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3LIV
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BU of 3liv by Molmil
crystal structure of HTLV protease complexed with the inhibitor KNI-10683
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-N-[(2R)-3,3-dimethylbutan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3LIT
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BU of 3lit by Molmil
The crystal structure of htlv protease complexed with the inhibitor KNI-10681
分子名称: (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide, Protease
著者Satoh, T, Li, M, Nguyen, J, Kiso, Y, Wlodawer, A, Gustchina, A.
登録日2010-01-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Crystal structures of inhibitor complexes of human T-cell leukemia virus (HTLV-1) protease.
J.Mol.Biol., 401, 2010
3NR6
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BU of 3nr6 by Molmil
Crystal structure of xenotropic murine leukemia virus-related virus (XMRV) protease
分子名称: PHOSPHATE ION, POTASSIUM ION, Protease p14
著者Lubkowski, J, Li, M, Gustchina, A, Zhou, D, Dauter, Z, Wlodawer, A.
登録日2010-06-30
公開日2011-02-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of XMRV protease differs from the structures of other retropepsins.
Nat.Struct.Mol.Biol., 18, 2011
7JR2
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BU of 7jr2 by Molmil
Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin
分子名称: Cationic trypsin, Kunitz-type inihibitor, SULFATE ION
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-11
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JOD
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BU of 7jod by Molmil
Crytsal structure of BbKI complexed with Human Kallikrein 4
分子名称: CADMIUM ION, CHLORIDE ION, Kallikrein 4 (Prostase, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-06
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
7JOW
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BU of 7jow by Molmil
Crystal structure of BbKI complexed with Human Kallikrein 4
分子名称: CADMIUM ION, CHLORIDE ION, Kallikrein 4 (Prostase, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-07
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
7JR1
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BU of 7jr1 by Molmil
Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Bovine Trypsin
分子名称: Cationic trypsin, Kunitz-type inihibitor, SODIUM ION, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-11
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JQO
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BU of 7jqo by Molmil
Crystal structure of the R64D mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
分子名称: CADMIUM ION, CHLORIDE ION, Kallikrein-4, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-11
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JQK
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BU of 7jqk by Molmil
Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
分子名称: CADMIUM ION, CHLORIDE ION, Kallikrein-4, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-11
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JRX
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BU of 7jrx by Molmil
Crystal structure of the R64F mutant of Bauhinia Bauhinioides complexed with Bovine Chymotrypsin
分子名称: Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-13
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JQV
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BU of 7jqv by Molmil
Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
分子名称: CHLORIDE ION, Kallikrein 4 (Prostase, enamel matrix, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-11
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7JOS
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BU of 7jos by Molmil
Crystal structure of BbKI complexed with Human Kallikrein 4
分子名称: Kallikrein 4 (Prostase, enamel matrix, prostate), ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-07
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
7JOE
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BU of 7joe by Molmil
Crystal structure of BbKI complexed with Human Kallikrein 4
分子名称: Kallikrein 4 (Prostase, enamel matrix, prostate), ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-06
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI
Acta Crystallogr.,Sect.D, 77, 2021
7JQN
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BU of 7jqn by Molmil
Crystal structure of the R64M mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
分子名称: CADMIUM ION, CHLORIDE ION, Kallikrein-4, ...
著者Li, M, Wlodawer, A, Gustchina, A.
登録日2020-08-11
公開日2021-07-21
最終更新日2021-08-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural studies of complexes of kallikrein 4 with wild-type and mutated forms of the Kunitz-type inhibitor BbKI.
Acta Crystallogr D Struct Biol, 77, 2021
7RY7
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BU of 7ry7 by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Plasmepsin X
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-08-24
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structures of plasmepsin X from Plasmodium falciparum reveal a novel inactivation mechanism of the zymogen and molecular basis for binding of inhibitors in mature enzyme.
Protein Sci., 31, 2022
6DWH
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BU of 6dwh by Molmil
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
6U5Z
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BU of 6u5z by Molmil
Cryo-EM structure of E. coli LonA S679A
分子名称: Lon protease
著者Botos, I, Lountos, G.T, Weimin, W, Wlodawer, A.
登録日2019-08-28
公開日2020-02-26
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structure of substrate-free E. coli Lon protease provides insights into the dynamics of Lon machinery
Curr Res Struct Biol, 1, 2020
7VE0
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BU of 7ve0 by Molmil
Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2021-09-07
公開日2023-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
7VE2
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BU of 7ve2 by Molmil
Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, Plasmepsin II
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2021-09-07
公開日2023-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery.
Curr Res Struct Biol, 7, 2024
4ZOT
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BU of 4zot by Molmil
Crystal structure of BbKI, a disulfide-free plasma kallikrein inhibitor at 1.4 A resolution
分子名称: Kunitz-type serine protease inhibitor BbKI
著者Shabalin, I.G, Zhou, D, Wlodawer, A, Oliva, M.L.V.
登録日2015-05-06
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of BbKI, a disulfide-free plasma kallikrein inhibitor.
Acta Crystallogr.,Sect.F, 71, 2015
5YIA
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BU of 5yia by Molmil
Crystal Structure of KNI-10343 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-hydroxyphenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ...
著者Rathore, I, Mishra, V, Bhaumik, P.
登録日2017-10-03
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YIE
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BU of 5yie by Molmil
Crystal Structure of KNI-10742 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-3-[(2S,3S)-3-[2-[4-[2-azanylethyl(ethyl)amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2017-10-04
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YIC
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BU of 5yic by Molmil
Crystal Structure of KNI-10333 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-3-[(2S,3S)-3-[[(2R)-2-[2-(4-aminophenyl)ethanoylamino]-3-methylsulfanyl-propanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, GLYCEROL, ...
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2017-10-03
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YIB
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BU of 5yib by Molmil
Crystal Structure of KNI-10743 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-3-[(2S,3S)-3-[2-[4-[2-(dimethylamino)ethyl-methyl-amino]-2,6-dimethyl-phenoxy]ethanoylamino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-N-[(1S,2R)-2-oxidanyl-2,3-dihydro-1H-inden-1-yl]-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ...
著者Rathore, I, Mishra, V, Bhaumik, P.
登録日2017-10-03
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018
5YID
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BU of 5yid by Molmil
Crystal Structure of KNI-10395 bound Plasmepsin II (PMII) from Plasmodium falciparum
分子名称: (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-{[S-methyl-N-(phenylacetyl)-L-cysteinyl]amino}-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ...
著者Mishra, V, Rathore, I, Bhaumik, P.
登録日2017-10-04
公開日2018-07-11
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Deciphering the mechanism of potent peptidomimetic inhibitors targeting plasmepsins - biochemical and structural insights.
Febs J., 285, 2018

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