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1MS6
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BU of 1ms6 by Molmil
Dipeptide Nitrile Inhibitor Bound to Cathepsin S.
Descriptor: Cathepsin S, MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
Authors:Ward, Y.D, Thomson, D.S, Frye, L.L, Cywin, C.L, Morwick, T, Emmanuel, M.J, Zindell, R, McNeil, D, Bekkali, Y, Giradot, M, Hrapchak, M, DeTuri, M, Crane, K, White, D, Pav, S, Wang, Y, Hao, M.H, Grygon, C.A, Labadia, M.E, Freeman, D.M, Davidson, W, Hopkins, J.L, Brown, M.L, Spero, D.M.
Deposit date:2002-09-19
Release date:2003-04-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors
J.Med.Chem., 45, 2002
1IAN
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BU of 1ian by Molmil
HUMAN P38 MAP KINASE INHIBITOR COMPLEX
Descriptor: 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE, P38 MAP KINASE
Authors:Tong, L.
Deposit date:1997-03-07
Release date:1998-05-06
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:A highly specific inhibitor of human p38 MAP kinase binds in the ATP pocket.
Nat.Struct.Biol., 4, 1997
3F2A
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BU of 3f2a by Molmil
Crystal structure of human Pim-1 in complex with DAPPA
Descriptor: (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, MAGNESIUM ION, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.
Deposit date:2008-10-29
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hit to lead account of the discovery of a new class of inhibitors of Pim kinases and crystallographic studies revealing an unusual kinase binding mode.
J.Med.Chem., 52, 2009

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