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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
Descriptor: (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor
Authors: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.
Deposit date:2005-10-04
Release date:2006-02-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.24 Å)
Cite: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
Descriptor: Coagulation factor VII, Tissue factor, [2'-HYDROXY-3'-(1H-PYRROLO[3,2-C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-UREA
Authors: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.
Deposit date:2006-01-06
Release date:2007-01-23
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Novel 5-azaindole factor VIIa inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3PHE
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BU of 3phe by Molmil
HCV NS5B with a bound quinolone inhibitor
Descriptor: 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
Authors:Somoza, J.R, To, N, Lehoux, I.
Deposit date:2010-11-03
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 4-PIPERIDINEBUTYRATE, CALCIUM ION, trypsin
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, Trypsin
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite: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
Descriptor: 4-PIPERIDINEBUTYRATE, Tryptase beta-2
Authors:Katz, B.A.
Deposit date:2006-02-03
Release date:2006-02-14
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-17
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
2FS9
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BU of 2fs9 by Molmil
Human beta tryptase II with inhibitor CRA-28427
Descriptor: 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
Authors:Somoza, J.R.
Deposit date:2006-01-21
Release date:2006-03-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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
Authors:Katz, B.A.
Deposit date:2006-02-06
Release date:2006-02-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
3UDL
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BU of 3udl by Molmil
3-heterocyclyl quinolone bound to HCV NS5B
Descriptor: 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
Authors:Somoza, J.R.
Deposit date:2011-10-28
Release date:2011-12-21
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Quinolones as HCV NS5B polymerase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

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