Author results

1ZAP
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SECRETED ASPARTIC PROTEASE FROM C. ALBICANS
Descriptor:SECRETED ASPARTIC PROTEINASE, ZINC ION, N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-L-norleucinamide
Authors:Abad-Zapatero, C., Muchmore, S.W.
Deposit date:1996-01-16
Release date:1997-04-21
Last modified:2012-01-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents.
Protein Sci., 5, 1996
3PEP
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REVISED 2.3 ANGSTROMS STRUCTURE OF PORCINE PEPSIN. EVIDENCE FOR A FLEXIBLE SUBDOMAIN
Descriptor:PEPSIN, ETHANOL
Authors:Abad-Zapatero, C., Erickson, J.W.
Deposit date:1989-10-24
Release date:1990-04-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Revised 2.3 A structure of porcine pepsin: evidence for a flexible subdomain
Proteins, 8, 1990
6LDH
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REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor:M4 APO-LACTATE DEHYDROGENASE, SULFATE ION
Authors:Abad-Zapatero, C., Rossmann, M.G.
Deposit date:1987-11-25
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
8LDH
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REFINED CRYSTAL STRUCTURE OF DOGFISH M4 APO-LACTATE DEHYDROGENASE
Descriptor:M4 APO-LACTATE DEHYDROGENASE, CITRIC ACID
Authors:Abad-Zapatero, C., Rossmann, M.G.
Deposit date:1988-01-04
Release date:1989-07-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Refined crystal structure of dogfish M4 apo-lactate dehydrogenase.
J.Mol.Biol., 198, 1987
2H96
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DISCOVERY OF POTENT, HIGHLY SELECTIVE, AND ORALLY BIOAVAILABLE PYRIDINE CARBOXAMIDE C-JUN NH2-TERMINAL KINASE INHIBITORS
Descriptor:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-06-09
Release date:2006-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
2FHY
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STRUCTURE OF HUMAN LIVER FPBASE COMPLEXED WITH A NOVEL BENZOXAZOLE AS ALLOSTERIC INHIBITOR
Descriptor:Fructose-1,6-bisphosphatase 1, MAGNESIUM ION, 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
2FIE
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STRUCTURE OF HUMAN LIVER FBPASE COMPLEXED WITH POTENT BENZOXAZOLE ALLOSTERIC INHIBITORS
Descriptor:Fructose-1,6-bisphosphatase 1, 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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STRUCTURE OF HUMAN LIVER FBPASE COMPLEXED WITH POTENT BENZOXAZOLE ALLOSTERIC INHIBITIORS
Descriptor:Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2GMX
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SELECTIVE AMINOPYRIDINE-BASED C-JUN N-TERMINAL KINASE INHIBITORS WITH CELLULAR ACTIVITY
Descriptor:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-04-07
Release date:2006-06-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
Descriptor:Mitogen-activated protein kinase 8, C-JUN-AMINO-TERMINAL KINASE-INTERACTING protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-10-24
Release date:2007-04-17
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite: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
3O17
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CRYSTAL STRUCTURE OF JNK1-ALPHA1 ISOFORM
Descriptor:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, JIP1, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-20
Release date:2011-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite: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)
Descriptor:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, JIP1, ...
Authors:Abad-Zapatero, C.
Deposit date:2010-07-22
Release date:2011-01-12
Last modified:2011-09-14
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases.
Acs Chem.Biol., 6, 2011
2G01
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PYRAZOLOQUINOLONES AS NOVEL, SELECTIVE JNK1 INHIBITORS
Descriptor:Mitogen-activated protein kinase 8, C-jun-amino-terminal kinase-interacting protein 1, SULFATE ION, ...
Authors:Abad-Zapatero, C.
Deposit date:2006-02-10
Release date:2006-04-18
Last modified:2018-03-14
Method:X-RAY DIFFRACTION (3.5 Å)
Cite: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
6AYU
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CRYSTAL STRUCTURE OF FRUCTOSE-1,6-BISPHOSPHATASE T84S FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Fructose-1,6-bisphosphatase class 2, FRUCTOSE-6-PHOSPHATE, MAGNESIUM ION, ...
Authors:Abad-Zapatero, C., Wolf, N., Gutka, H.J., Movahedzadeh, F.
Deposit date:2017-09-08
Release date:2018-03-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition.
Acta Crystallogr D Struct Biol, 74, 2018
6AYV
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CRYSTAL STRUCTURE OF FRUCTOSE-1,6-BISPHOSPHATASE T84A FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Fructose-1,6-bisphosphatase class 2, FRUCTOSE-6-PHOSPHATE, MAGNESIUM ION, ...
Authors:Abad-Zapatero, C., Wolf, N., Gutka, H.J., Movahedzadeh, F.
Deposit date:2017-09-08
Release date:2018-03-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition.
Acta Crystallogr D Struct Biol, 74, 2018
6AYY
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CRYSTAL STRUCTURE OF APO FRUCTOSE-1,6-BISPHOSPHATASE FROM MYCOBACTERIUM TUBERCULOSIS
Descriptor:Fructose-1,6-bisphosphatase class 2, GLYCEROL, UNKNOWN ATOM OR ION, ...
Authors:Abad-Zapatero, C., Wolf, N., Gutka, H.J., Movahedzadeh, F.
Deposit date:2017-09-08
Release date:2018-03-14
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Structures of the Mycobacterium tuberculosis GlpX protein (class II fructose-1,6-bisphosphatase): implications for the active oligomeric state, catalytic mechanism and citrate inhibition.
Acta Crystallogr D Struct Biol, 74, 2018
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
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
1AJA
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THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor:ALKALINE PHOSPHATASE
Authors:Dealwis, C.G., Chen, L., Abad-Zapatero, C.
Deposit date:1995-08-19
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJB
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THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor:ALKALINE PHOSPHATASE, ZINC ION, MAGNESIUM ION, ...
Authors:Dealwis, C.G., Chen, L., Abad-Zapatero, C.
Deposit date:1995-08-19
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3-D structure of the D153G mutant of Escherichia coli alkaline phosphatase: an enzyme with weaker magnesium binding and increased catalytic activity.
Protein Eng., 8, 1995
1AJC
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THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor:ALKALINE PHOSPHATASE, ZINC ION, MAGNESIUM ION
Authors:Dealwis, C.G., Chen, L., Abad-Zapatero, C.
Deposit date:1995-07-18
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
1AJD
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THREE-DIMENSIONAL STRUCTURE OF THE D153G MUTANT OF E. COLI ALKALINE PHOSPHATASE: A MUTANT WITH WEAKER MAGNESIUM BINDING AND INCREASED CATALYTIC ACTIVITY
Descriptor:ALKALINE PHOSPHATASE INTERMEDIATE II OF HOLO ENZYME, ZINC ION, MAGNESIUM ION
Authors:Dealwis, C.G., Chen, L., Abad-Zapatero, C.
Deposit date:1995-08-18
Release date:1995-11-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic analysis of reversible metal binding observed in a mutant (Asp153-->Gly) of Escherichia coli alkaline phosphatase.
Biochemistry, 34, 1995
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
1PSA
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STRUCTURE OF A PEPSIN(SLASH)RENIN INHIBITOR COMPLEX REVEALS A NOVEL CRYSTAL PACKING INDUCED BY MINOR CHEMICAL ALTERATIONS IN THE INHIBITOR
Descriptor:PEPSIN A, N-(ethoxycarbonyl)-L-leucyl-N-[(1R,2S,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylhexyl]-L-leucinamide
Authors:Chen, L., Abad-Zapatero, C.
Deposit date:1991-10-22
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a pepsin/renin inhibitor complex reveals a novel crystal packing induced by minor chemical alterations in the inhibitor.
Acta Crystallogr.,Sect.B, 48, 1992
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