Author results

1KCQ
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HUMAN GELSOLIN DOMAIN 2 WITH A CD2+ BOUND
Descriptor:GELSOLIN, CADMIUM ION
Authors:Kazmirski, S.L., Isaacson, R.L., An, C., Buckle, A., Johnson, C.M., Daggett, V., Fersht, A.R.
Deposit date:2001-11-09
Release date:2002-01-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Loss of a metal-binding site in gelsolin leads to familial amyloidosis-Finnish type.
Nat.Struct.Biol., 9, 2002
1XXH
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ATPGS BOUND E. COLI CLAMP LOADER COMPLEX
Descriptor:DNA polymerase III, delta subunit, DNA polymerase III subunit gamma, ...
Authors:Kazmirski, S.L., Podobnik, M., Weitze, T.F., O'Donnell, M., Kuriyan, J.
Deposit date:2004-11-05
Release date:2004-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural analysis of the inactive state of the Escherichia coli DNA polymerase clamp-loader complex
Proc.Natl.Acad.Sci.USA, 101, 2004
1XXI
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ADP BOUND E. COLI CLAMP LOADER COMPLEX
Descriptor:DNA polymerase III, delta subunit, DNA polymerase III subunit gamma, ...
Authors:Kazmirski, S.L., Podobnik, M., Weitze, T.F., O'Donnell, M., Kuriyan, J.
Deposit date:2004-11-05
Release date:2004-12-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structural analysis of the inactive state of the Escherichia coli DNA polymerase clamp-loader complex
Proc.Natl.Acad.Sci.USA, 101, 2004
3GLH
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CRYSTAL STRUCTURE OF THE E. COLI CLAMP LOADER BOUND TO PSI PEPTIDE
Descriptor:DNA polymerase III subunit delta, DNA polymerase III subunit tau, DNA polymerase III subunit delta'
Authors:Kazmirski, S.L., Simonetta, K.R., Kuriyan, J.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (3.891 Å)
Cite:The mechanism of ATP-dependent primer-template recognition by a clamp loader complex.
Cell(Cambridge,Mass.), 137, 2009
5BNM
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E. COLI FABH WITH SMALL MOLECULE INHIBITOR 1
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase 3, SULFATE ION, N-{[3'-(hydroxymethyl)biphenyl-4-yl]methyl}benzenesulfonamide, ...
Authors:Kazmirski, S.L., McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BNR
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E. COLI FABH WITH SMALL MOLECULE INHIBITOR 2
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase 3, 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
Authors:Kazmirski, S.L., McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BNS
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E. COLI FABH WITH SMALL MOLECULE INHIBITOR 2
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase 3, 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
Authors:Kazmirski, S.L., McKinney, D.C.
Deposit date:2015-05-26
Release date:2016-05-18
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
5BQS
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S. PNEUMONIAE FABH WITH SMALL MOLECULE INHIBITOR 4
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase 3, SODIUM ION, 1-{5-[2-chloro-5-(hydroxymethyl)phenyl]pyridin-2-yl}piperidine-4-carboxylic acid
Authors:Kazmirski, S.L., McKinney, D.C.
Deposit date:2015-05-29
Release date:2016-05-18
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
3K3I
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P38ALPHA BOUND TO NOVEL DGF-OUT COMPOUND PF-00215955
Descriptor:Mitogen-activated protein kinase 14, (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Authors:Kazmirski, S.L., DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
3K3J
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P38ALPHA BOUND TO NOVEL DFG-OUT COMPOUND PF-00416121
Descriptor:Mitogen-activated protein kinase 14, 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine
Authors:Kazmirski, S.L., DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
3DV3
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MEK1 WITH PF-04622664 BOUND
Descriptor:Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Kazmirski, S.L., Kothe, M., Ding, Y.-H.
Deposit date:2008-07-18
Release date:2009-07-21
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?
Bioorg.Med.Chem.Lett., 19, 2009
4W6E
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HUMAN TANKYRASE 1 WITH SMALL MOLECULE INHIBITOR
Descriptor:Tankyrase-1, ZINC ION, 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one
Authors:Kazmirski, S.L., Johannes, J., Boriack-Sjodin, P.A., Howard, T.
Deposit date:2014-08-20
Release date:2015-05-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
5EBT
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TANKYRASE 1 WITH PHTHALAZINONE 2
Descriptor:Tankyrase-1, (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, ...
Authors:Kazmirski, S.L., Johannes, J.
Deposit date:2015-10-19
Release date:2016-03-02
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
5ECE
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TANKYRASE 1 WITH PHTHALAZINONE 1
Descriptor:Tankyrase-1, 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ...
Authors:Kazmirski, S.L., Johannes, J., Read, J.A., Howard, T., Larsen, N.A., Ferguson, A.D.
Deposit date:2015-10-20
Release date:2015-11-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
4KNR
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HIN GLMU BOUND TO WG188
Descriptor:Bifunctional protein GlmU, N-{4-[(2-benzyl-7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, TETRAETHYLENE GLYCOL, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-10
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KNX
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HIN GLMU BOUND TO WG176
Descriptor:Bifunctional protein GlmU, [(4-{[4-(benzoylamino)phenyl]amino}-6-methoxyquinazolin-7-yl)oxy]acetic acid, TETRAETHYLENE GLYCOL, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-10
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KPX
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HIN GLMU BOUND TO WG766
Descriptor:Bifunctional protein GlmU, SULFATE ION, MAGNESIUM ION, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-14
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KPZ
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HIN GLMU BOUND TO A SMALL MOLECULE FRAGMENT
Descriptor:Bifunctional protein GlmU, 1-(3-nitrophenyl)dihydropyrimidine-2,4(1H,3H)-dione, SULFATE ION, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-14
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4KQL
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HIN GLMU BOUND TO WG578
Descriptor:Bifunctional protein GlmU, SULFATE ION, MAGNESIUM ION, ...
Authors:Doig, P., Kazmirski, S.L., Boriack-Sjodin, P.A.
Deposit date:2013-05-15
Release date:2014-10-15
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.
Bioorg.Med.Chem., 22, 2014
4W5S
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TANKYRASE IN COMPLEX WITH COMPOUND
Descriptor:Tankyrase-1, GLYCEROL, 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one, ...
Authors:Johannes, J., Kazmirski, S.L., Boriack-Sjodin, P.A., Howard, T.
Deposit date:2014-08-18
Release date:2015-05-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
1EM8
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CRYSTAL STRUCTURE OF CHI AND PSI SUBUNIT HETERODIMER FROM DNA POL III
Descriptor:DNA POLYMERASE III CHI SUBUNIT, DNA POLYMERASE III PSI SUBUNIT
Authors:Gulbis, J.M., Finkelstein, J., O'Donnell, M., Kuriyan, J.
Deposit date:2000-03-16
Release date:2003-08-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the chi:psi sub-assembly of the Escherichia coli DNA polymerase clamp-loader complex.
Eur.J.Biochem., 271, 2004
3GLF
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CRYSTAL STRUCTURE OF THE ECOLI CLAMP LOADER BOUND TO PRIMER-TEMPLATE DNA
Descriptor:DNA polymerase III subunit delta, DNA polymerase III subunit tau, DNA polymerase III subunit delta', ...
Authors:Simonetta, K.R., Kuriyan, J.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (3.388 Å)
Cite:The mechanism of ATP-dependent primer-template recognition by a clamp loader complex.
Cell(Cambridge,Mass.), 137, 2009
3GLG
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CRYSTAL STRUCTURE OF A MUTANT (GAMMAT157A) E. COLI CLAMP LOADER BOUND TO PRIMER-TEMPLATE DNA
Descriptor:DNA polymerase III subunit delta, DNA polymerase III subunit tau, DNA polymerase III subunit delta', ...
Authors:Simonetta, K.R., Seyedin, S.N., Kuriyan, J.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2012-10-10
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:The mechanism of ATP-dependent primer-template recognition by a clamp loader complex.
Cell(Cambridge,Mass.), 137, 2009
3GLI
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CRYSTAL STRUCTURE OF THE E. COLI CLAMP LOADER BOUND TO PRIMER-TEMPLATE DNA AND PSI PEPTIDE
Descriptor:DNA polymerase III subunit delta, DNA polymerase III subunit tau, DNA polymerase III subunit delta', ...
Authors:Simonetta, K.R., Cantor, A.J., Kuriyan, J.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The mechanism of ATP-dependent primer-template recognition by a clamp loader complex.
Cell(Cambridge,Mass.), 137, 2009
4Z8D
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ANTIBACTERIAL FABH INHIBITORS WITH VALIDATED MODE OF ACTION IN HAEMOPHILUS INFLUENZAE BY IN VITRO RESISTANCE MUTATION MAPPING
Descriptor:3-oxoacyl-[acyl-carrier-protein] synthase 3, trans-4-[({[(2-chlorobenzyl)oxy]carbonyl}amino)methyl]cyclohexanecarboxylic acid, SULFATE ION
Authors:Lahiri, S.D.
Deposit date:2015-04-08
Release date:2016-05-04
Last modified:2016-09-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping.
Acs Infect Dis., 2, 2016
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