Author results

1Q1M
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A HIGHLY EFFICIENT APPROACH TO A SELECTIVE AND CELL ACTIVE PTP1B INHIBITORS
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID
Authors: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.
Deposit date:2003-07-22
Release date:2003-09-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-{[2-(2-CARBAMOYL-VINYL)-4-(2-METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
Authors: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.
Deposit date:2003-03-02
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(7-HYDROXY-NAPHTHALEN-1-YL)-OXALYL-AMINO]-BENZOIC ACID
Authors: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.
Deposit date:2003-03-02
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID
Authors: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.
Deposit date:2003-01-06
Release date:2003-04-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: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
Authors: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.
Deposit date:2003-01-14
Release date:2003-04-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID
Authors: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.
Deposit date:2003-01-15
Release date:2003-04-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1NZ7
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POTENT, SELECTIVE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B USING A SECOND PHOSPHOTYROSINE BINDING SITE, COMPLEXED WITH COMPOUND 19.
Descriptor: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
Authors: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.
Deposit date:2003-02-16
Release date:2003-05-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: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
Authors: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.
Deposit date:2003-09-08
Release date:2003-10-28
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a Monoacid-Based, Cell Permeable, Selective Inhibitor of Protein Tyrosine Phosphatase 1B
BIOORG.MED.CHEM.LETT., 13, 2003
1XBO
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PTP1B COMPLEXED WITH ISOXAZOLE CARBOXYLIC ACID
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 5-(3-{3-[3-HYDROXY-2-(METHOXYCARBONYL)PHENOXY]PROPENYL}PHENYL)-4-(HYDROXYMETHYL)ISOXAZOLE-3-CARBOXYLIC ACID
Authors: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.
Deposit date:2004-08-31
Release date:2004-10-19
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
3GLR
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CRYSTAL STRUCTURE OF HUMAN SIRT3 WITH ACETYL-LYSINE ACECS2 PEPTIDE
Descriptor:NAD-dependent deacetylase sirtuin-3, mitochondrial, Acetyl-coenzyme A synthetase 2-like, ...
Authors:Jin, L., Wei, W., Jiang, Y., Peng, H., Cai, J., Mao, C., Dai, H., Bemis, J.E., Jirousek, M.R., Milne, J.C., Westphal, C.H., Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLS
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CRYSTAL STRUCTURE OF HUMAN SIRT3
Descriptor:NAD-dependent deacetylase sirtuin-3, mitochondrial, ZINC ION, ...
Authors:Jin, L., Wei, W., Jiang, Y., Peng, H., Cai, J., Mao, C., Dai, H., Bemis, J.E., Jirousek, M.R., Milne, J.C., Westphal, C.H., Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLT
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CRYSTAL STRUCTURE OF HUMAN SIRT3 WITH ADPR BOUND TO THE ACECS2 PEPTIDE CONTAINING A THIOACETYL LYSINE
Descriptor:NAD-dependent deacetylase sirtuin-3, mitochondrial, Acetyl-coenzyme A synthetase 2-like, ...
Authors:Jin, L., Wei, W., Jiang, Y., Peng, H., Cai, J., Mao, C., Dai, H., Bemis, J.E., Jirousek, M.R., Milne, J.C., Westphal, C.H., Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
3GLU
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CRYSTAL STRUCTURE OF HUMAN SIRT3 WITH ACECS2 PEPTIDE
Descriptor:NAD-dependent deacetylase sirtuin-3, mitochondrial, Acetyl-coenzyme A synthetase 2-like, ...
Authors:Jin, L., Wei, W., Jiang, Y., Peng, H., Cai, J., Mao, C., Dai, H., Bemis, J.E., Jirousek, M.R., Milne, J.C., Westphal, C.H., Perni, R.B.
Deposit date:2009-03-12
Release date:2009-06-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
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
Descriptor:Protein-tyrosine phosphatase, non-receptor type 1, 2-(4-{2-TERT-BUTOXYCARBONYLAMINO-2-[4-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-PHENOXY)-MALONIC ACID
Authors: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.
Deposit date:2003-07-09
Release date:2003-09-16
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and SAR of novel, potent and selective protein tyrosine phosphatase 1B inhibitors.
Bioorg.Med.Chem.Lett., 13, 2003
1PH0
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NON-CARBOXYLIC ACID-CONTAINING INHIBITOR OF PTP1B TARGETING THE SECOND PHOSPHOTYROSINE SITE
Descriptor: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
Authors:Liu, G., Xin, Z., Liang, H., Abad-Zapatero, C., Hajduk, P., Janowick, D., Szczepankiewicz, B., Pei, Z., Hutchins, C.W., Ballaron, S.J.
Deposit date:2003-05-29
Release date:2003-07-29
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Selective Protein Tyrosine Phosphatase 1B Inhibitors: Targeting the Second Phosphotyrosine Binding Site with Non-Carboxylic Acid-Containing Ligands.
J.Med.Chem., 46, 2003