Author results

1NZ7
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POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, COMPLEXED WITH COMPOUND 19.
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-3-METHYLSULFANYL-PROPYLCARBAMOYL)-BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-PHENYL)-OXALYL-AMINO]-BENZOIC ACID
著者Xin, Z., Oost, T.K., Abad-Zapatero, C., Hajduk, P.J., Pei, Z., Szczepankiewicz, B.G., Hutchins, C.W., Ballaron, S.J., Stashko, M.A., Lubben, T., Trevillyan, J.M., Jirousek, M.R., Liu, G.
登録日2003-02-16
公開日2003-05-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Potent, Selective Inhibitors of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1QXK
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MONOACID-BASED, CELL PERMEABLE, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
著者Xin, Z., Liu, G., Abad-Zapatero, C., Pei, Z., Szczepankiewick, B.G., Li, X., Zhang, T., Hutchins, C.W., Hajduk, P.J., Ballaron, S.J., Stashko, M.A., Lubben, T.H., Trevillyan, J.M., Jirousek, M.R.
登録日2003-09-08
公開日2003-10-28
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of a Monoacid-Based, Cell Permeable, Selective Inhibitor of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1Q1M
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A HIGHLY EFFICIENT APPROACH TO A SELECTIVE AND CELL ACTIVE PTP1B INHIBITORS
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
著者Liu, G., Xin, Z., Pei, Z., Hajduk, P.J., Abad-Zapatero, C., Hutchins, C.W., Zhao, H., Lubben, T.H., Ballaron, S.J., Haasch, D.L., Kaszubska, W., Rondinone, C.M., Trevillyan, J.M., Jirousek, M.R.
登録日2003-07-22
公開日2003-09-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor.
J.Med.Chem., 46, 2003
1ONY
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OXALYL-ARYL-AMINO BENZOIC ACID INHIBITORS OF PTP1B, COMPOUND 17
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
著者Liu, G., Szczepankiewicz, B.G., Pei, Z., Janowich, D.A., Xin, Z., Hadjuk, P.J., Abad-Zapatero, C., Liang, H., Hutchins, C.W., Fesik, S.W., Ballaron, S.J., Stashko, M.A., Lubben, T., Mika, A.K., Zinker, B.A., Trevillyan, J.M., Jirousek, M.R.
登録日2003-03-02
公開日2003-05-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1ONZ
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OXALYL-ARYL-AMINO BENZOIC ACID INHIBITORS OF PTP1B, COMPOUND 8B
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID
著者Liu, G., Szczepankiewicz, B.G., Pei, Z., Janowich, D.A., Xin, Z., Hadjuk, P.J., Abad-Zapatero, C., Liang, H., Hutchins, C.W., Fesik, S.W., Ballaron, S.J., Stashko, M.A., Lubben, T., Mika, A.K., Zinker, B.A., Trevillyan, J.M., Jirousek, M.R.
登録日2003-03-02
公開日2003-05-20
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Structure-Activity Relationship of Oxalylarylaminobenzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B
J.Med.Chem., 46, 2003
1NL9
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POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR COMPOUND 12 USING A LINKED-FRAGMENT STRATEGY
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID
著者Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
登録日2003-01-06
公開日2003-04-08
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NNY
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POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR COMPOUND 23 USING A LINKED-FRAGMENT STRATEGY
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
著者Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
登録日2003-01-14
公開日2003-04-08
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NO6
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POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR COMPOUND 5 USING A LINKED-FRAGMENT STRATEGY
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID
著者Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Pei, Z., Xin, Z., Lubben, T., Trevillyan, J.M., Stashko, M.A., Ballaron, S.J., Liang, H., Huang, F., Hutchins, C.W., Fesik, S.W., Jirousek, M.R.
登録日2003-01-15
公開日2003-04-08
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1PH0
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NON-CARBOXYLIC ACID-CONTAINING INHIBITOR OF PTP1B TARGETING THE SECOND PHOSPHOTYROSINE SITE
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
著者Liu, G., Xin, Z., Liang, H., Abad-Zapatero, C., Hajduk, P., Janowick, D., Szczepankiewicz, B., Pei, Z., Hutchins, C.W., Ballaron, S.J.
登録日2003-05-29
公開日2003-07-29
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.
J.Med.Chem., 46, 2003
1XBO
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PTP1B COMPLEXED WITH ISOXAZOLE CARBOXYLIC ACID
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
著者Zhao, H., Liu, G., Xin, Z., Serby, M., Pei, Z., Szczepankiewicz, B.G., Hajduk, P.J., Abad-Zapatero, C., Hutchins, C.W., Lubben, T.H., Ballaron, S.J., Hassach, D.L., Kaszubska, W., Rondinone, C.M., Trevillyan, J.M., Jirousek, M.R.
登録日2004-08-31
公開日2004-10-19
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
2H40
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CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF UNLIGANDED PDE5
分子名称:cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION
著者Wang, H., Liu, Y., Huai, Q., Cai, J., Zoraghi, R., Francis, S.H., Corbin, J.D., Robinson, H., Xin, Z., Lin, G., Ke, H.
登録日2006-05-23
公開日2006-06-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
1PYN
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DUAL-SITE POTENT, SELECTIVE PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR USING A LINKED FRAGMENT STRATEGY AND A MALONATE HEAD ON THE FIRST SITE
分子名称:Protein-tyrosine phosphatase, non-receptor type 1, 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID
著者Szczepankiewicz, B.G., Liu, G., Hajduk, P.J., Abad-Zapatero, C., Zhonghua, P., Lubben, T., Trevillyan, J.M., Stashko, M., Ballaron, S.J., Liang, H.
登録日2003-07-09
公開日2003-09-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003
2H96
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DISCOVERY OF POTENT, HIGHLY SELECTIVE, AND ORALLY BIOAVAILABLE PYRIDINE CARBOXAMIDE C-JUN NH2-TERMINAL KINASE INHIBITORS
分子名称:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-06-09
公開日2006-07-25
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
2GMX
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SELECTIVE AMINOPYRIDINE-BASED C-JUN N-TERMINAL KINASE INHIBITORS WITH CELLULAR ACTIVITY
分子名称:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-04-07
公開日2006-06-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Aminopyridine-Based c-Jun N-Terminal Kinase Inhibitors with Cellular Activity and Minimal Cross-Kinase Activity.
J.Med.Chem., 49, 2006
2NO3
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NOVEL 4-ANILINOPYRIMIDINES AS POTENT JNK1 INHIBITORS
分子名称:Mitogen-activated protein kinase 8, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-10-24
公開日2007-04-17
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Discovery of a new class of 4-anilinopyrimidines as potent c-Jun N-terminal kinase inhibitors: Synthesis and SAR studies.
Bioorg.Med.Chem.Lett., 17, 2007
2G01
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PYRAZOLOQUINOLONES AS NOVEL, SELECTIVE JNK1 INHIBITORS
分子名称:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
著者Abad-Zapatero, C.
登録日2006-02-10
公開日2006-04-18
最終更新日2018-03-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2H42
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CRYSTAL STRUCTURE OF PDE5 IN COMPLEX WITH SILDENAFIL
分子名称:cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ...
著者Wang, H., Ke, H.
登録日2006-05-23
公開日2006-06-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
2H44
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CRYSTAL STRUCTURE OF PDE5A1 IN COMPLEX WITH ICARISID II
分子名称:cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ...
著者Wang, H., Ke, H.
登録日2006-05-23
公開日2006-06-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Multiple Conformations of Phosphodiesterase-5: Implications for enzyme function and drug development
J.Biol.Chem., 281, 2006
3NEW
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P38-ALPHA COMPLEXED WITH COMPOUND 10
分子名称:Mitogen-activated protein kinase 14, 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
著者Goedken, E.R., Comess, K.M., Sun, C., Argiriadi, M., Jia, Y., Quinn, C.M., Banach, D.L., Marcotte, D., Borhani, D.
登録日2010-06-09
公開日2010-12-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
3O17
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CRYSTAL STRUCTURE OF JNK1-ALPHA1 ISOFORM
分子名称:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, JIP1, ...
著者Abad-Zapatero, C.
登録日2010-07-20
公開日2011-01-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of JNK1-alpha1 isoform
TO BE PUBLISHED
3O2M
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CRYSTAL STRUCTURE OF JNK1-ALPHA1 ISOFORM COMPLEX WITH A BIARYL TETRAZOL (A-82118)
分子名称:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, JIP1, ...
著者Abad-Zapatero, C.
登録日2010-07-22
公開日2011-01-12
最終更新日2011-09-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
5J5T
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GLK CO-CRYSTAL STRUCTURE WITH AMINOPYRROLOPYRIMIDINE INHIBITOR
分子名称:Mitogen-activated protein kinase kinase kinase kinase 3, 5-[2-(piperidin-4-yl)-1,3-thiazol-5-yl]-3-[(pyridin-4-yl)methoxy]pyridin-2-amine
著者Silvian, L.F., Marcotte, D.
登録日2016-04-03
公開日2016-10-26
最終更新日2017-02-08
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Germinal-center kinase-like kinase co-crystal structure reveals a swapped activation loop and C-terminal extension.
Protein Sci., 26, 2017