Author results

1CGE
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CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF
Descriptor:FIBROBLAST COLLAGENASE, ZINC ION, CALCIUM ION
Authors:Lovejoy, B., Hassell, A.M., Luther, M.A., Weigl, D., Jordan, S.R.
Deposit date:1994-02-03
Release date:1995-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Biochemistry, 33, 1994
1CGF
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CRYSTAL STRUCTURES OF RECOMBINANT 19-KDA HUMAN FIBROBLAST COLLAGENASE COMPLEXED TO ITSELF
Descriptor:FIBROBLAST COLLAGENASE, ZINC ION, CALCIUM ION
Authors:Lovejoy, B., Hassell, A.M., Luther, M.A., Weigl, D., Jordan, S.R.
Deposit date:1994-02-03
Release date:1995-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of recombinant 19-kDa human fibroblast collagenase complexed to itself.
Biochemistry, 33, 1994
1CGL
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STRUCTURE OF THE CATALYTIC DOMAIN OF FIBROBLAST COLLAGENASE COMPLEXED WITH AN INHIBITOR
Descriptor:FIBROBLAST COLLAGENASE, ZINC ION, CALCIUM ION, ...
Authors:Lovejoy, B., Cleasby, A., Hassell, A.M., Longley, K., Luther, M.A., Weigl, D., Mcgeehan, G., Mcelroy, A.B., Drewry, D., Lambert, M.H., Jordan, S.R.
Deposit date:1993-11-17
Release date:1995-02-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of the catalytic domain of fibroblast collagenase complexed with an inhibitor.
Science, 263, 1994
1DQW
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CRYSTAL STRUCTURE OF OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Descriptor:OROTIDINE 5'-PHOSPHATE DECARBOXYLASE
Authors:Milburn, M.V., Miller, B.G., Hassell, A.M., Wolfenden, R., Short, S.A.
Deposit date:2000-01-05
Release date:2000-03-20
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Anatomy of a proficient enzyme: the structure of orotidine 5'-monophosphate decarboxylase in the presence and absence of a potential transition state analog.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DQX
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CRYSTAL STRUCTURE OF OROTIDINE 5'-PHOSPHATE DECARBOXYLASE COMPLEXED TO 6-HYDROXYURIDINE 5'-PHOSPHATE (BMP)
Descriptor:OROTIDINE 5'-PHOSPHATE DECARBOXYLASE, 6-HYDROXYURIDINE-5'-PHOSPHATE
Authors:Milburn, M.V., Miller, B.G., Hassell, A.M., Wolfenden, R., Short, S.A.
Deposit date:2000-01-05
Release date:2000-03-20
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Anatomy of a proficient enzyme: the structure of orotidine 5'-monophosphate decarboxylase in the presence and absence of a potential transition state analog.
Proc.Natl.Acad.Sci.USA, 97, 2000
1F0J
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B
Descriptor:PHOSPHODIESTERASE 4B, ZINC ION, MAGNESIUM ION, ...
Authors:Xu, R.X., Hassell, A.M., Vanderwall, D., Lambert, M.H., Holmes, W.D., Luther, M.A., Rocque, W.J., Milburn, M.V., Zhao, Y., Ke, H., Nolte, R.T.
Deposit date:2000-05-16
Release date:2000-07-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Atomic structure of PDE4: insights into phosphodiesterase mechanism and specificity.
Science, 288, 2000
1FVR
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TIE2 KINASE DOMAIN
Descriptor:TYROSINE-PROTEIN KINASE TIE-2
Authors:Shewchuk, L.M., Hassell, A.M., Ellis, B., Holmes, W.D., Davis, R., Horne, E.L., Kadwell, S.H., McKee, D.D., Moore, J.T.
Deposit date:2000-09-20
Release date:2001-09-20
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the Tie2 RTK domain: self-inhibition by the nucleotide binding loop, activation loop, and C-terminal tail.
Structure Fold.Des., 8, 2000
1FVT
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THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-(5-BROMO-2-OXO-2H-INDOL-3-YLAZO)-BENZENESULFONAMIDE
Authors:Davis, S.T., Benson, B.G., Bramson, H.N., Chapman, D.E., Dickerson, S.H., Dold, K.M., Eberwein, D.J., Edelstein, M., Frye, S.V., Gampe Jr., R.T., Griffin, R.J., Harris, P.A., Hassell, A.M., Holmes, W.D., Hunter, R.N., Knick, V.B., Lackey, K., Lovejoy, B., Luzzio, M.J., Murray, D., Parker, P., Rocque, W.J., Shewchuk, L., Veal, J.M., Walker, D.H., Kuyper, L.K.
Deposit date:2000-09-20
Release date:2001-01-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
1FVV
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THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR
Descriptor:CYCLIN-DEPENDENT KINASE 2, CYCLIN A, 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE
Authors:Davis, S.T., Benson, B.G., Bramson, H.N., Chapman, D.E., Dickerson, S.H., Dold, K.M., Eberwein, D.J., Edelstein, M., Frye, S.V., Gampe Jr., R.T., Griffin, R.J., Harris, P.A., Hassell, A.M., Holmes, W.D., Hunter, R.N., Knick, V.B., Lackey, K., Lovejoy, B., Luzzio, M.J., Murray, D., Parker, P., Rocque, W.J., Shewchuk, L., Veal, J.M., Walker, D.H., Kuyper, L.K.
Deposit date:2000-09-20
Release date:2001-01-17
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors.
Science, 291, 2001
1PDU
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LIGAND-BINDING DOMAIN OF DROSOPHILA ORPHAN NUCLEAR RECEPTOR DHR38
Descriptor:nuclear hormone receptor HR38
Authors:Baker, K.D., Shewchuk, L.M., Korlova, T., Makishima, M., Hassell, A.M., Wisely, B., Caravella, J.A., Lambert, M.H., Wilson, T.M., Mangelsdorf, D.J.
Deposit date:2003-05-20
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway.
Cell(Cambridge,Mass.), 113, 2003
1Q6K
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CATHEPSIN K COMPLEXED WITH T-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
Descriptor:Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
Authors:Catalano, J.G., Deaton, D.N., Furfine, E.S., Hassell, A.M., McFadyen, R.B., Miller, A.B., Miller, L.R., Shewchuk, L.M., Willard, D.H., Wright, L.L.
Deposit date:2003-08-13
Release date:2004-03-16
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploration of the P1 SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1SNK
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CATHEPSIN K COMPLEXED WITH CARBAMATE DERIVATIZED NORLEUCINE ALDEHYDE
Descriptor:Cathepsin K, SULFATE ION, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE
Authors:Boros, E.E., Deaton, D.N., Hassell, A.M., McFadyen, R.B., Miller, A.B., Miller, L.R., Shewchuk, L.M., Thompson, J.B., Willard Jr., D.H., Wright, L.L.
Deposit date:2004-03-11
Release date:2004-06-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Exploration of the P(2)-P(3) SAR of aldehyde cathepsin K inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1TU6
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CATHEPSIN K COMPLEXED WITH A KETOAMIDE INHIBITOR
Descriptor:Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
Authors:Barrett, D.G., Catalano, J.G., Deaton, D.N., Hassell, A.M., Long, S.T., Miller, A.B., Miller, L.R., Shewchuk, L.M., Wells-Knecht, K.J., Wright, L.L.
Deposit date:2004-06-24
Release date:2004-09-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with improved pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions
BIOORG.MED.CHEM.LETT., 14, 2004
1YK7
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CATHEPSIN K COMPLEXED WITH A CYANOPYRROLIDINE INHIBITOR
Descriptor:Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
Authors:Barrett, D.G., Deaton, D.N., Hassell, A.M., McFadyen, R.B., Miller, A.B., Miller, L.R., Shewchuk, L.M., Tavares, F.X., Willard, D.H., Wright, L.L.
Deposit date:2005-01-17
Release date:2005-03-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Novel and potent cyclic cyanamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
1YK8
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CATHEPSIN K COMPLEXED WITH A CYANAMIDE-BASED INHIBITOR
Descriptor:Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
Authors:Barrett, D.G., Deaton, D.N., Hassell, A.M., McFadyen, R.B., Miller, A.B., Miller, L.R., Payne, J.A., Shewchuk, L.M., Willard, D.H., Wright, L.L.
Deposit date:2005-01-17
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Acyclic cyanamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
1YT7
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CATHEPSIN K COMPLEXED WITH A CONSTRAINED KETOAMIDE INHIBITOR
Descriptor:Cathepsin K, SULFATE ION, (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE
Authors:Barrett, D.G., Boncek, V.M., Catalano, J.G., Deaton, D.N., Hassell, A.M., Jurgensen, C.H., Long, S.T., McFadyen, R.B., Miller, A.B., Miller, L.R., Payne, J.A., Ray, J.A., Samano, V., Shewchuk, L.M., Tavares, F.X., Wells-Knecht, K.J., Willard, D.H., Wright, L.L., Zhou, H.Q.
Deposit date:2005-02-10
Release date:2005-07-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K.
Bioorg.Med.Chem.Lett., 15, 2005
2AUX
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CATHEPSIN K COMPLEXED WITH A SEMICARBAZONE INHIBITOR
Descriptor:Cathepsin K, (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE
Authors:Adkison, K.K., Barrett, D.G., Deaton, D.N., Gampe, R.T., Hassell, A.M., Long, S.T., McFadyen, R.B., Miller, A.B., Miller, L.R., Shewchuk, L.M.
Deposit date:2005-08-29
Release date:2006-08-08
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
2AUZ
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CATHEPSIN K COMPLEXED WITH A SEMICARBAZONE INHIBITOR
Descriptor:Cathepsin K, SULFATE ION, 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE
Authors:Adkison, K.K., Barrett, D.G., Deaton, D.N., Gampe, R.T., Hassell, A.M., Long, S.T., McFadyen, R.B., Miller, A.B., Miller, L.R., Shewchuk, L.M.
Deposit date:2005-08-29
Release date:2006-08-08
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
3CLD
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LIGAND BINDING DOMAIN OF THE GLUCOCORTICOID RECEPTOR COMPLEXED WITH FLUTICAZONE FUROATE
Descriptor:Glucocorticoid receptor, Tif2 coactivator motif, (6alpha,11alpha,14beta,16alpha,17alpha)-6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl furan-2-carboxylate
Authors:Shewchuk, L.M., McLay, I., Stewart, E., Biggadike, K.B., Hassell, A.M., Bledsoe, R.K.
Deposit date:2008-03-18
Release date:2008-06-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domain.
J.Med.Chem., 51, 2008
1KE5
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CDK2 COMPLEXED WITH N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Descriptor:Cell division protein kinase 2, N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.M., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
1KE8
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Descriptor:CELL DIVISION PROTEIN KINASE 2, 4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.M., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
1KE9
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CYCLIN-DEPENDENT KINASE 2 (CDK2) COMPLEXED WITH 3-{[4-({[AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Descriptor:Cell division protein kinase 2, 3-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-2-OXO-2,3-DIHYDRO-1H-INDOLE
Authors:Bramson, H.N., Corona, J., Davis, S.T., Dickerson, S.H., Edelstein, M., Frye, S.V., Gampe, R.T., Hassell, A.M., Shewchuk, L.M., Kuyper, L.F.
Deposit date:2001-11-14
Release date:2002-05-14
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Oxindole-based inhibitors of cyclin-dependent kinase 2 (CDK2): design, synthesis, enzymatic activities, and X-ray crystallographic analysis.
J.Med.Chem., 44, 2001
3EID
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CDK2/CYCLINA COMPLEXED WITH A PYRAZOLOPYRIDAZINE INHIBITOR
Descriptor:Cell division protein kinase 2, Cyclin-A2, (2S)-1-(dimethylamino)-3-(4-{[4-(6-morpholin-4-ylpyrazolo[1,5-b]pyridazin-3-yl)pyrimidin-2-yl]amino}phenoxy)propan-2-ol
Authors:Steven, K., Reno, M., Alberti, J., Price, D., Kane-Carson, L., Knick, V., Shewchuk, L., Hassell, A., Veal, J., Peel, M.
Deposit date:2008-09-15
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3EJ1
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CDK2/CYCLINA COMPLEXED WITH A PYRAZOLOPYRIDAZINE INHIBITOR
Descriptor:Cell division protein kinase 2, Cyclin-A2, N-cyclopropyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Authors:Stevens, K., Reno, M., Alberti, J., Price, D., Kane-Carson, L., Knick, V., Shewchuk, L., Hassell, A., Veal, J., Peel, M.
Deposit date:2008-09-17
Release date:2008-10-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3ETA
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KINASE DOMAIN OF INSULIN RECEPTOR COMPLEXED WITH A PYRROLO PYRIDINE INHIBITOR
Descriptor:insulin receptor, kinase domain, 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea
Authors:Patnaik, S., Stevens, K., Gerding, R., Deanda, F., Shotwell, B., Tang, J., Hamajima, T., Nakamura, H., Leesnitzer, A., Hassell, A., Shewchuk, L., Kumar, R., Lei, H., Chamberlain, S.
Deposit date:2008-10-07
Release date:2009-05-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
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