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3BN9
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BU of 3bn9 by Molmil
Crystal Structure of MT-SP1 in complex with Fab Inhibitor E2
分子名称: 1,2-ETHANEDIOL, E2 Fab Heavy Chain, E2 Fab Light Chain, ...
著者Farady, C.J, Schneider, E.L, Egea, P.F, Goetz, D.H, Craik, C.S.
登録日2007-12-13
公開日2008-09-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.173 Å)
主引用文献Structure of an Fab-protease complex reveals a highly specific non-canonical mechanism of inhibition
J.Mol.Biol., 380, 2008
3SO3
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BU of 3so3 by Molmil
Structures of Fab-Protease Complexes Reveal a Highly Specific Non-Canonical Mechanism of Inhibition.
分子名称: A11 FAB heavy chain, A11 FAB light chain, GLYCEROL, ...
著者Schneider, E.L, Farady, C.J, Egea, P.F, Goetz, D.H, Baharuddin, A, Craik, C.S.
登録日2011-06-29
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A reverse binding motif that contributes to specific protease inhibition by antibodies.
J.Mol.Biol., 415, 2012
6FFS
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BU of 6ffs by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
分子名称: 3C Protease, SULFATE ION, ~{N}-[(2~{S},5~{S},14~{S})-2-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-9-methyl-3,8,15-tris(oxidanylidene)-1,4,9-triazacyclopentadec-14-yl]-5-methyl-1,2-oxazole-3-carboxamide
著者Wiesmann, C, Farady, C.
登録日2018-01-09
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6FFN
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BU of 6ffn by Molmil
Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors
分子名称: 3C protease, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Wiesmann, C, Farady, C.
登録日2018-01-08
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure-based design and synthesis of macrocyclic human rhinovirus 3C protease inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
3NPS
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BU of 3nps by Molmil
Crystal structure of membrane-type serine protease 1 (MT-SP1) in complex with the Fab Inhibitor S4
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S4 FAB HEAVY CHAIN, ...
著者Baharuddin, A.
登録日2010-06-29
公開日2011-07-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A reverse binding motif that contributes to specific protease inhibition by antibodies.
J.Mol.Biol., 415, 2012
7ALV
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BU of 7alv by Molmil
Crystal Structure of NLRP3 NACHT domain in complex with a potent inhibitor
分子名称: 1-[4-chloranyl-2,6-di(propan-2-yl)phenyl]-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
著者Dekker, C, Hinniger, A.
登録日2020-10-07
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.835 Å)
主引用文献Crystal Structure of NLRP3 NACHT Domain With an Inhibitor Defines Mechanism of Inflammasome Inhibition.
J.Mol.Biol., 433, 2021
8RI2
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BU of 8ri2 by Molmil
Crystal structure of NLRP3 in complex with inhibitor NP3-562
分子名称: 2-[4-chloranyl-9-oxidanylidene-12-(2-oxidanylpropan-2-yl)-5-thia-1,10,11-triazatricyclo[6.4.0.0^{2,6}]dodeca-2(6),3,7,11-tetraen-10-yl]-~{N}-[(3~{R})-1-methylpiperidin-3-yl]ethanamide, ADENOSINE-5'-DIPHOSPHATE, NACHT, ...
著者Dekker, C.
登録日2023-12-18
公開日2024-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors.
J.Med.Chem., 67, 2024
3BWK
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BU of 3bwk by Molmil
Crystal Structure of Falcipain-3 with Its inhibitor, K11017
分子名称: Cysteine protease falcipain-3, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide, SULFATE ION
著者Kerr, I, Lee, J.H, Brinen, L.S.
登録日2008-01-09
公開日2009-01-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2OZ2
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BU of 2oz2 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone derived inhibitor (K11777)
分子名称: Cruzipain, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE, SULFATE ION
著者Rickert, M, Brinen, L.
登録日2007-02-23
公開日2008-02-26
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009
2P7U
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BU of 2p7u by Molmil
The crystal structure of rhodesain, the major cysteine protease of T. brucei rhodesiense, bound to inhibitor K777
分子名称: Cysteine protease, NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
著者Brinen, L.S, Marion, R.
登録日2007-03-20
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Vinyl sulfones as antiparasitic agents and a structural basis for drug design.
J.Biol.Chem., 284, 2009

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