Author results

1MS6
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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
1Y6A
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 2-ANILINO-5-ARYL-OXAZOLE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE
Authors:Harris, P.A., Cheung, M., Hunter, R.N., Brown, M.L., Veal, J.M., Nolte, R.T., Wang, L., Liu, W., Crosby, R.M., Johnson, J.H., Epperly, A.H., Kumar, R., Luttrell, D.K., Stafford, J.A.
Deposit date:2004-12-05
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1Y6B
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 2-ANILINO-5-ARYL-OXAZOLE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Harris, P.A., Cheung, M., Hunter, R.N., Brown, M.L., Veal, J.M., Nolte, R.T., Wang, L., Liu, W., Crosby, R.M., Johnson, J.H., Epperly, A.H., Kumar, R., Luttrell, D.K., Stafford, J.A.
Deposit date:2004-12-05
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
2R9M
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CATHEPSIN S COMPLEXED WITH COMPOUND 15
Descriptor:Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D., Emmanuel, M.J., Thomson, D.S., Liu, W., Bekkali, Y., Frye, L.L., Girardot, M., Morwick, T., Young, E.R.R., Zindell, R., Hrapchak, M., DeTuri, M., White, A., Crane, K.M., White, D.M., Wang, Y., Hao, M.-H., Grygon, C.A., Labadia, M.E., Wildeson, J., Freeman, D., Nelson, R., Capolino, A., Peterson, J.D., Raymond, E.L., Brown, M.L., Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
2R9N
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CATHEPSIN S COMPLEXED WITH COMPOUND 26
Descriptor:Cathepsin S, N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D., Emmanuel, M.J., Thomson, D.S., Liu, W., Bekkali, Y., Frye, L.L., Girardot, M., Morwick, T., Young, E.R.R., Zindell, R., Hrapchak, M., DeTuri, M., White, A., Crane, K.M., White, D.M., Wang, Y., Hao, M.-H., Grygon, C.A., Labadia, M.E., Wildeson, J., Freeman, D., Nelson, R., Capolino, A., Peterson, J.D., Raymond, E.L., Brown, M.L., Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
2R9O
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CATHEPSIN S COMPLEXED WITH COMPOUND 8
Descriptor:Cathepsin S, N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
Authors:Ward, Y.D., Emmanuel, M.J., Thomson, D.S., Liu, W., Bekkali, Y., Frye, L.L., Girardot, M., Morwick, T., Young, E.R.R., Zindell, R., Hrapchak, M., DeTuri, M., White, A., Crane, K.M., White, D.M., Wang, Y., Hao, M.-H., Grygon, C.A., Labadia, M.E., Wildeson, J., Freeman, D., Nelson, R., Capolino, A., Peterson, J.D., Raymond, E.L., Brown, M.L., Spero, D.M.
Deposit date:2007-09-13
Release date:2007-12-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
to be published
1IAN
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HUMAN P38 MAP KINASE INHIBITOR COMPLEX
Descriptor:P38 MAP KINASE, 4-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
Authors:Tong, L.
Deposit date:1997-03-07
Release date:1998-05-06
Last modified:2011-07-13
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
4L02
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CRYSTAL STRUCTURE OF SPHK1 WITH INHIBITOR
Descriptor:Sphingosine kinase 1, (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol
Authors:Min, X., Walker, N., Wang, Z.
Deposit date:2013-05-30
Release date:2013-07-24
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure guided design of a series of sphingosine kinase (SphK) inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013