PDB: 457 件ウェブページステータス検索Chemie searchBIRD

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8HFV	Crystal structure of CTSL in complex with K777 分子名称: CACODYLATE ION, Nalpha-[(4-methylpiperazin-1-yl)carbonyl]-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-phenylalaninamide, Procathepsin L, ... 著者 Wang, H, Shao, M, Sun, L, Yang, H. 登録日 2022-11-12 公開日 2023-12-13 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
8HEN	Crystal structure of CTSB in complex with 212-148 分子名称: 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate, Cathepsin B, DIMETHYL SULFOXIDE, ... 著者 Wang, H, Li, D, Sun, L, Yang, H. 登録日 2022-11-08 公開日 2023-12-13 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure-based discovery of dual pathway inhibitors for SARS-CoV-2 entry. Nat Commun, 14, 2023
4YYS	Ficin B crystal form II 分子名称: Ficin isoform B, PHOSPHATE ION 著者 Azarkan, M, Baeyens-Volant, D, Loris, R. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Crystal structure of four variants of the protease Ficin from the common fig To Be Published
4YYQ	Ficin A 分子名称: Ficin isoform A 著者 Azarkan, M, Baeyens-Volant, D, Loris, R. 登録日 2015-03-24 公開日 2016-04-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.594 Å) 主引用文献 Crystal structure of four variants of the protease Ficin from the common fig To Be Published
3MOR	Crystal structure of Cathepsin B from Trypanosoma Brucei 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ... 著者 Cupelli, K, Stehle, T. 登録日 2010-04-23 公開日 2011-11-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 In vivo protein crystallization opens new routes in structural biology. Nat.Methods, 9, 2012
5A24	Crystal structure of Dionain-1, the major endopeptidase in the Venus flytrap digestive juice 分子名称: DIONAIN-1, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, PHOSPHATE ION 著者 Risor, M.W, Thomsen, L.R, Sanggaard, K.W, Nielsen, T.A, Thogersen, I.B, Lukassen, M.V, Rossen, L, Garcia-Ferrer, I, Guevara, T, Meinjohanns, E, Nielsen, N.C, Gomis-Ruth, F.X, Enghild, J.J. 登録日 2015-05-12 公開日 2015-12-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Enzymatic and Structural Characterization of the Major Endopeptidase in the Venus Flytrap Digestion Fluid. J.Biol.Chem., 291, 2016
4YV8	Crystal structure of cathepsin K bound to the covalent inhibitor lichostatinal 分子名称: Cathepsin K, Lichostatinal, SULFATE ION 著者 Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. 登録日 2015-03-19 公開日 2016-05-04 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts. J.Nat.Prod., 79, 2016
1U9Q	Crystal structure of cruzain bound to an alpha-ketoester 分子名称: [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER, cruzipain 著者 Lange, M, Weston, S.G, Cheng, H, Culliane, M, Fiorey, M.M, Grisostomi, C, Hardy, L.W, Hartstough, D.S, Pallai, P.V, Tilton, R.F, Baldino, C.M, Brinen, L.S, Engel, J.C, Choe, Y, Price, M.S, Craik, C.S. 登録日 2004-08-10 公開日 2005-03-29 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Development of alpha-keto-based inhibitors of cruzain, a cysteine protease implicated in Chagas disease Bioorg.Med.Chem., 13, 2005
1U9W	Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABI491 分子名称: 9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-2-CARBONITRILE, Cathepsin K 著者 Cowan-Jacob, S.W. 登録日 2004-08-11 公開日 2005-08-11 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K J.Med.Chem., 47, 2004
1U9V	Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABE854 分子名称: 6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN-1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE, Cathepsin K 著者 Cowan-Jacob, S.W. 登録日 2004-08-11 公開日 2005-08-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K J.Med.Chem., 47, 2004
1S4V	The 2.0 A crystal structure of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm 分子名称: DVA-LEU-LYS-0QE peptide, SULFATE ION, cysteine endopeptidase 著者 Than, M.E, Helm, M, Simpson, D.J, Lottspeich, F, Huber, R, Gietl, C. 登録日 2004-01-19 公開日 2004-03-16 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The 2.0 A crystal structure and substrate specificity of the KDEL-tailed cysteine endopeptidase functioning in programmed cell death of Ricinus communis endosperm. J.Mol.Biol., 336, 2004
1TU6	Cathepsin K complexed with a ketoamide inhibitor 分子名称: Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE 著者 Barrett, D.G, Catalano, J.G, Deaton, D.N, Hassell, A.M, Long, S.T, Miller, A.B, Miller, L.R, Shewchuk, L.M, Wells-Knecht, K.J, Wright, L.L. 登録日 2004-06-24 公開日 2004-09-21 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions BIOORG.MED.CHEM.LETT., 14, 2004
1U9X	Crystal Structure of the Cysteine Protease Human Cathepsin K in Complex with the Covalent Inhibitor NVP-ABJ688 分子名称: 9-CYCLOPENTYL-6-{2-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-9H-PURINE-2-CARBONITRILE, Cathepsin K 著者 Cowan-Jacob, S.W. 登録日 2004-08-11 公開日 2005-08-11 最終更新日 2017-10-11 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K J.Med.Chem., 47, 2004
1SP4	Crystal structure of NS-134 in complex with bovine cathepsin B: a two headed epoxysuccinyl inhibitor extends along the whole active site cleft 分子名称: Cathepsin B, methyl N-[(2S)-4-{[(1S)-1-{[(2S)-2-carboxypyrrolidin-1-yl]carbonyl}-3-methylbutyl]amino}-2-hydroxy-4-oxobutanoyl]-L-leucylglycylglycinate 著者 Stern, I, Schaschke, N, Moroder, L, Turk, D. 登録日 2004-03-16 公開日 2004-05-04 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of NS-134 in complex with bovine cathepsin B: a two-headed epoxysuccinyl inhibitor extends along the entire active-site cleft. Biochem.J., 381, 2004
1SNK	Cathepsin K complexed with carbamate derivatized norleucine aldehyde 分子名称: Cathepsin K, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE, SULFATE ION 著者 Boros, E.E, Deaton, D.N, Hassell, A.M, McFadyen, R.B, Miller, A.B, Miller, L.R, Shewchuk, L.M, Thompson, J.B, Willard Jr, D.H, Wright, L.L. 登録日 2004-03-11 公開日 2004-06-22 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors Bioorg.Med.Chem.Lett., 14, 2004
1THE	CRYSTAL STRUCTURES OF RECOMBINANT RAT CATHEPSIN B AND A CATHEPSIN B-INHIBITOR COMPLEX: IMPLICATIONS FOR STRUCTURE-BASED INHIBITOR DESIGN 分子名称: Cathepsin B, amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium 著者 Huber, C.P, Jia, Z. 登録日 1995-09-15 公開日 1996-03-10 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structures of recombinant rat cathepsin B and a cathepsin B-inhibitor complex. Implications for structure-based inhibitor design. J.Biol.Chem., 270, 1995
4AXL	HUMAN CATHEPSIN L APO FORM WITH ZN 分子名称: ACETATE ION, CATHEPSIN L1, GLYCEROL, ... 著者 Banner, D.W, Benz, J. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L Chemmedchem, 8, 2013
4AXM	TRIAZINE CATHEPSIN INHIBITOR COMPLEX 分子名称: 4-[(4-chlorobenzyl)(cyclohexyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carboxamide, CATHEPSIN L1, GLYCEROL 著者 Ehmke, V, Diederich, F, Banner, D.W, Benz, J. 登録日 2012-06-13 公開日 2013-05-08 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Optimization of Triazine Nitriles as Rhodesain Inhibitors: Structure-Activity Relationships, Bioisosteric Imidazopyridine Nitriles, and X-Ray Crystal Structure Analysis with Human Cathepsin L Chemmedchem, 8, 2013
4N8W	cathepsin K - chondroitin sulfate complex 分子名称: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, Cathepsin K 著者 Aguda, A.H, Nguyen, N.T, Bromme, D, Brayer, G.D. 登録日 2013-10-18 公開日 2014-11-26 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Structural basis of collagen fiber degradation by cathepsin K. Proc.Natl.Acad.Sci.USA, 111, 2014
4MZS	Mouse cathepsin s with covalent ligand (3S,4S)-1-[(2-CHLOROPHENYL)SULFONYL]-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)PYRROLIDINE-3-CARBOXAMIDE 分子名称: (3S,4S)-1-[(2-chlorophenyl)sulfonyl]-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)pyrrolidine-3-carboxamide, Cathepsin S 著者 Kuglstatter, A, Stihle, M. 登録日 2013-09-30 公開日 2014-08-20 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J.Med.Chem., 56, 2013
4N4Z	Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. 登録日 2013-10-08 公開日 2014-02-05 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Serial crystallography on in vivo grown microcrystals using synchrotron radiation. IUCrJ, 1, 2014
4MZO	Mouse cathepsin s with covalent ligand (3S,4S)-N-[(2E)-2-IMINOETHYL]-4-(MORPHOLIN-4-YLCARBONYL)-1-(PHENYLSULFONYL)PYRROLIDINE-3-CARBOXAMIDE 分子名称: (3S,4S)-N-[(2E)-2-iminoethyl]-4-(morpholin-4-ylcarbonyl)-1-(phenylsulfonyl)pyrrolidine-3-carboxamide, Cathepsin S 著者 Kuglstatter, A, Stihle, M. 登録日 2013-09-30 公開日 2014-09-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds. J.Med.Chem., 56, 2013
4P6G	Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor. 分子名称: (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S 著者 Wang, Y, Jadhav, P.K. 登録日 2014-03-24 公開日 2014-10-29 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. Acs Med.Chem.Lett., 5, 2014
2PAD	BINDING OF CHLOROMETHYL KETONE SUBSTRATE ANALOGUES TO CRYSTALLINE PAPAIN 分子名称: CYSTEINE, PAPAIN 著者 Drenth, J, Kalk, K.H, Swen, H.M. 登録日 1976-11-01 公開日 1977-04-12 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Binding of chloromethyl ketone substrate analogues to crystalline papain. Biochemistry, 15, 1976
4PAD	Binding of chloromethyl ketone substrate analogues to crystalline papain 分子名称: N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, PAPAIN 著者 Drenth, J. 登録日 1976-11-01 公開日 1977-04-12 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Binding of chloromethyl ketone substrate analogues to crystalline papain. Biochemistry, 15, 1976

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