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1AS4
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BU of 1as4 by Molmil
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
3CAA
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BU of 3caa by Molmil
CLEAVED ANTICHYMOTRYPSIN A347R
Descriptor: ANTICHYMOTRYPSIN
Authors:Lukacs, C.M, Christianson, D.W.
Deposit date:1997-08-18
Release date:1998-02-25
Last modified:2023-08-09
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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BU of 4caa by Molmil
CLEAVED ANTICHYMOTRYPSIN T345R
Descriptor: ANTICHYMOTRYPSIN
Authors:Lukacs, C.M, Christianson, D.W.
Deposit date:1997-08-14
Release date:1998-02-25
Last modified:2023-08-09
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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BU of 1z8d by Molmil
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
4WJB
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BU of 4wjb by Molmil
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
1D2I
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BU of 1d2i by Molmil
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
1DFM
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BU of 1dfm by Molmil
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
1ES8
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BU of 1es8 by Molmil
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
4PN3
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BU of 4pn3 by Molmil
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
5W8J
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BU of 5w8j by Molmil
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:2024-03-13
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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BU of 5w8k by Molmil
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:2024-03-13
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
5W8I
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BU of 5w8i by Molmil
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
5W8H
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BU of 5w8h by Molmil
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:2024-03-13
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
4E73
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BU of 4e73 by Molmil
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
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
Descriptor: E3 ubiquitin-protein ligase XIAP, 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, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
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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BU of 4kjv by Molmil
Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
Descriptor: 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, E3 ubiquitin-protein ligase XIAP, ZINC ION
Authors:Lukacs, C.M, Janson, C.A.
Deposit date:2013-05-03
Release date:2013-11-27
Last modified:2023-09-20
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
1P2A
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BU of 1p2a by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a trisubstituted naphthostyril inhibitor
Descriptor: 5-[(2-AMINOETHYL)AMINO]-6-FLUORO-3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-2(1H)-ONE, Cell division protein kinase 2
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:2024-02-14
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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BU of 4noz by Molmil
Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, Organic hydroperoxide resistance protein
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:2023-09-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Crystal Structure of an Organic Hydroperoxide Resistance Protein from Burkholderia cenocepacia
TO BE PUBLISHED
3U15
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BU of 3u15 by Molmil
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
3VBG
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BU of 3vbg by Molmil
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
3WIG
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BU of 3wig by Molmil
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
3LE6
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BU of 3le6 by Molmil
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
3ORN
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BU of 3orn by Molmil
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
3OS3
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BU of 3os3 by Molmil
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
4X54
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BU of 4x54 by Molmil
Crystal structure of an oxidoreductase (short chain dehydrogenase/reductase) from Brucella ovis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Oxidoreductase, short chain dehydrogenase/reductase family
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-12-04
Release date:2015-02-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of an oxidoreductase/ short chain dehydrogenase from Brucella ovis
To Be Published

 

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