Author results

2XCF
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, ZINC ION, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-22
公開日2010-06-02
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XCN
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CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR
分子名称:NS3 PROTEASE, NS4A, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Li, Q., Zhou, Y., Plattner, J.J., Baker, S.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., White, G.V., Mordaunt, J.E., Lazarides, L.X., Slater, M.J., Jarvest, R.L., Thommes, P., Ellis, M., Edge, C.M., Hubbard, J.A., Nassau, P., McDowell, B., Skarzynski, T.J., Rowland, P., Somers, D.O., Kazmierski, W.M., Grimes, R.M., Wright, L.L., Smith, G.K., Zou, W., Wright, J., Pennicott, L.E.
登録日2010-04-23
公開日2010-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
2XNI
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PROTEIN-LIGAND COMPLEX OF A NOVEL MACROCYCLIC HCV NS3 PROTEASE INHIBITOR DERIVED FROM AMINO CYCLIC BORONATES
分子名称:NS3 PROTEASE, NS4A COFACTOR, (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), ...
著者Li, X., Zhang, Y.-K., Liu, Y., Ding, C.Z., Zhou, Y., Li, Q., Plattner, J.J., Baker, S.J., Zhang, S., Kazmierski, W.M., Wright, L.L., Smith, G.K., Grimes, R.M., Crosby, R.M., Creech, K.L., Carballo, L.H., Slater, M.J., Jarvest, R.L., Thommes, P., Hubbard, J.A., Convery, M.A., Nassau, P.M., McDowell, W., Skarzynski, T.J., Qian, X., Fan, D., Liao, L., Ni, Z.-J., Pennicott, L.E., Zou, W., Wright, J.
登録日2010-08-02
公開日2011-08-17
最終更新日2012-09-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates.
Bioorg.Med.Chem.Lett., 20, 2010
1Q6K
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CATHEPSIN K COMPLEXED WITH T-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
分子名称:Cathepsin K, SULFATE ION, TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE
著者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.
登録日2003-08-13
公開日2004-03-16
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
分子名称:Cathepsin K, SULFATE ION, N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)-N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE
著者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.
登録日2004-03-11
公開日2004-06-22
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称:Cathepsin K, SULFATE ION, [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
著者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.
登録日2004-06-24
公開日2004-09-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称:Cathepsin K, N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
著者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.
登録日2005-01-17
公開日2005-03-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
分子名称:Cathepsin K, TERT-BUTYL 2-CYANO-2-METHYLHYDRAZINECARBOXYLATE
著者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.
登録日2005-01-17
公開日2005-07-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献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
分子名称: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
著者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.
登録日2005-02-10
公開日2005-07-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称:Cathepsin K, (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE
著者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.
登録日2005-08-29
公開日2006-08-08
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
分子名称:Cathepsin K, SULFATE ION, 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE
著者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.
登録日2005-08-29
公開日2006-08-08
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?
Bioorg.Med.Chem.Lett., 16, 2006
2BDL
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CATHEPSIN K COMPLEXED WITH A PYRROLIDINE KETOAMIDE-BASED INHIBITOR
分子名称:Cathepsin K, (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE
著者Shewchuk, L.M.
登録日2005-10-20
公開日2006-03-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006