Author results

1JSS
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CRYSTAL STRUCTURE OF THE MUS MUSCULUS CHOLESTEROL-REGULATED START PROTEIN 4 (STARD4).
Descriptor:cholesterol-regulated START protein 4
Authors:Romanowski, M.J., Soccio, R.E., Breslow, J.L., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-08-17
Release date:2002-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the Mus musculus cholesterol-regulated START protein 4 (StarD4) containing a StAR-related lipid transfer domain.
Proc.Natl.Acad.Sci.USA, 99, 2002
1JSX
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CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI GLUCOSE-INHIBITED DIVISION PROTEIN B (GIDB)
Descriptor:Glucose-inhibited division protein B
Authors:Romanowski, M.J., Bonanno, J.B., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-08-19
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the Escherichia coli glucose-inhibited division protein B (GidB) reveals a methyltransferase fold.
Proteins, 47, 2002
1JYH
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CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI SBMC PROTEIN (AKA GYRASE INHIBITORY PROTEIN GYRI, AKA YEEB)
Descriptor:DNA Gyrase inhibitory protein
Authors:Romanowski, M.J., Gibney, S.A., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-09-12
Release date:2002-04-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the Escherichia coli SbmC protein that protects cells from the DNA replication inhibitor microcin B17.
Proteins, 47, 2002
1K47
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CRYSTAL STRUCTURE OF THE STREPTOCOCCUS PNEUMONIAE PHOSPHOMEVALONATE KINASE (PMK)
Descriptor:phosphomevalonate kinase
Authors:Romanowski, M.J., Bonanno, J.B., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-10-05
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the Streptococcus pneumoniae phosphomevalonate kinase, a member of the GHMP kinase superfamily.
Proteins, 47, 2002
1KAG
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CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI SHIKIMATE KINASE I (AROK)
Descriptor:Shikimate kinase I
Authors:Romanowski, M.J., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-11-01
Release date:2002-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the Escherichia coli shikimate kinase I (AroK) that confers sensitivity to mecillinam.
Proteins, 47, 2002
1SC1
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CRYSTAL STRUCTURE OF AN ACTIVE-SITE LIGAND-FREE FORM OF THE HUMAN CASPASE-1 C285A MUTANT
Descriptor:Interleukin-1 beta convertase, CHLORIDE ION
Authors:Romanowski, M.J., Scheer, J.M., O'Brien, T., McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2020-02-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1SC3
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CRYSTAL STRUCTURE OF THE HUMAN CASPASE-1 C285A MUTANT IN COMPLEX WITH MALONATE
Descriptor:Interleukin-1 beta convertase, MALONATE ION
Authors:Romanowski, M.J., Scheer, J.M., O'Brien, T., McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1SC4
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CRYSTAL STRUCTURE OF THE HUMAN CASPASE-1 C285A MUTANT AFTER REMOVAL OF MALONATE
Descriptor:Interleukin-1 beta convertase
Authors:Romanowski, M.J., Scheer, J.M., O'Brien, T., McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1RWK
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID
Descriptor:Interleukin-1 beta convertase, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID
Authors:Romanowski, M.J., Lam, J.W., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWM
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
Descriptor:Interleukin-1 beta convertase, 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID
Authors:Romanowski, M.J., Waal, N.D., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWN
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID
Descriptor:Interleukin-1 beta convertase, 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID
Authors:Romanowski, M.J., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWO
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID
Descriptor:Interleukin-1 beta convertase, 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID
Authors:Romanowski, M.J., Waal, N.D., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWP
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID
Descriptor:Interleukin-1 beta convertase, 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
Authors:Romanowski, M.J., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWV
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
Descriptor:Interleukin-1 beta convertase, 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
Authors:Romanowski, M.J., Burdett, M.T., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Caspase-1 Inhibitors Discovered Using Tethering(SM) with Extenders
TO BE PUBLISHED
1RWW
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID
Descriptor:Interleukin-1 beta convertase, 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID
Authors:Romanowski, M.J., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
1RWX
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 IN COMPLEX WITH 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID
Descriptor:Interleukin-1 beta convertase, 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID
Authors:Romanowski, M.J., Fahr, B.T., O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
3DBC
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CRYSTAL STRUCTURE OF AN ACTIVATED (THR->ASP) POLO-LIKE KINASE 1 (PLK1) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 257
Descriptor:Polo-like kinase 1, 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
Authors:Elling, R.A., Zhu, J., Barr, K.J., Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBD
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CRYSTAL STRUCTURE OF AN ACTIVATED (THR->ASP) POLO-LIKE KINASE 1 (PLK1) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 094
Descriptor:Polo-like kinase 1, 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide
Authors:Elling, R.A., Barr, K.J., Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBE
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CRYSTAL STRUCTURE OF AN ACTIVATED (THR->ASP) POLO-LIKE KINASE 1 (PLK1) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 557
Descriptor:Polo-like kinase 1, 3'-chloro-5'-[6-({2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl}amino)-3-methyl-1H-pyrazolo[4,3-c]pyridin-1-yl]biphenyl-2-carboxamide
Authors:Elling, R.A., Barr, K.J., Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3DBF
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CRYSTAL STRUCTURE OF AN ACTIVATED (THR->ASP) POLO-LIKE KINASE 1 (PLK1) CATALYTIC DOMAIN IN COMPLEX WITH COMPOUND 562
Descriptor:Polo-like kinase, 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Authors:Elling, R.A., Zhu, J., Barr, K.J., Romanowski, M.J.
Deposit date:2008-05-31
Release date:2008-10-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
1FI4
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THE X-RAY CRYSTAL STRUCTURE OF MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AT 2.3 ANGSTROM RESOLUTION.
Descriptor:MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE
Authors:Bonanno, J.B., Edo, C., Eswar, N., Pieper, U., Romanowski, M.J., Ilyin, V., Gerchman, S.E., Kycia, H., Studier, F.W., Sali, A., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2000-08-03
Release date:2001-03-21
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
1I9A
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STRUCTURAL STUDIES OF CHOLESTEROL BIOSYNTHESIS: MEVALONATE 5-DIPHOSPHATE DECARBOXYLASE AND ISOPENTENYL DIPHOSPHATE ISOMERASE
Descriptor:ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE, MANGANESE (II) ION
Authors:Bonanno, J.B., Edo, C., Eswar, N., Pieper, U., Romanowski, M.J., Ilyin, V., Gerchman, S.E., Kycia, H., Studier, F.W., Sali, A., Burley, S.K., New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2001-03-18
Release date:2001-03-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural genomics of enzymes involved in sterol/isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 98, 2001
2FQQ
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 (CYS285->ALA, CYS362->ALA, CYS364->ALA, CYS397->ALA) IN COMPLEX WITH 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE
Descriptor:Caspase-1, 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE
Authors:Scheer, J.M., Wells, J.A., Romanowski, M.J.
Deposit date:2006-01-18
Release date:2006-05-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H48
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 (CYS362->ALA, CYS364->ALA, CYS397->ALA) IN COMPLEX WITH 3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (Z-VAD-FMK)
Descriptor:Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M., Wells, J.A., Romanowski, M.J.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H4W
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CRYSTAL STRUCTURE OF HUMAN CASPASE-1 (GLU390->ASP) IN COMPLEX WITH 3-[2-(2-BENZYLOXYCARBONYLAMINO-3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-4-OXO-PENTANOIC ACID (Z-VAD-FMK)
Descriptor:Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M., Wells, J.A., Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
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