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2B7D
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BU of 2b7d by Molmil
Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model
分子名称: (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor
著者Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R.
登録日2005-10-04
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.
Bioorg.Med.Chem.Lett., 16, 2006
2FLR
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BU of 2flr by Molmil
Novel 5-Azaindole Factor VIIa Inhibitors
分子名称: Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
著者Riggs, J.R, Hu, H, Kolesnikov, A, Tong, Z, Leahy, E.M, Wesson, K.E, Shrader, W.D, Vijaykumar, D, Wahl, T.A, Sprengeler, P.A, Green, M.J, Yu, C, Katz, B.A, Young, W.B.
登録日2006-01-06
公開日2007-01-23
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Novel 5-azaindole factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2FS9
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BU of 2fs9 by Molmil
Human beta tryptase II with inhibitor CRA-28427
分子名称: ETHYL {(1S)-5-AMINO-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]PENTYL}CARBAMATE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-21
公開日2006-03-07
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FXR
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BU of 2fxr by Molmil
human beta tryptase II complexed with activated ketone inhibitor CRA-29382
分子名称: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
著者Katz, B.A.
登録日2006-02-06
公開日2006-02-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
3PHE
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BU of 3phe by Molmil
HCV NS5B with a bound quinolone inhibitor
分子名称: 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein
著者Somoza, J.R, To, N, Lehoux, I.
登録日2010-11-03
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3UDL
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BU of 3udl by Molmil
3-heterocyclyl quinolone bound to HCV NS5B
分子名称: 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one, HCV NS5B polymerase
著者Somoza, J.R.
登録日2011-10-28
公開日2011-12-21
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
2FX4
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BU of 2fx4 by Molmil
Bovine trypsin bound by 4-piperidinebutyrate to make acylenzyme complex
分子名称: 4-PIPERIDINEBUTYRATE, CALCIUM ION, trypsin
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FX6
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BU of 2fx6 by Molmil
bovine trypsin complexed with 2-aminobenzamidazole
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FWW
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BU of 2fww by Molmil
human beta-tryptase II complexed with 4-piperidinebutyrate to make acylenzyme
分子名称: 4-PIPERIDINEBUTYRATE, Tryptase beta-2
著者Katz, B.A.
登録日2006-02-03
公開日2006-02-14
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FPZ
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BU of 2fpz by Molmil
Human tryptase with 2-amino benzimidazole
分子名称: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-17
公開日2006-03-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FS8
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BU of 2fs8 by Molmil
Human beta-tryptase II with inhibitor CRA-29382
分子名称: ALLYL {(1S)-1-[(5-{4-[(2,3-DIHYDRO-1H-INDEN-2-YLAMINO)CARBONYL]BENZYL}-1,2,4-OXADIAZOL-3-YL)CARBONYL]-3-PYRROLIDIN-3-YLPROPYL}CARBAMATE, Tryptase beta-2
著者Somoza, J.R.
登録日2006-01-21
公開日2006-03-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
5V7X
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BU of 5v7x by Molmil
Crystal Structure of Myosin 1b residues 1-728 with bound sulfate and Calmodulin
分子名称: Calmodulin-1, SULFATE ION, Unconventional myosin-Ib
著者Zwolak, A, Shuman, H, Dominguez, R, Ostap, E.M.
登録日2017-03-20
公開日2018-02-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.141 Å)
主引用文献High-resolution cryo-EM structures of actin-bound myosin states reveal the mechanism of myosin force sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4L79
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BU of 4l79 by Molmil
Crystal Structure of nucleotide-free Myosin 1b residues 1-728 with bound Calmodulin
分子名称: Calmodulin, MAGNESIUM ION, Unconventional myosin-Ib
著者Shuman, H, Zwolak, A, Dominguez, R, Ostap, E.M.
登録日2013-06-13
公開日2014-01-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A vertebrate myosin-I structure reveals unique insights into myosin mechanochemical tuning.
Proc.Natl.Acad.Sci.USA, 111, 2014

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