020-08-26 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
6THP
| |
6T7P
| human plasmakallikrein protease domain in complex with active site directed inhibitor | 分子名称: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | 著者 | Renatus, M. | 登録日 | 2019-10-22 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.416 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
6USY
| COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | 分子名称: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | 著者 | Weihofen, W.A, Clark, K, Nunes, S. | 登録日 | 2019-10-28 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
|
|
1AD4
| |
4RVE
| THE CRYSTAL STRUCTURE OF ECORV ENDONUCLEASE AND OF ITS COMPLEXES WITH COGNATE AND NON-COGNATE DNA SEGMENTS | 分子名称: | DNA (5'-D(*GP*GP*GP*AP*TP*AP*TP*CP*CP*C)-3'), PROTEIN (ECO RV (E.C.3.1.21.4)) | 著者 | Winkler, F.K, Banner, D.W, Oefner, C, Tsernoglou, D, Brown, R.S, Heathman, S.P, Bryan, R.K, Martin, P.D, Petratos, K, Wilso, K.S. | 登録日 | 1993-02-18 | 公開日 | 1993-04-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The crystal structure of EcoRV endonuclease and of its complexes with cognate and non-cognate DNA fragments. EMBO J., 12, 1993
|
|
1OYT
| COMPLEX OF RECOMBINANT HUMAN THROMBIN WITH A DESIGNED FLUORINATED INHIBITOR | 分子名称: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE, CALCIUM ION, Hirudin IIB, ... | 著者 | Banner, D.W, Olsen, J.A. | 登録日 | 2003-04-07 | 公開日 | 2003-06-24 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | A Fluorine Scan of Thrombin Inhibitors to Map the Fluorophilicity/Fluorophobicity of an Enzyme Active Site: Evidence for CF...C=O Interactions. Angew.Chem.Int.Ed.Engl., 42, 2003
|
|
3V4L
| |
3V55
| |
3V4O
| |
4Q1N
| Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin inhibitors | 分子名称: | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Schiering, N, D'Arcy, A, Irie, O, Yokokawa, F. | 登録日 | 2014-04-04 | 公開日 | 2014-08-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett, 5, 2014
|
|
5JMY
| NEPRILYSIN COMPLEXED WITH LBQ657 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neprilysin, ... | 著者 | Schiering, N, Wiesmann, C. | 登録日 | 2016-04-29 | 公開日 | 2016-06-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of neprilysin in complex with the active metabolite of sacubitril. Sci Rep, 6, 2016
|
|
2WDP
| Crystal Structure of Ligand Free Human Caspase-6 | 分子名称: | CASPASE-6, PHOSPHATE ION | 著者 | Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M. | 登録日 | 2009-03-25 | 公開日 | 2009-10-27 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration. Biochem.J., 423, 2009
|
|
1RVE
| |
1IHP
| STRUCTURE OF PHOSPHOMONOESTERASE | 分子名称: | PHYTASE, SULFATE ION | 著者 | Kostrewa, D. | 登録日 | 1997-02-04 | 公開日 | 1998-03-18 | 最終更新日 | 2018-04-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structure of phytase from Aspergillus ficuum at 2.5 A resolution. Nat.Struct.Biol., 4, 1997
|
|
1PDG
| CRYSTAL STRUCTURE OF HUMAN PLATELET-DERIVED GROWTH FACTOR BB | 分子名称: | PLATELET-DERIVED GROWTH FACTOR BB | 著者 | Oefner, C, Darcy, A.D, Winkler, F.K, Eggimann, B, Hosnag, M. | 登録日 | 1992-07-14 | 公開日 | 1994-01-31 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of human platelet-derived growth factor BB. EMBO J., 11, 1992
|
|
4AX9
| Human thrombin complexed with Napsagatran, RO0466240 | 分子名称: | 2-[[(2S)-4-[[(3S)-1-carbamimidoylpiperidin-3-yl]methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl] -cyclopropyl-amino]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN VARIANT-1, ... | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K, Spinelli, S, Cambillau, C. | 登録日 | 2012-06-11 | 公開日 | 2012-06-20 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
|
|
4AZ2
| Human thrombin - inhibitor complex | 分子名称: | (R)-N-((S)-1-CARBAMIMIDOYL-PIPERIDIN-3-YLMETHYL)-2-(NAPHTHALENE-2-SULFONYLAMINO)-3-PHENYL-PROPIONAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | 登録日 | 2012-06-22 | 公開日 | 2012-08-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
|
|
4AYY
| Human thrombin - inhibitor complex | 分子名称: | (R)-1-[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-4-methyl-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUDIN-3A', ... | 著者 | Banner, D.W, D'Arcy, A, Winkler, F.K, Hilpert, K. | 登録日 | 2012-06-22 | 公開日 | 2012-08-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Design and Synthesis of Potent and Highly Selective Thrombin Inhibitors. J.Med.Chem., 37, 1994
|
|