1GNU
 
 | | GABA(A) receptor associated protein GABARAP | | Descriptor: | GABARAP, NICKEL (II) ION | | Authors: | Knight, D, Harris, R, Moss, S, Driscoll, P.C, Keep, N.H. | | Deposit date: | 2001-10-09 | | Release date: | 2001-12-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The X-Ray Crystal Structure and Putative Ligand-Derived Peptide Binding Properties of Gamma-Aminobutyric Acid Receptor Type a Receptor-Associated Protein
J.Biol.Chem., 277, 2002
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3OAW
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4HVB
 | | 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
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3PS6
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3PRZ
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3PRE
 | | 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
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2X4Z
 | | 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
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1APM
 | | 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: | 2024-10-09 | | 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
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3ML8
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3ML9
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2CPK
 | | 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: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the catalytic subunit of cyclic adenosine monophosphate-dependent protein kinase.
Science, 253, 1991
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4APP
 | | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with (S)-N-(5-(3-benzyl-1-methylpiperazine-4-carbonyl)-6,6-dimethyl-1,4,5, 6-tetrahydropyrrolo(3,4-c)pyrazol-3-yl)-3-phenoxybenzamide | | Descriptor: | GLYCEROL, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, SERINE/THREONINE-PROTEIN KINASE PAK 4 | | Authors: | Knighton, D.D, Deng, Y.L, Wang, C, Guo, C, McAlpine, I, Zhang, J, Kephart, S, Johnson, M.C, Li, H, Bouzida, D, Yang, A, Dong, L, Marakovits, J, Tikhe, J, Richardson, P, Guo, L.C, Kania, R, Edwards, M.P, Kraynov, E, Christensen, J, Piraino, J, Lee, J, Dagostino, E, Del-Carmen, C, Smeal, T, Murray, B.W. | | Deposit date: | 2012-04-04 | | Release date: | 2012-06-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
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2Q91
 | | Structure of the Ca2+-Bound Activated Form of the S100A4 Metastasis Factor | | Descriptor: | CALCIUM ION, S100A4 Metastasis Factor | | Authors: | Malashkevich, V.N, Knight, D, Ramagopal, U.A, Almo, S.C, Bresnick, A.R. | | Deposit date: | 2007-06-12 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure of Ca(2+)-Bound S100A4 and Its Interaction with Peptides Derived from Nonmuscle Myosin-IIA.
Biochemistry, 47, 2008
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3KO0
 | | Structure of the tfp-ca2+-bound activated form of the s100a4 Metastasis factor | | Descriptor: | 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE, CALCIUM ION, Protein S100-A4 | | Authors: | Malashkevich, V.N, Dulyaninova, N.G, Knight, D, Almo, S.C, Bresnick, A.R. | | Deposit date: | 2009-11-12 | | Release date: | 2010-05-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Phenothiazines inhibit S100A4 function by inducing protein oligomerization.
Proc.Natl.Acad.Sci.USA, 107, 2010
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1CMK
 | | 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: | 2024-06-05 | | 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
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1ATP
 | | 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: | 2024-11-06 | | 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
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1AUI
 | | 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
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4FAD
 | | 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
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