Author results

1AS4
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CLEAVED ANTICHYMOTRYPSIN A349R
Descriptor:ANTICHYMOTRYPSIN, ACETATE ION
Authors:Lukacs, C.M., Christianson, D.W.
Deposit date:1997-08-12
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
3CAA
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CLEAVED ANTICHYMOTRYPSIN A347R
Descriptor:ANTICHYMOTRYPSIN
Authors:Lukacs, C.M., Christianson, D.W.
Deposit date:1997-08-18
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
4CAA
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CLEAVED ANTICHYMOTRYPSIN T345R
Descriptor:ANTICHYMOTRYPSIN
Authors:Lukacs, C.M., Christianson, D.W.
Deposit date:1997-08-14
Release date:1998-02-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
1Z8D
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CRYSTAL STRUCTURE OF HUMAN MUSCLE GLYCOGEN PHOSPHORYLASE A WITH AMP AND GLUCOSE
Descriptor:Glycogen phosphorylase, muscle form, ALPHA-D-GLUCOSE, ...
Authors:Lukacs, C.M., Oikonomakos, N.G., Crowther, R.L., Hong, L.N., Kammlott, R.U., Levin, W., Li, S., Liu, C.M., Lucas-McGady, D., Pietranico, S., Reik, L.
Deposit date:2005-03-30
Release date:2006-03-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The crystal structure of human muscle glycogen phosphorylase a with bound glucose and AMP: An intermediate conformation with T-state and R-state features.
Proteins, 63, 2006
1D2I
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CRYSTAL STRUCTURE OF RESTRICTION ENDONUCLEASE BGLII COMPLEXED WITH DNA 16-MER
Descriptor:DNA (5'-D(*TP*AP*TP*TP*AP*TP*AP*GP*AP*TP*CP*TP*AP*TP*AP*A)-3'), PROTEIN (RESTRICTION ENDONUCLEASE BGLII), MAGNESIUM ION
Authors:Lukacs, C.M., Kucera, R., Schildkraut, I., Aggarwal, A.K.
Deposit date:1999-09-23
Release date:2000-02-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Understanding the immutability of restriction enzymes: crystal structure of BglII and its DNA substrate at 1.5 A resolution.
Nat.Struct.Biol., 7, 2000
1DFM
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CRYSTAL STRUCTURE OF RESTRICTION ENDONUCLEASE BGLII COMPLEXED WITH DNA 16-MER
Descriptor:DNA (5'-D(*TP*AP*TP*TP*AP*TP*AP*GP*AP*TP*CP*TP*AP*TP*AP*A)-3'), ENDONUCLEASE BGLII, CALCIUM ION
Authors:Lukacs, C.M., Kucera, R., Schildkraut, I., Aggarwal, A.K.
Deposit date:1999-12-06
Release date:2000-02-21
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Understanding the immutability of restriction enzymes: crystal structure of BglII and its DNA substrate at 1.5 A resolution.
Nat.Struct.Biol., 7, 2000
1ES8
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CRYSTAL STRUCTURE OF FREE BGLII
Descriptor:RESTRICTION ENDONUCLEASE BGLII, ACETIC ACID
Authors:Lukacs, C.M., Aggarwal, A.K.
Deposit date:2000-04-07
Release date:2001-01-17
Last modified:2012-05-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of free BglII reveals an unprecedented scissor-like motion for opening an endonuclease.
Nat.Struct.Biol., 8, 2001
4PN3
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CRYSTAL STRUCTURE OF 3-HYDROXYACYL-COA-DEHYDROGENASE FROM BRUCELLA MELITENSIS
Descriptor:3-hydroxyacyl-CoA dehydrogenase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Lukacs, C.M., Abendroth, J., Edwards, T.E., Lorimer, D., Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-05-22
Release date:2014-06-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of 3-hydroxyacyl-CoA-dehydrogenase from Brucella melitensis
To Be Published
4WJB
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X-RAY CRYSTAL STRUCTURE OF A PUTATIVE AMIDOHYDROLASE/PEPTIDASE FROM BURKHOLDERIA CENOCEPACIA
Descriptor:Putative amidohydrolase/peptidase, ZINC ION, SULFATE ION, ...
Authors:Lukacs, C.M., Dranow, D.M., Edwards, T.E., Lorimer, D., Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-09-29
Release date:2014-10-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia
To Be Published
4E73
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CRYSTAL STRUCTURE OF JNK1BETA-JIP IN COMPLEX WITH AN AZAQUINOLONE INHBITOR
Descriptor:Mitogen-activated protein kinase 8, C-Jun-amino-terminal kinase-interacting protein 1, methyl 3-(4-{[(1R,2S,3S,5S,7s)-5-aminotricyclo[3.3.1.1~3,7~]dec-2-yl]carbamoyl}benzyl)-4-oxo-1-phenyl-1,4-dihydro-1,8-naphthyridine-2-carboxylate
Authors:Lukacs, C.M., Janson, C.A.
Deposit date:2012-03-16
Release date:2013-05-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor.
ACS Med Chem Lett, 3, 2012
4KJU
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CRYSTAL STRUCTURE OF XIAP-BIR2 WITH A BOUND BENZODIAZEPINONE INHIBITOR.
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide
Authors:Lukacs, C.M., Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4KJV
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CRYSTAL STRUCTURE OF XIAP-BIR2 WITH A BOUND SPIROCYCLIC BENZOXAZEPINONE INHIBITOR.
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION, 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid
Authors:Lukacs, C.M., Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
5W8H
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 11
Descriptor:L-lactate dehydrogenase A chain, 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, ...
Authors:Lukacs, C.M., Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8I
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 23 AND ZINC
Descriptor:L-lactate dehydrogenase A chain, ZINC ION, 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
Authors:Lukacs, C.M., Abendroth, J.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8J
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 29
Descriptor:L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, MALONIC ACID, ...
Authors:Lukacs, C.M., Moulin, A.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8K
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CRYSTAL STRUCTURE OF LACTATE DEHYDROGENASE A IN COMPLEX WITH INHIBITOR COMPOUND 29 AND NADH
Descriptor:L-lactate dehydrogenase A chain, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Lukacs, C.M., Dranow, D.M.
Deposit date:2017-06-21
Release date:2018-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
1P2A
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THE STRUCTURE OF CYCLIN DEPENDENT KINASE 2 (CKD2) WITH A TRISUBSTITUTED NAPHTHOSTYRIL INHIBITOR
Descriptor:Cell division protein kinase 2, 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE
Authors:Liu, J.-J., Dermatakis, A., Lukacs, C.M., Konzelmann, F., Chen, Y., Kammlott, U., Depinto, W., Yang, H., Yin, X., Chen, Y., Schutt, A., Simcox, M.E., Luk, K.-C.
Deposit date:2003-04-15
Release date:2003-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors
BIOORG.MED.CHEM., 13, 2003
4NOZ
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CRYSTAL STRUCTURE OF AN ORGANIC HYDROPEROXIDE RESISTANCE PROTEIN FROM BURKHOLDERIA CENOCEPACIA
Descriptor:Organic hydroperoxide resistance protein, 1,2-ETHANEDIOL
Authors:Dranow, D.M., Lukacs, C.M., Edwards, T.E., Lorimer, D., Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-11-20
Release date:2013-12-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia
TO BE PUBLISHED
3LE6
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THE STRUCTURE OF CYCLIN DEPENDENT KINASE 2 (CKD2) WITH A PYRAZOLOBENZODIAZEPINE INHIBITOR
Descriptor:Cell division protein kinase 2, 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine
Authors:Lukacs, C.M., Swain, A., Crowther, R.L., Kammlott, R.U., Liu, J.J.
Deposit date:2010-01-14
Release date:2010-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3ORN
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MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN COMPLEX WITH CH4987655 AND MGAMP-PNP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Lukacs, C.M., Janson, C., Schuck, V., Belunis, C.
Deposit date:2010-09-07
Release date:2011-03-02
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3OS3
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MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1 (MEK1) IN COMPLEX WITH CH4858061 AND MGATP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, ADENOSINE-5'-TRIPHOSPHATE, 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ...
Authors:Lukacs, C.M., Janson, C., Schuck, V., Belunis, C.
Deposit date:2010-09-08
Release date:2011-07-27
Last modified:2017-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent.
Bioorg.Med.Chem.Lett., 21, 2011
3U15
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STRUCTURE OF HDMX WITH DIMER INDUCING INDOLYL HYDANTOIN RO-2443
Descriptor:Protein Mdm4, (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, SULFATE ION
Authors:Lukacs, C.M., Janson, C.A., Graves, B.J.
Deposit date:2011-09-29
Release date:2012-06-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
3VBG
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STRUCTURE OF HDM2 WITH DIMER INDUCING INDOLYL HYDANTOIN RO-2443
Descriptor:E3 ubiquitin-protein ligase Mdm2, (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione
Authors:Lukacs, C.M., Janson, C.A., Graves, B.J.
Deposit date:2012-01-02
Release date:2012-06-27
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation of the p53 pathway by small-molecule-induced MDM2 and MDMX dimerization.
Proc.Natl.Acad.Sci.USA, 109, 2012
3WIG
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HUMAN MEK1 KINASE IN COMPLEX WITH CH5126766 AND MGAMP-PNP
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, MAGNESIUM ION, ...
Authors:Lukacs, C.M., Janson, C., Schuck, V.
Deposit date:2013-09-12
Release date:2014-06-04
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Disruption of CRAF-Mediated MEK Activation Is Required for Effective MEK Inhibition in KRAS Mutant Tumors
Cancer Cell, 25, 2014
4J3Y
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CRYSTAL STRUCTURE OF XIAP-BIR2 DOMAIN
Descriptor:E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M., Janson, C.A.
Deposit date:2013-02-06
Release date:2013-09-25
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of XIAP BIR2: understanding the selectivity of the BIR domains.
Acta Crystallogr.,Sect.D, 69, 2013
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