3CAA
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![BU of 3caa by Molmil](/molmil-images/mine/3caa) | CLEAVED ANTICHYMOTRYPSIN A347R | Descriptor: | ANTICHYMOTRYPSIN | Authors: | Lukacs, C.M, Christianson, D.W. | Deposit date: | 1997-08-18 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | 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
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1AS4
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![BU of 1as4 by Molmil](/molmil-images/mine/1as4) | CLEAVED ANTICHYMOTRYPSIN A349R | Descriptor: | ACETATE ION, ANTICHYMOTRYPSIN | Authors: | Lukacs, C.M, Christianson, D.W. | Deposit date: | 1997-08-12 | Release date: | 1998-02-25 | Last modified: | 2024-02-07 | 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
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3U15
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![BU of 3u15 by Molmil](/molmil-images/mine/3u15) | Structure of hDMX with Dimer Inducing Indolyl Hydantoin RO-2443 | Descriptor: | (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, Protein Mdm4, SULFATE ION | Authors: | Lukacs, C.M, Janson, C.A, Graves, B.J. | Deposit date: | 2011-09-29 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | 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
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1Z8D
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![BU of 1z8d by Molmil](/molmil-images/mine/1z8d) | Crystal Structure of Human Muscle Glycogen Phosphorylase a with AMP and Glucose | Descriptor: | ADENINE, ADENOSINE MONOPHOSPHATE, Glycogen phosphorylase, ... | 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: | 2023-11-15 | 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
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3VBG
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![BU of 3vbg by Molmil](/molmil-images/mine/3vbg) | Structure of hDM2 with Dimer Inducing Indolyl Hydantoin RO-2443 | Descriptor: | (5Z)-5-[(6-chloro-7-methyl-1H-indol-3-yl)methylidene]-3-(3,4-difluorobenzyl)imidazolidine-2,4-dione, E3 ubiquitin-protein ligase Mdm2 | Authors: | Lukacs, C.M, Janson, C.A, Graves, B.J. | Deposit date: | 2012-01-02 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | 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
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3WIG
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![BU of 3wig by Molmil](/molmil-images/mine/3wig) | Human MEK1 kinase in complex with CH5126766 and MgAMP-PNP | Descriptor: | CHLORIDE ION, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Lukacs, C.M, Janson, C, Schuck, V. | Deposit date: | 2013-09-12 | Release date: | 2014-06-04 | Last modified: | 2024-03-20 | 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
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5E0I
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![BU of 5e0i by Molmil](/molmil-images/mine/5e0i) | |
4CAA
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![BU of 4caa by Molmil](/molmil-images/mine/4caa) | CLEAVED ANTICHYMOTRYPSIN T345R | Descriptor: | ANTICHYMOTRYPSIN | Authors: | Lukacs, C.M, Christianson, D.W. | Deposit date: | 1997-08-14 | Release date: | 1998-02-25 | Last modified: | 2024-05-22 | 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
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1RV1
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![BU of 1rv1 by Molmil](/molmil-images/mine/1rv1) | CRYSTAL STRUCTURE OF HUMAN MDM2 WITH AN IMIDAZOLINE INHIBITOR | Descriptor: | CIS-[4,5-BIS-(4-BROMOPHENYL)-2-(2-ETHOXY-4-METHOXYPHENYL)-4,5-DIHYDROIMIDAZOL-1-YL]-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]METHANONE, Ubiquitin-protein ligase E3 Mdm2 | Authors: | Lukacs, C, Kammlott, U, Graves, B. | Deposit date: | 2003-12-12 | Release date: | 2004-01-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | In vivo activation of the p53 pathway by small-molecule antagonists of MDM2. Science, 303, 2004
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3LE6
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![BU of 3le6 by Molmil](/molmil-images/mine/3le6) | The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor | Descriptor: | 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2 | 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: | 2024-02-21 | 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
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3ORN
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![BU of 3orn by Molmil](/molmil-images/mine/3orn) | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4987655 and MgAMP-PNP | Descriptor: | 3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-5-[(3-oxo-1,2-oxazinan-2-yl)methyl]benzamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | Deposit date: | 2010-09-07 | Release date: | 2011-03-02 | Last modified: | 2024-02-21 | 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
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3OS3
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![BU of 3os3 by Molmil](/molmil-images/mine/3os3) | Mitogen-activated protein kinase kinase 1 (MEK1) in complex with CH4858061 and MgATP | Descriptor: | 2-[(4-ethynyl-2-fluorophenyl)amino]-3,4-difluoro-N-(2-hydroxyethoxy)-5-{[(2-hydroxyethoxy)imino]methyl}benzamide, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, ... | Authors: | Lukacs, C.M, Janson, C, Schuck, V, Belunis, C. | Deposit date: | 2010-09-08 | Release date: | 2011-07-27 | Last modified: | 2024-02-21 | 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
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4WJB
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![BU of 4wjb by Molmil](/molmil-images/mine/4wjb) | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, Putative amidohydrolase/peptidase, 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 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia To Be Published
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5C5Q
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![BU of 5c5q by Molmil](/molmil-images/mine/5c5q) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5C5P
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![BU of 5c5p by Molmil](/molmil-images/mine/5c5p) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5C5R
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![BU of 5c5r by Molmil](/molmil-images/mine/5c5r) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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1DFM
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![BU of 1dfm by Molmil](/molmil-images/mine/1dfm) | Crystal structure of restriction endonuclease BGLII complexed with DNA 16-mer | Descriptor: | CALCIUM ION, DNA (5'-D(*TP*AP*TP*TP*AP*TP*AP*GP*AP*TP*CP*TP*AP*TP*AP*A)-3'), ENDONUCLEASE BGLII | 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
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1D2I
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![BU of 1d2i by Molmil](/molmil-images/mine/1d2i) | 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'), MAGNESIUM ION, PROTEIN (RESTRICTION ENDONUCLEASE BGLII) | 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
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4E73
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![BU of 4e73 by Molmil](/molmil-images/mine/4e73) | Crystal structure of JNK1beta-JIP in complex with an azaquinolone inhbitor | Descriptor: | C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, 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: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor. ACS Med Chem Lett, 3, 2012
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4PN3
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![BU of 4pn3 by Molmil](/molmil-images/mine/4pn3) | Crystal structure of 3-hydroxyacyl-CoA-dehydrogenase from Brucella melitensis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyacyl-CoA dehydrogenase | 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 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of 3-hydroxyacyl-CoA-dehydrogenase from Brucella melitensis To Be Published
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1ES8
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![BU of 1es8 by Molmil](/molmil-images/mine/1es8) | Crystal structure of free BglII | Descriptor: | ACETIC ACID, RESTRICTION ENDONUCLEASE BGLII | 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
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5W8K
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![BU of 5w8k by Molmil](/molmil-images/mine/5w8k) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | 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
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5W8H
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![BU of 5w8h by Molmil](/molmil-images/mine/5w8h) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 11 | Descriptor: | 2-[3-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Dranow, D.M. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | 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
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5W8J
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![BU of 5w8j by Molmil](/molmil-images/mine/5w8j) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 | Descriptor: | 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Lukacs, C.M, Moulin, A. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2024-04-03 | 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
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5W8I
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![BU of 5w8i by Molmil](/molmil-images/mine/5w8i) | Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc | Descriptor: | 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ... | Authors: | Lukacs, C.M, Abendroth, J. | Deposit date: | 2017-06-21 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | 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
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