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

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6C2W	Crystal structure of human prothrombin mutant S101C/A470C 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Prothrombin, ... 著者 Chinnaraj, M, Chen, Z, Pelc, L, Grese, Z, Bystranowska, D, Di Cera, E, Pozzi, N. 登録日 2018-01-09 公開日 2018-02-28 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (4.12 Å) 主引用文献 Structure of prothrombin in the closed form reveals new details on the mechanism of activation. Sci Rep, 8, 2018
6B6O	Orthorhombic trypsin cryocooled to 100 K with 20% xylose 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 2018-02-21 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.400081 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
5WOT	NMR solution structure of a-lytic protease using two 4D-spectra 分子名称: Alpha-lytic protease 著者 Evangelidis, T, Nerli, S, Sgourakis, N.G, Tripsianes, K. 登録日 2017-08-03 公開日 2018-02-07 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Automated NMR resonance assignments and structure determination using a minimal set of 4D spectra. Nat Commun, 9, 2018
6FID	Bovine trypsin solved by S-SAD on ID30B 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 McCarthy, A.A, Mueller-Dieckmann, C. 登録日 2018-01-18 公開日 2018-02-07 最終更新日 2018-08-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 ID30B - a versatile beamline for macromolecular crystallography experiments at the ESRF. J Synchrotron Radiat, 25, 2018
5LH4	Trypsin inhibitors for the treatment of pancreatitis - cpd 1 分子名称: (2~{S},4~{S})-1-[4-(aminomethyl)phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-(2,2-diphenylethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... 著者 Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. 登録日 2016-07-08 公開日 2018-01-17 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.37 Å) 主引用文献 Trypsin inhibitors for the treatment of pancreatitis. Bioorg. Med. Chem. Lett., 26, 2016
5MNG	Cationic trypsin in complex with benzamidine (deuterated sample at 100 K) 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.86 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
5MNP	Cationic trypsin in complex with N-amidinopiperidine (at 295 K) 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.01 Å) 主引用文献 Cationic trypsin in complex with N-amidinopiperidine (at 295 K) to be published
5MNZ	Neutron structure of cationic trypsin in its apo form 分子名称: 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 2018-01-17 最終更新日 2024-01-17 実験手法 NEUTRON DIFFRACTION (1.45 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
5MNH	Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.93 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
5MNO	Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 295 K) 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.96 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
5MOP	Joint X-ray/neutron structure of cationic trypsin in its apo form 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 2018-01-17 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (0.99 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
5MRS	Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF 分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. 登録日 2016-12-26 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF To Be Published
5MNK	Cationic trypsin in complex with benzylamine (deuterated sample at 100 K) 分子名称: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.799 Å) 主引用文献 Cationic trypsin in complex with benzylamine (deuterated sample at 100 K) to be published
5MNF	Cationic trypsin in its apo form (deuterated sample at 295 K) 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.99 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
5MNM	Cationic trypsin in complex with benzylamine (at 295 K) 分子名称: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Cationic trypsin in complex with benzylamine (at 295 K) to be published
5MNE	Cationic trypsin in its apo form (deuterated sample at 100 K) 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.008 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
5MNN	Cationic trypsin in complex with N-amidinopiperidine (deuterated sample at 100 K) 分子名称: CALCIUM ION, Cationic trypsin, SULFATE ION, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.859 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
5MNQ	Cationic trypsin in complex with a derivative of N-amidinopiperidine 分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Ngo, K, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.337 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
5MS3	Kallikrein-related peptidase 8 calcium complex 分子名称: CALCIUM ION, Kallikrein-8 著者 Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. 登録日 2016-12-30 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures To Be Published
5MRR	Crystal structure of L1 protease of Lysobacter sp. XL1 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... 著者 Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. 登録日 2016-12-26 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal structure of L1 protease of Lysobacter sp. XL1 To Be Published
5MNL	Cationic trypsin in complex with benzylamine (deuterated sample at 295 K) 分子名称: BENZYLAMINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.039 Å) 主引用文献 Cationic trypsin in complex with benzylamine (deuterated sample at 295 K) to be published
5MS4	Kallikrein-related peptidase 8 leupeptin inhibitor complex 分子名称: CALCIUM ION, Kallikrein-8, LEUPEPTIN, ... 著者 Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. 登録日 2016-12-30 公開日 2018-01-17 最終更新日 2019-10-09 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin. Sci Rep, 8, 2018
5YJP	Human chymase in complex with 3-(ethoxyimino)-7-oxo-1,4-diazepane derivative 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-3-(ethoxyimino)-7-oxo-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... 著者 Sugawara, H. 登録日 2017-10-11 公開日 2017-12-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
5YJM	Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic acid, ZINC ION, ... 著者 Sugawara, H. 登録日 2017-10-11 公開日 2017-12-27 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors Bioorg. Med. Chem. Lett., 28, 2018
5MLS	Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(3-chlorobenzyl)pyrrolidine-2-carboxamide 分子名称: D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Marca, A, Sandner, A, Heine, A, Klebe, G. 登録日 2016-12-07 公開日 2017-12-20 最終更新日 2018-06-13 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Thrombin Mutante A190S in complex with (S)-1-((R)-2-amino-3,3-diphenylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide to be published

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