6FTY
 
 | | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 5 | | 分子名称: | 4-[[(5~{S},7~{R})-3-azanyl-1-adamantyl]carbonylamino]-1~{H}-indole-2-carboxamide, Complement factor D, GLYCEROL | | 著者 | Ostermann, N. | | 登録日 | 2018-02-26 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6GCH
 | | STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS | | 分子名称: | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A | | 著者 | Brady, K, Wei, A, Ringe, D, Abeles, R.H. | | 登録日 | 1990-04-06 | | 公開日 | 1990-10-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
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6GT6
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6FTZ
 | | COMPLEMENT FACTOR D COMPLEXED WITH COMPOUND 6 | | 分子名称: | Complement factor D, ~{N}4-[3-(aminomethyl)phenyl]-1~{H}-indole-2,4-dicarboxamide | | 著者 | Ostermann, N. | | 登録日 | 2018-02-26 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6FUH
 | | Complement factor D in complex with the inhibitor (4-((3-(aminomethyl)phenyl)amino)quinazolin-2-yl)-L-valine | | 分子名称: | (2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]-3-methyl-butanoic acid, Complement factor D | | 著者 | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | 登録日 | 2018-02-27 | | 公開日 | 2018-06-06 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6FUI
 | | Complement factor D in complex with the inhibitor 3-((3-((3-(aminomethyl)phenyl)amino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)phenol | | 分子名称: | (1~{R},2~{S})-2-[[4-[[3-(aminomethyl)phenyl]amino]quinazolin-2-yl]amino]cyclohexane-1-carboxylic acid, Complement factor D | | 著者 | Mac Sweeney, A, Ostermann, N, Vulpetti, A, Maibaum, J, Erbel, P, Lorthiois, E, Yoon, T, Randl, S, Ruedisser, S. | | 登録日 | 2018-02-27 | | 公開日 | 2018-06-06 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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6FUT
 | | Complement factor D in complex with the inhibitor (S)-3'-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-[1,1'-biphenyl]-3-carboxamide | | 分子名称: | 3-[3-(aminomethyl)phenyl]-~{N}-[(1~{S})-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide, Complement factor D, SUCCINIC ACID | | 著者 | Mac Sweeney, A, Vulpetti, A, Erbel, P, Lorthiois, E, Maibaum, J, Randl, S. | | 登録日 | 2018-02-27 | | 公開日 | 2018-06-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Discovery and Design of First Benzylamine-Based Ligands Binding to an Unlocked Conformation of the Complement Factor D.
ACS Med Chem Lett, 9, 2018
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2EST
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2FOF
 | | Structure of porcine pancreatic elastase in 80% isopropanol | | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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5TJX
 | | Structure of human plasma kallikrein | | 分子名称: | (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one, PHOSPHATE ION, Plasma kallikrein | | 著者 | Partridge, J.R, Choy, R.M, Li, Z. | | 登録日 | 2016-10-05 | | 公開日 | 2016-12-21 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.408 Å) | | 主引用文献 | Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
ACS Med Chem Lett, 8, 2017
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4NIX
 | | Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) orthorhombic form, zinc-bound | | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | 著者 | Schoepfel, M, Parthier, C, Stubbs, M.T. | | 登録日 | 2013-11-08 | | 公開日 | 2014-02-19 | | 最終更新日 | 2014-03-19 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | N-terminal protein modification by substrate-activated reverse proteolysis.
Angew.Chem.Int.Ed.Engl., 53, 2014
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2FX4
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2FOB
 | | Structure of porcine pancreatic elastase in 40/50/10 cyclohexane | | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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6AHS
 | | Mouse Kallikrein 7 in complex with imidazolinylindole derivative | | 分子名称: | 1-[(2-chlorophenyl)sulfonyl]-5-methyl-3-[(4R)-2-methyl-4,5-dihydro-1H-imidazol-4-yl]-1H-indole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Sugawara, H. | | 登録日 | 2018-08-20 | | 公開日 | 2019-01-02 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery and structure-activity relationship of imidazolinylindole derivatives as kallikrein 7 inhibitors.
Bioorg. Med. Chem. Lett., 29, 2019
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6AG2
 | | uPA-HMA | | 分子名称: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator | | 著者 | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | 登録日 | 2018-08-09 | | 公開日 | 2019-09-18 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | uPA-HMA
To Be Published
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2FO9
 | | Structure of porcine pancreatic elastase in 95% acetone | | 分子名称: | ACETONE, CALCIUM ION, SULFATE ION, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOH
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | 分子名称: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FOA
 | | Structure of porcine pancreatic elastase in 40/50/10 % benzene | | 分子名称: | CALCIUM ION, ISOPROPYL ALCOHOL, SULFATE ION, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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5TCA
 | | Complement Factor D inhibited with JH3 | | 分子名称: | 1-(2-{(2S)-2-[(6-bromopyridin-2-yl)carbamoyl]-1,3-thiazolidin-3-yl}-2-oxoethyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxamide, Complement factor D | | 著者 | Stuckey, J.A. | | 登録日 | 2016-09-14 | | 公開日 | 2016-10-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Buried Hydrogen Bond Interactions Contribute to the High Potency of Complement Factor D Inhibitors.
ACS Med Chem Lett, 7, 2016
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2FOG
 | | Structure of porcine pancreatic elastase in 40% trifluoroethanol | | 分子名称: | CALCIUM ION, SULFATE ION, TRIFLUOROETHANOL, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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5TKT
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2,7~]NONADECA-1(18),2,4,6,12,16(19)-HEXAEN-5-YL)CARBAMATE | | 分子名称: | 1,2-ETHANEDIOL, Factor XIa (Light Chain), METHYL ((12E,15S)-15-(((2E)-3-(5-CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL)-2-PROPENOYL)AMINO)-9-OXO-8,17,19-TRIAZATRICYCLO[14.2.1.0~2, ... | | 著者 | Sheriff, S. | | 登録日 | 2016-10-07 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure-Based Design of Macrocyclic Factor XIa Inhibitors: Discovery of the Macrocyclic Amide Linker.
J. Med. Chem., 60, 2017
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2FX6
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2FOD
 | | Structure of porcine pancreatic elastase in 80% ethanol | | 分子名称: | CALCIUM ION, ETHANOL, SULFATE ION, ... | | 著者 | Mattos, C, Bellamacina, C.R, Peisach, E, Pereira, A, Vitkup, D, Petsko, G.A, Ringe, D. | | 登録日 | 2006-01-13 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
J.Mol.Biol., 357, 2006
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2FWW
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6AVL
 | | Orthorhombic Trypsin (295 K) in the presence of 50% xylose | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Juers, D.H. | | 登録日 | 2017-09-02 | | 公開日 | 2017-09-20 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
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