PDB: 2569 件ウェブページステータス検索Chemie searchBIRD

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6FUJ	Complement factor D in complex with the inhibitor N-(3'-(aminomethyl)-[1,1'-biphenyl]-3-yl)-3-methylbutanamide 分子名称: Complement factor D, ~{N}-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-butanamide 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 (2.25 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
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
5NX1	Combinatorial Engineering of Proteolytically Resistant APPI Variants that Selectively Inhibit Human Kallikrein 6 for Cancer Therapy 分子名称: Amyloid-beta A4 protein, Kallikrein-6 著者 Shahar, A, Sananes, A, Radisky, E.S, Papo, N. 登録日 2017-05-09 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.853 Å) 主引用文献 A potent, proteolysis-resistant inhibitor of kallikrein-related peptidase 6 (KLK6) for cancer therapy, developed by combinatorial engineering. J.Biol.Chem., 293, 2018
5NX3	Combinatorial Engineering of Proteolytically Resistant APPI Variants that Selectively Inhibit Human Kallikrein 6 for Cancer Therapy 分子名称: Amyloid-beta A4 protein, Kallikrein-6 著者 Shahar, A, Sananes, A, Radisky, E.S, Papo, N. 登録日 2017-05-09 公開日 2018-05-30 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.296 Å) 主引用文献 A potent, proteolysis-resistant inhibitor of kallikrein-related peptidase 6 (KLK6) for cancer therapy, developed by combinatorial engineering. J.Biol.Chem., 293, 2018
6CYM	Reversible Covalent Direct Thrombin Inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxybenzoic acid, Prothrombin, ... 著者 Sivaraja, M, Williams, D.C. 登録日 2018-04-06 公開日 2018-05-09 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Reversible covalent direct thrombin inhibitors. PLoS ONE, 13, 2018
5WI6	Human beta-1 tryptase mutant Ile99Cys 分子名称: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, SULFATE ION, Tryptase alpha/beta-1 著者 Eigenbrot, C, Maun, H.R. 登録日 2017-07-18 公開日 2018-04-25 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.72 Å) 主引用文献 Dual functionality of beta-tryptase protomers as both proteases and cofactors in the active tetramer. J. Biol. Chem., 293, 2018
6EW9	CRYSTAL STRUCTURE OF DEGS STRESS SENSOR PROTEASE IN COMPLEX WITH ACTIVATING DNRLGLVYQF PEPTIDE 分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, DNRLGLVYQF PEPTIDE, ... 著者 Vetter, I.R, Porfetye, A.T, Stege, P. 登録日 2017-11-03 公開日 2018-04-25 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes. ACS Chem. Biol., 13, 2018
5XWA	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 10 分子名称: Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-29 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
5XW9	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7 分子名称: Acetylated-Pro-Arg-Tyr Inhibitor, CALCIUM ION, Trypsin 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-29 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
5XWJ	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 7 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ... 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-29 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
5XWL	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, TRE, at pH 10 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-THR-ARG-GLU Inhibitor, CALCIUM ION, ... 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-29 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
5XW8	Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, at pH 7 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Acetylated-Pro-Arg-Asn Inhibitor, CALCIUM ION, ... 著者 Saikhedkar, N.S, Bhoite, A.S, Giri, A.P, Kulkarni, K.A. 登録日 2017-06-29 公開日 2018-03-28 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.002 Å) 主引用文献 Tripeptides derived from reactive centre loop of potato type II protease inhibitors preferentially inhibit midgut proteases of Helicoverpa armigera. Insect Biochem. Mol. Biol., 95, 2018
5MM8	Atomic resolution structure of SplE protease from Staphylococcus aureus 分子名称: ACETATE ION, Serine protease SplE 著者 Stach, N, Zdzalik, M, Dubin, G. 登録日 2016-12-08 公開日 2018-03-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Unique Substrate Specificity of SplE Serine Protease from Staphylococcus aureus. Structure, 26, 2018
5NAT	Complement factor D in complex with the inhibitor (S)-Pyrrolidine-1,2-dicarboxylic acid 1-[(1-methyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] 分子名称: (2~{S})-~{N}1-(1-methylindol-3-yl)-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D, GLYCEROL 著者 Mac Sweeney, A, Ostermann, N. 登録日 2017-02-28 公開日 2018-03-21 最終更新日 2019-10-02 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo. J.Med.Chem., 60, 2017
6B77	Structures of the two-chain human plasma factor XIIa co-crystallized with potent inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XII, GLYCEROL, ... 著者 Dementiev, A.A, Silva, A, Yee, C, Flavin, M.T, Partridge, J.R. 登録日 2017-10-03 公開日 2018-03-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors. Blood Adv, 2, 2018
6B74	Structures of the two-chain human plasma Factor XIIa co-crystallized with potent inhibitors 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, Coagulation factor XII, ... 著者 Dementiev, A.A, Partridge, J.R. 登録日 2017-10-03 公開日 2018-03-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.323 Å) 主引用文献 Structures of human plasma beta-factor XIIa cocrystallized with potent inhibitors. Blood Adv, 2, 2018
6AOD	FXIa antibody complex 分子名称: COBALT (II) ION, Coagulation factor XI, FXIa Antibody FAB Heavy Chain, ... 著者 Lolicato, M, Minor, D.L. 登録日 2017-08-15 公開日 2018-03-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Basis for Activity and Specificity of an Anticoagulant Anti-FXIa Monoclonal Antibody and a Reversal Agent. Structure, 26, 2018
6B6T	Orthorhombic trypsin cryocooled to 100 K with 50% methanol as cryoprotectant 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Juers, D.H. 登録日 2017-10-03 公開日 2018-03-14 最終更新日 2020-01-01 実験手法 X-RAY DIFFRACTION (2.00000477 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
6C0S	Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... 著者 Sheriff, S. 登録日 2018-01-02 公開日 2018-03-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
5MOS	Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ... 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-14 公開日 2018-02-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
5MO1	Neutron structure of cationic trypsin in complex with benzylamine 分子名称: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 NEUTRON DIFFRACTION (1.491 Å) 主引用文献 Neutron structure of cationic trypsin in complex with benzylamine to be published
5MOQ	Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-14 公開日 2018-02-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
5MOR	Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine 分子名称: (phenylmethyl)azanium, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-14 公開日 2018-02-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (0.98 Å), X-RAY DIFFRACTION 主引用文献 Joint X-ray/neutron structure of cationic trypsin in complex with benzylamine to be published
5MO2	Neutron structure of cationic trypsin in complex with N-amidinopiperidine 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ... 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 NEUTRON DIFFRACTION (1.5 Å) 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
5MO0	Neutron structure of cationic trypsin in complex with benzamidine 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 NEUTRON DIFFRACTION (1.502 Å) 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018

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