6GBW
 
 | | Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide) | | 分子名称: | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | 著者 | Sandner, A, Heine, A, Klebe, G. | | 登録日 | 2018-04-16 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
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6RAV
 | | Complement factor B protease domain in complex with the reversible inhibitor 4-((2S,4S)-4-ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | 分子名称: | 4-[(2~{S},4~{S})-4-ethoxy-1-[(5-methoxy-7-methyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-04-08 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6R8X
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5ZLZ
 | | Structure of tPA and PAI-1 | | 分子名称: | GLYCEROL, Plasminogen activator inhibitor 1, Tissue-type plasminogen activator | | 著者 | Min, L, Huang, M. | | 登録日 | 2018-03-31 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.581 Å) | | 主引用文献 | Development of a PAI-1 trapping agent (PAItrap2) based on inactivated tPA-SPD and the crystal structure of PAItrap2 in complex with PAI-1
To Be Published
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6QSX
 | | Complement factor B protease domain in complex with the reversible inhibitor ((2S,4S)-1-((5,7-dimethyl-1H-indol-4-yl)methyl)-4-methoxypiperidin-2-yl)methanol. | | 分子名称: | Complement factor B, SULFATE ION, ZINC ION, ... | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6QSW
 | | Complement factor B protease domain in complex with the reversible inhibitor N-(2-bromo-4-methylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine. | | 分子名称: | Complement factor B, SULFATE ION, ~{N}-(2-bromanyl-4-methyl-naphthalen-1-yl)-4,5-dihydro-1~{H}-imidazol-2-amine | | 著者 | Adams, C.M, Sellner, H, Ehara, T, Mac Sweeney, A, Crowley, M, Anderson, K, Karki, R, Mainolfi, N, Valeur, E, Sirockin, F, Gerhartz, B, Erbel, P, Hughes, N, Smith, T.M, Cumin, F, Argikar, U, Mogi, M, Sedrani, R, Wiesmann, C, Jaffee, B, Maibaum, J, Flohr, S, Harrison, R, Eder, J. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Small-molecule factor B inhibitor for the treatment of complement-mediated diseases.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6O21
 | | Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ... | | 著者 | Ilyichova, O.V, Buckle, A.M. | | 登録日 | 2019-02-22 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
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6E5M
 | | Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 32 2 1 | | 分子名称: | 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | 登録日 | 2018-07-20 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | | 主引用文献 | Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
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6EAT
 | | Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 21 21 21. | | 分子名称: | 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | | 登録日 | 2018-08-03 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.149 Å) | | 主引用文献 | Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
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6O1G
 | | Full length human plasma kallikrein with inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, Plasma kallikrein | | 著者 | Partridge, J.R, Choy, R.M. | | 登録日 | 2019-02-19 | | 公開日 | 2019-03-06 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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6I44
 | | Allosteric activation of human prekallikrein by apple domain disc rotation | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | 著者 | Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J. | | 登録日 | 2018-11-09 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
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6O1S
 | | Structure of human plasma kallikrein protease domain with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | | 著者 | Partridge, J.R, Choy, R.M. | | 登録日 | 2019-02-21 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition.
J.Struct.Biol., 206, 2019
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6I58
 | | Allosteric activation of human prekallikrein by apple domain disc rotation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J. | | 登録日 | 2018-11-13 | | 公開日 | 2019-03-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
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6NMB
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6A8G
 | | The crystal structure of muPAin-1-IG in complex with muPA-SPD at pH8.5 | | 分子名称: | PHOSPHATE ION, Urokinase-type plasminogen activator chain B, muPAin-1-IG | | 著者 | Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. | | 登録日 | 2018-07-08 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides.
J.Med.Chem., 62, 2019
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6A8N
 | | The crystal structure of muPAin-1-IG-2 in complex with muPA-SPD at pH8.5 | | 分子名称: | CYS-PRO-ALA-TYR-SER-ARG-TYR-ILE-GLY-CYS, Urokinase-type plasminogen activator B | | 著者 | Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. | | 登録日 | 2018-07-09 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.489 Å) | | 主引用文献 | Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides.
J.Med.Chem., 62, 2019
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6MV4
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Vadivel, K, Schreuder, H.A, Liesum, A, Bajaj, S.P. | | 登録日 | 2018-10-24 | | 公開日 | 2019-02-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study.
J. Thromb. Haemost., 17, 2019
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6QHC
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6QHB
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK578724A | | 分子名称: | GLYCEROL, Kallikrein-6, ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide | | 著者 | Thorpe, J.H. | | 登録日 | 2019-01-16 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
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6QH9
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A | | 分子名称: | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, GLYCEROL, ... | | 著者 | Thorpe, J.H. | | 登録日 | 2019-01-16 | | 公開日 | 2019-02-06 | | 最終更新日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
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6FJT
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6QHA
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6BX8
 | | Human Mesotrypsin (PRSS3) Complexed with Tissue Factor Pathway Inhibitor Variant (TFPI1-KD1-K15R-I17C-I34C) | | 分子名称: | SULFATE ION, Tissue factor pathway inhibitor, Trypsin-3 | | 著者 | Coban, M, Sankaran, B, Cohen, I, Hockla, A, Papo, N, Radisky, E.S. | | 登録日 | 2017-12-18 | | 公開日 | 2019-02-06 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J. Biol. Chem., 294, 2019
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6HAR
 | | Crystal structure of Mesotrypsin in complex with APPI-M17C/I18F/F34C | | 分子名称: | 1,2-ETHANEDIOL, Amyloid-beta A4 protein, CALCIUM ION, ... | | 著者 | Shahar, A, Cohen, I, Radisky, E, Papo, N. | | 登録日 | 2018-08-08 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | | 主引用文献 | Disulfide engineering of human Kunitz-type serine protease inhibitors enhances proteolytic stability and target affinity toward mesotrypsin.
J.Biol.Chem., 294, 2019
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6DWH
 | | Crystal structure of complex of BBKI and Bovine Trypsin | | 分子名称: | CHLORIDE ION, Cationic trypsin, Kunitz-type inihibitor, ... | | 著者 | Li, M, Wlodawer, A. | | 登録日 | 2018-06-26 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structures of the complex of a kallikrein inhibitor from Bauhinia bauhinioides with trypsin and modeling of kallikrein complexes.
Acta Crystallogr D Struct Biol, 75, 2019
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