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1APM
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2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT
Descriptor:cAMP-DEPENDENT PROTEIN KINASE, PEPTIDE INHIBITOR PKI(5-24), N-OCTANE
Authors:Knighton, D.R., Bell, S.M., Zheng, J., Teneyck, L.F., Xuong, N.-H., Taylor, S.S., Sowadski, J.M.
Deposit date:1993-01-18
Release date:1993-04-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with a peptide inhibitor and detergent.
Acta Crystallogr.,Sect.D, 49, 1993
2CPK
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CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CYCLIC ADENOSINE MONOPHOSPHATE-DEPENDENT PROTEIN KINASE
Descriptor:cAMP-DEPENDENT PROTEIN KINASE, CATALYTIC SUBUNIT, PEPTIDE INHIBITOR 20-MER
Authors:Knighton, D.R., Zheng, J., Teneyck, L.F., Ashford, V.A., Xuong, N.-H., Taylor, S.S., Sowadski, J.M.
Deposit date:1992-10-21
Release date:1993-01-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase.
Science, 253, 1991
2X4Z
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CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH PF-03758309
Descriptor:SERINE/THREONINE-PROTEIN KINASE PAK 4, GLYCEROL, PF-3758309
Authors:Knighton, D.R., Deng, Y., Murray, B., Guo, C., Piraino, J., Westwick, J., Zhang, C., Lamerdin, J., Dagostino, E., Loi, C.-M., Zager, M., Kraynov, E., Christensen, J., Martinez, R., Kephart, S., Marakovits, J., Karlicek, S., Bergqvist, S., Smeal, T.
Deposit date:2010-02-03
Release date:2010-05-19
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth.
Proc.Natl.Acad.Sci.USA, 107, 2010
3ML8
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DISCOVERY OF THE HIGHLY POTENT PI3K/MTOR DUAL INHIBITOR PF-04691502 THROUGH STRUCTURE BASED DRUG DESIGN
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
3ML9
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DISCOVERY OF THE HIGHLY POTENT PI3K/MTOR DUAL INHIBITOR PF-04691502 THROUGH STRUCTURE BASED DRUG DESIGN
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2014-07-09
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
4HVB
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CATALYTIC UNIT OF PI3KG IN COMPLEX WITH PI3K/MTOR DUAL INHIBITOR PF-04979064
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one
Authors:Knighton, D.R., Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.
ACS Med Chem Lett, 4, 2013
1ATP
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2.2 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH MNATP AND A PEPTIDE INHIBITOR
Descriptor:cAMP-DEPENDENT PROTEIN KINASE, PEPTIDE INHIBITOR PKI(5-24), MANGANESE (II) ION, ...
Authors:Zheng, J., Trafny, E.A., Knighton, D.R., Xuong, N.-H., Taylor, S.S., Teneyck, L.F., Sowadski, J.M.
Deposit date:1993-01-08
Release date:1993-04-15
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MnATP and a peptide inhibitor.
Acta Crystallogr.,Sect.D, 49, 1993
1CMK
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CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS
Descriptor:cAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Zheng, J., Knighton, D.R., Xuong, N.-H., Taylor, S.S., Sowadski, J.M., Ten Eyck, L.F.
Deposit date:1993-11-18
Release date:1994-05-31
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the myristylated catalytic subunit of cAMP-dependent protein kinase reveal open and closed conformations.
Protein Sci., 2, 1993
1AUI
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HUMAN CALCINEURIN HETERODIMER
Descriptor:SERINE/THREONINE PHOSPHATASE 2B, ZINC ION, FE (III) ION, ...
Authors:Kissinger, C.R., Parge, H.E., Knighton, D.R., Pelletier, L.A., Lewis, C.T., Tempczyk, A., Villafranca, J.E.
Deposit date:1997-08-27
Release date:1997-12-03
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
4FAD
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DESIGN AND SYNTHESIS OF A NOVEL PYRROLIDINYL PYRIDO PYRIMIDINONE DERIVATIVE AS A POTENT INHIBITOR OF PI3KA AND MTOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Greasley, S.E., Knighton, D.R., LaFleur Rogers, C.M.
Deposit date:2012-05-22
Release date:2013-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
3OAW
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4-METHYLPTERIDINEONES AS ORALLY ACTIVE AND SELECTIVE PI3K/MTOR DUAL INHIBITORS
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one
Authors:Knighton, D.R., Greasley, S.E., Rodgers, C.M.-L.
Deposit date:2010-08-05
Release date:2010-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3PRE
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QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Knighton, D.R., Greasley, S.E., Rodgers, C.M.-L.
Deposit date:2010-11-29
Release date:2011-02-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PRZ
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QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide
Authors:Knighton, D.R., Greasley, S.E., Rodgers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3PS6
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QUINAZOLINES WITH INTRA-MOLECULAR HYDROGEN BONDING SCAFFOLD (IMHBS) AS PI3K/MTOR DUAL INHIBITORS.
Descriptor:Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide
Authors:Knighton, D.R., Greasley, S.E., Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
1CTP
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STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION
Descriptor:cAMP-DEPENDENT PROTEIN KINASE, cAMP-dependent protein kinase inhibitor, alpha form, ...
Authors:Karlsson, R., Zheng, J., Xuong, N.H., Taylor, S.S., Sowadski, J.M.
Deposit date:1993-04-08
Release date:1994-01-31
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the mammalian catalytic subunit of cAMP-dependent protein kinase and an inhibitor peptide displays an open conformation.
Acta Crystallogr.,Sect.D, 49, 1993
1CDK
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CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT (E.C.2.7.1.37) (PROTEIN KINASE A) COMPLEXED WITH PROTEIN KINASE INHIBITOR PEPTIDE FRAGMENT 5-24 (PKI(5-24) ISOELECTRIC VARIANT CA) AND MN2+ ADENYLYL IMIDODIPHOSPHATE (MNAMP-PNP) AT PH 5.6 AND 7C AND 4C
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, MANGANESE (II) ION, ...
Authors:Bossemeyer, D., Engh, R.A., Kinzel, V., Ponstingl, H., Huber, R.
Deposit date:1994-07-04
Release date:1995-10-15
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphotransferase and substrate binding mechanism of the cAMP-dependent protein kinase catalytic subunit from porcine heart as deduced from the 2.0 A structure of the complex with Mn2+ adenylyl imidodiphosphate and inhibitor peptide PKI(5-24).
EMBO J., 12, 1993
1BKX
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A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ADENOSINE-5'-MONOPHOSPHATE
Authors:Narayana, N., Cox, S., Xuong, N., Ten Eyck, L.F., Taylor, S.S.
Deposit date:1997-07-01
Release date:1998-03-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A binary complex of the catalytic subunit of cAMP-dependent protein kinase and adenosine further defines conformational flexibility.
Structure, 5, 1997
1BX6
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CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, BALANOL
Authors:Narayana, N., Xuong, N.-H., Ten Eyck, L.F., Taylor, S.S.
Deposit date:1998-10-13
Release date:1999-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of cAMP-dependent protein kinase.
Biochemistry, 38, 1999
1FMO
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CRYSTAL STRUCTURE OF A POLYHISTIDINE-TAGGED RECOMBINANT CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH THE PEPTIDE INHIBITOR PKI(5-24) AND ADENOSINE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN, ADENOSINE
Authors:Narayana, N., Cox, S., Shaltiel, S., Taylor, S.S., Xuong, N.-H.
Deposit date:1997-07-08
Release date:1998-01-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a polyhistidine-tagged recombinant catalytic subunit of cAMP-dependent protein kinase complexed with the peptide inhibitor PKI(5-24) and adenosine.
Biochemistry, 36, 1997
1J3H
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CRYSTAL STRUCTURE OF APOENZYME CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, (4S)-2-METHYL-2,4-PENTANEDIOL
Authors:Akamine, P., Madhusudan, Wu, J., Xuong, N.H., Ten Eyck, L.F., Taylor, S.S.
Deposit date:2003-01-31
Release date:2003-03-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Dynamic Features of cAMP-dependent Protein Kinase Revealed by Apoenzyme Crystal Structure
J.Mol.Biol., 327, 2003
1JBP
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CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A SUBSTRATE PEPTIDE, ADP AND DETERGENT
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
Authors:Madhusudan, Trafny, E.A., Xuong, N.H., Adams, J.A., Ten Eyck, L.F., Taylor, S.S., Sowadski, J.M.
Deposit date:2001-06-06
Release date:2001-06-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
1JLU
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CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PHOSPHORYLATED SUBSTRATE PEPTIDE AND DETERGENT
Descriptor:AMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
Authors:Madhusudan, Trafny, E.A., Xuong, N.-H., Adams, J.A., Ten Eyck, L.F., Taylor, S.S., Sowadski, J.M.
Deposit date:2001-07-16
Release date:2001-08-01
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
1L3R
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CRYSTAL STRUCTURE OF A TRANSITION STATE MIMIC OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE
Descriptor:CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, ...
Authors:Madhusudan, Akamine, P., Xuong, N.-H., Taylor, S.S.
Deposit date:2002-02-28
Release date:2002-03-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a transition state mimic of the catalytic subunit of cAMP-dependent protein kinase.
Nat.Struct.Biol., 9, 2002
4FA6
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DESIGN AND SYNTHESIS OF A NOVEL PYRROLIDINYL PYRIDO PYRIMIDINONE DERIVATIVE AS A POTENT INHIBITOR OF PI3KA AND MTOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Authors:Pannifer, A., Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Kalpha and mTOR
Bioorg.Med.Chem.Lett., 22, 2012
1RDQ
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HYDROLYSIS OF ATP IN THE CRYSTAL OF Y204A MUTANT OF CAMP-DEPENDENT PROTEIN KINASE
Descriptor:cAMP-dependent protein kinase, alpha-catalytic subunit, cAMP-dependent protein kinase inhibitor, ...
Authors:Yang, J., Ten Eyck, L.F., Xuong, N.H., Taylor, S.S.
Deposit date:2003-11-05
Release date:2004-04-13
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal Structure of a cAMP-dependent Protein Kinase Mutant at 1.26A: New Insights into the Catalytic Mechanism.
J.Mol.Biol., 336, 2004
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