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2CPK
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BU of 2cpk by Molmil
CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CYCLIC ADENOSINE MONOPHOSPHATE-DEPENDENT PROTEIN KINASE
Descriptor: PEPTIDE INHIBITOR 20-MER, cAMP-DEPENDENT PROTEIN KINASE, CATALYTIC SUBUNIT
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
1APM
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BU of 1apm by Molmil
2.0 ANGSTROM REFINED CRYSTAL STRUCTURE OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE COMPLEXED WITH A PEPTIDE INHIBITOR AND DETERGENT
Descriptor: N-OCTANE, PEPTIDE INHIBITOR PKI(5-24), cAMP-DEPENDENT PROTEIN KINASE
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:2021-11-03
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
2X4Z
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BU of 2x4z by Molmil
Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309
Descriptor: GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4
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
4HVB
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BU of 4hvb by Molmil
Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064
Descriptor: 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Cheng, H.
Deposit date:2012-11-05
Release date:2013-11-20
Last modified:2024-02-28
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
3ML9
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BU of 3ml9 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
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
3ML8
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BU of 3ml8 by Molmil
Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04691502 through Structure Based Drug Design
Descriptor: 8-cyclopentyl-6-[3-(hydroxymethyl)phenyl]-4-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R.
Deposit date:2010-04-16
Release date:2010-06-02
Last modified:2024-02-21
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
1CMK
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BU of 1cmk by Molmil
CRYSTAL STRUCTURES OF THE MYRISTYLATED CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE REVEAL OPEN AND CLOSED CONFORMATIONS
Descriptor: IODIDE ION, MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT, ...
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
1ATP
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BU of 1atp by Molmil
2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, PEPTIDE INHIBITOR PKI(5-24), ...
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
4FAD
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BU of 4fad by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-6-(5-fluoro-6-methoxypyridin-3-yl)-4-methyl-8-(pyrrolidin-1-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Greasley, S.E, Knighton, D.R, LaFleur Rogers, C.M.
Deposit date:2012-05-22
Release date:2013-04-03
Last modified:2024-02-28
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
1AUI
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BU of 1aui by Molmil
HUMAN CALCINEURIN HETERODIMER
Descriptor: CALCIUM ION, FE (III) ION, SERINE/THREONINE PHOSPHATASE 2B, ...
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:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex.
Nature, 378, 1995
3OAW
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BU of 3oaw by Molmil
4-Methylpteridineones as Orally Active and Selective PI3K/mTOR Dual Inhibitors
Descriptor: 2-amino-4-methyl-8-(1-methylethyl)-6-(1H-pyrazol-4-yl)pteridin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-08-05
Release date:2010-09-22
Last modified:2024-02-21
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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BU of 3pre by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 2-amino-8-(trans-4-methoxycyclohexyl)-4-methyl-6-(1H-pyrazol-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-11-29
Release date:2011-02-09
Last modified:2024-02-21
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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BU of 3prz by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-2-methyl-N-(1H-pyrazol-3-yl)quinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rodgers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
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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BU of 3ps6 by Molmil
Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors.
Descriptor: 4-amino-N-(6-methoxypyridin-3-yl)-2-methylquinazoline-8-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Knighton, D.R, Greasley, S.E, Rogers, C.M.-L.
Deposit date:2010-11-30
Release date:2011-02-09
Last modified:2024-02-21
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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BU of 1ctp by Molmil
STRUCTURE OF THE MAMMALIAN CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND AN INHIBITOR PEPTIDE DISPLAYS AN OPEN CONFORMATION
Descriptor: MYRISTIC ACID, cAMP-DEPENDENT PROTEIN KINASE, cAMP-dependent protein kinase inhibitor, ...
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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BU of 1cdk by Molmil
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, MANGANESE (II) ION, MYRISTIC ACID, ...
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
1JBP
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BU of 1jbp by Molmil
Crystal Structure of the Catalytic Subunit of cAMP-dependent Protein Kinase Complexed with a Substrate Peptide, ADP and Detergent
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM, ...
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:2023-08-16
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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BU of 1jlu by Molmil
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:2023-08-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:cAMP-dependent protein kinase: crystallographic insights into substrate recognition and phosphotransfer.
Protein Sci., 3, 1994
1FMO
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BU of 1fmo by Molmil
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: ADENOSINE, CAMP-DEPENDENT PROTEIN KINASE, HEAT STABLE RABBIT SKELETAL MUSCLE INHIBITOR PROTEIN
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:2023-08-09
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
4FA6
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BU of 4fa6 by Molmil
Design and Synthesis of a Novel Pyrrolidinyl Pyrido Pyrimidinone Derivative as a Potent Inhibitor of PI3Ka and mTOR
Descriptor: 2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Pannifer, A, Greasley, S.E.
Deposit date:2012-05-21
Release date:2013-04-03
Last modified:2024-02-28
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
1BX6
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BU of 1bx6 by Molmil
CRYSTAL STRUCTURE OF THE POTENT NATURAL PRODUCT INHIBITOR BALANOL IN COMPLEX WITH THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE
Descriptor: BALANOL, CAMP-DEPENDENT PROTEIN KINASE
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:2023-08-09
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
1BKX
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BU of 1bkx by Molmil
A BINARY COMPLEX OF THE CATALYTIC SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE AND ADENOSINE FURTHER DEFINES CONFORMATIONAL FLEXIBILITY
Descriptor: ADENOSINE-5'-MONOPHOSPHATE, CAMP-DEPENDENT PROTEIN KINASE
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:2023-08-02
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
1J3H
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BU of 1j3h by Molmil
Crystal structure of apoenzyme cAMP-dependent protein kinase catalytic subunit
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, cAMP-dependent protein kinase, alpha-catalytic subunit
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:2023-10-25
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
1L3R
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BU of 1l3r by Molmil
Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, ...
Authors:Madhusudan, Akamine, P, Xuong, N.-H, Taylor, S.S.
Deposit date:2002-02-28
Release date:2002-03-20
Last modified:2023-08-16
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
2P6B
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BU of 2p6b by Molmil
Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide
Descriptor: CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ...
Authors:Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G.
Deposit date:2007-03-16
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007

 

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