6RN9
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![BU of 6rn9 by Molmil](/molmil-images/mine/6rn9) | DPP1 in complex with inhibitor | 分子名称: | (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kack, H. | 登録日 | 2019-05-08 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. Acs Med.Chem.Lett., 10, 2019
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6RN7
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![BU of 6rn7 by Molmil](/molmil-images/mine/6rn7) | DPP1 in complex with inhibitor | 分子名称: | (2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Kack, H. | 登録日 | 2019-05-08 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. Acs Med.Chem.Lett., 10, 2019
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6RN6
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![BU of 6rn6 by Molmil](/molmil-images/mine/6rn6) | DPP1 in complex with inhibitor | 分子名称: | (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Kack, H. | 登録日 | 2019-05-08 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. Acs Med.Chem.Lett., 10, 2019
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6QM0
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![BU of 6qm0 by Molmil](/molmil-images/mine/6qm0) | Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | 著者 | Derbyshire, D.J. | 登録日 | 2019-02-01 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6QLX
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![BU of 6qlx by Molmil](/molmil-images/mine/6qlx) | Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor | 分子名称: | Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide | 著者 | Derbyshire, D.J. | 登録日 | 2019-02-01 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6QLW
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![BU of 6qlw by Molmil](/molmil-images/mine/6qlw) | Cathepsin-K in complex with MIV-710 | 分子名称: | CHLORIDE ION, Cathepsin K, SODIUM ION, ... | 著者 | Derbyshire, D.J. | 登録日 | 2019-02-01 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6QLM
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![BU of 6qlm by Molmil](/molmil-images/mine/6qlm) | Cathepsin-K in complex with MIV-701 | 分子名称: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ... | 著者 | Derbyshire, D.J. | 登録日 | 2019-02-01 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6QL8
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![BU of 6ql8 by Molmil](/molmil-images/mine/6ql8) | Cathepsin-K in complex with MIV-711 | 分子名称: | Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | 著者 | Derbyshire, D.J. | 登録日 | 2019-01-31 | 公開日 | 2020-02-19 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6QBS
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![BU of 6qbs by Molmil](/molmil-images/mine/6qbs) | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | 分子名称: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | 著者 | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | 登録日 | 2018-12-21 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K. J. Am. Chem. Soc., 141, 2019
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6PXF
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![BU of 6pxf by Molmil](/molmil-images/mine/6pxf) | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution | 分子名称: | 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, Cathepsin K | 著者 | Law, S, Aguda, A.H, Nguyen, N.T, Brayer, G.D, Bromme, D. | 登録日 | 2019-07-25 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of human Cathepsin K with an ectosteric inhibitor at 1.85 Angstrom resolution To Be Published
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6PAD
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![BU of 6pad by Molmil](/molmil-images/mine/6pad) | |
6P4E
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![BU of 6p4e by Molmil](/molmil-images/mine/6p4e) | Leishmania mexicana CPB in complex with an aza-nitrile inhibitor | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name), ... | 著者 | Ribeiro, J.F.R, Li, C, De Vita, D, Emsley, J, Montanari, C.A. | 登録日 | 2019-05-27 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | High Resolution X-Ray Crystal Structures of LmCPB2.8 Co-Crystalized with Dipeptidyl Aza-nitrile Inhibitor and Structure Activity Relationships To Be Published
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6OKJ
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![BU of 6okj by Molmil](/molmil-images/mine/6okj) | |
6O2X
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![BU of 6o2x by Molmil](/molmil-images/mine/6o2x) | Structure of cruzain bound to MMTS inhibitor | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | 著者 | Silva, E.B, Dall, E, Ferreira, R.S, Brandstetter, H. | 登録日 | 2019-02-25 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | 主引用文献 | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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6N3S
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![BU of 6n3s by Molmil](/molmil-images/mine/6n3s) | Crystal structure of apo-cruzain | 分子名称: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | 著者 | Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H. | 登録日 | 2018-11-16 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.193 Å) | 主引用文献 | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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6MIS
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![BU of 6mis by Molmil](/molmil-images/mine/6mis) | Native ananain in complex with E-64 | 分子名称: | Ananain, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | 著者 | Yongqing, T, Wilmann, P.G, Pike, R.N, Wijeyewickrema, L.C. | 登録日 | 2018-09-20 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Determination of the crystal structure and substrate specificity of ananain. Biochimie, 166, 2019
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6JW9
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![BU of 6jw9 by Molmil](/molmil-images/mine/6jw9) | |
6JD8
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![BU of 6jd8 by Molmil](/molmil-images/mine/6jd8) | |
6JD0
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![BU of 6jd0 by Molmil](/molmil-images/mine/6jd0) | Structure of mutant human cathepsin L, engineered for GAG binding | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Cathepsin L1, ... | 著者 | Choudhury, D, Biswas, S. | 登録日 | 2019-01-30 | 公開日 | 2020-02-05 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.805 Å) | 主引用文献 | Structure-guided protein engineering of human cathepsin L for efficient collagenolytic activity. Protein Eng.Des.Sel., 34, 2021
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6IC7
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![BU of 6ic7 by Molmil](/molmil-images/mine/6ic7) | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | 分子名称: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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6IC6
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![BU of 6ic6 by Molmil](/molmil-images/mine/6ic6) | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | 分子名称: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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6IC5
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![BU of 6ic5 by Molmil](/molmil-images/mine/6ic5) | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 2 | 分子名称: | (2~{S})-2-azanyl-~{N}-[(1~{R},2~{R})-1-(iminomethyl)-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]-3-thiophen-2-yl-propanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | 登録日 | 2018-12-02 | 公開日 | 2019-04-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C. Biochem. Pharmacol., 164, 2019
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6HGY
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![BU of 6hgy by Molmil](/molmil-images/mine/6hgy) | CRYSTAL STRUCTURE OF CATHEPSIN K WITH N-DESMETHYL THALASSOSPIRAMIDE C | 分子名称: | Cathepsin K, THALASSOSPIRAMIDE C | 著者 | Zakarian, A, Buckman, B.O, Adler, M, Griessner, A, Blaesse, M. | 登録日 | 2018-08-23 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Total Synthesis of Covalent Cysteine Protease Inhibitor N-Desmethyl Thalassospiramide C and Crystallographic Evidence for Its Mode of Action. Org.Lett., 21, 2019
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6H8T
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![BU of 6h8t by Molmil](/molmil-images/mine/6h8t) | Crystal structure of Papain modify by achiral Ru(II)complex | 分子名称: | ACETATE ION, CHLORIDE ION, Papain, ... | 著者 | Cherrier, M.V, Amara, P, Talbi, B, Salmin, M, Fontecilla-Camps, J.C. | 登録日 | 2018-08-03 | 公開日 | 2018-09-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystallographic evidence for unexpected selective tyrosine hydroxylations in an aerated achiral Ru-papain conjugate. Metallomics, 10, 2018
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6F06
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![BU of 6f06 by Molmil](/molmil-images/mine/6f06) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | 分子名称: | (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, CHLORIDE ION, Cathepsin L1, ... | 著者 | Kuglstatter, A, Stihle, M. | 登録日 | 2017-11-17 | 公開日 | 2018-04-11 | 最終更新日 | 2018-05-09 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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