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4Y83
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CRYSTAL STRUCTURE OF COT KINASE DOMAIN IN COMPLEX WITH 5-(2-AMINO-5-(QUINOLIN-3-YL)PYRIDIN-3-YL)-1,3,4-OXADIAZOLE-2(3H)-THIONE
Descriptor:Mitogen-activated protein kinase kinase kinase 8, 5-[2-amino-5-(quinolin-3-yl)pyridin-3-yl]-1,3,4-oxadiazole-2(3H)-thione
Authors:Gutmann, S., Hinniger, A.
Deposit date:2015-02-16
Release date:2015-05-06
Last modified:2015-06-24
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
4Y85
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CRYSTAL STRUCTURE OF COT KINASE DOMAIN IN COMPLEX WITH 5-(5-(1H-INDOL-3-YL)-1H-PYRROLO[2,3-B]PYRIDIN-3-YL)-1,3,4-OXADIAZOL-2-AMINE
Descriptor:Mitogen-activated protein kinase kinase kinase 8, 5-[5-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3,4-oxadiazol-2-amine
Authors:Gutmann, S., Hinniger, A.
Deposit date:2015-02-16
Release date:2015-05-06
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:The Crystal Structure of Cancer Osaka Thyroid Kinase Reveals an Unexpected Kinase Domain Fold.
J.Biol.Chem., 290, 2015
1P6V
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CRYSTAL STRUCTURE OF THE TRNA DOMAIN OF TRANSFER-MESSENGER RNA IN COMPLEX WITH SMPB
Descriptor:45-MER, SsrA-binding protein
Authors:Gutmann, S., Haebel, P.W., Metzinger, L., Sutter, M., Felden, B., Ban, N.
Deposit date:2003-04-30
Release date:2003-08-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of the transfer-RNA domain of transfer-messenger RNA in complex with SmpB
Nature, 424, 2003
4ZJI
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PAK1 IN COMPLEX WITH 2-CHLORO-5-ETHYL-8-FLUORO-11-(4-METHYLPIPERAZIN-1-YL)-DIBENZODIAZEPINE
Descriptor:Serine/threonine-protein kinase PAK 1, 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION
Authors:Gutmann, S., Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2015-07-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZJJ
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PAK1 IN COMPLEX WITH (S)-N-(TERT-BUTYL)-3-((2-CHLORO-5-ETHYL-8-FLUORO-DIBENZODIAZEPIN-11-YL)AMINO)PYRROLIDINE-1-CARBOXAMIDE
Descriptor:Serine/threonine-protein kinase PAK 1, (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION
Authors:Gutmann, S., Rummel, G.
Deposit date:2015-04-29
Release date:2015-06-24
Last modified:2015-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
5IS5
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DISCOVERY AND PHARMACOLOGICAL CHARACTERIZATION OF NOVEL QUINAZOLINE-BASED PI3K DELTA-SELECTIVE INHIBITORS
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
Authors:Gutmann, S., Rummel, G., Shrestha, B.
Deposit date:2016-03-15
Release date:2016-08-10
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5IU2
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DISCOVERY OF IMIDAZOQUINOLINES AS A NOVEL CLASS OF POTENT, SELECTIVE AND IN VIVO EFFICACIOUS COT KINASE INHIBITORS
Descriptor:Mitogen-activated protein kinase kinase kinase 8, N-[2-(morpholin-4-yl)ethyl]-6-(8-phenyl-1H-imidazo[4,5-c][1,7]naphthyridin-1-yl)-1,3-benzothiazol-2-amine
Authors:Gutmann, S., Hinniger, A.
Deposit date:2016-03-17
Release date:2016-08-24
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Imidazoquinolines as a Novel Class of Potent, Selective, and in Vivo Efficacious Cancer Osaka Thyroid (COT) Kinase Inhibitors.
J.Med.Chem., 59, 2016
5O83
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DISCOVERY OF CDZ173 (LENIOLISIB), REPRESENTING A STRUCTURALLY NOVEL CLASS OF PI3K DELTA-SELECTIVE INHIBITORS
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Leniolisib
Authors:Gutmann, S., Rummel, G., Shrestha, B.
Deposit date:2017-06-12
Release date:2017-09-20
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors.
ACS Med Chem Lett, 8, 2017
2OH5
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THE CRYSTAL STRUCTURE OF INFECTIOUS CYPOVIRUS POLYHEDRA
Descriptor:Polyhedrin, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Coulibaly, F., Chiu, E., Ikeda, K., Gutmann, S., Haebel, P.W., Schulze-Briese, C., Mori, H., Metcalf, P.
Deposit date:2007-01-09
Release date:2007-03-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
2OH6
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THE CRYSTAL STRUCTURE OF RECOMBINANT CYPOVIRUS POLYHEDRA
Descriptor:Polyhedrin, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Coulibaly, F., Chiu, E., Ikeda, K., Gutmann, S., Haebel, P.W., Schulze-Briese, C., Mori, H., Metcalf, P.
Deposit date:2007-01-09
Release date:2007-03-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
2OH7
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THE CRYSTAL STRUCTURE OF CYPOVIRUS POLYHEDRA CONTAINING THE HUMAN ZIP-KINASE
Descriptor:Polyhedrin, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Coulibaly, F., Chiu, E., Ikeda, K., Gutmann, S., Haebel, P.W., Schulze-Briese, C., Mori, H., Metcalf, P.
Deposit date:2007-01-09
Release date:2007-03-06
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The molecular organization of cypovirus polyhedra.
Nature, 446, 2007
3DKT
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CRYSTAL STRUCTURE OF THERMOTOGA MARITIMA ENCAPSULIN
Descriptor:Maritimacin, Putative uncharacterized protein
Authors:Sutter, M., Boehringer, D., Gutmann, S., Weber-Ban, E., Ban, N.
Deposit date:2008-06-26
Release date:2008-09-02
Last modified:2011-08-31
Method:X-RAY DIFFRACTION (3.104 Å)
Cite:Structural basis of enzyme encapsulation into a bacterial nanocompartment
Nat.Struct.Mol.Biol., 15, 2008
4ZLO
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SERINE/THREONINE-PROTEIN KINASE PAK1 COMPLEXED WITH A DIBENZODIAZEPINE: IDENTIFICATION OF AN ALLOSTERIC SITE ON PAK1
Descriptor:Serine/threonine-protein kinase PAK 1, 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL
Authors:Bellamacina, C.R., Bussiere, D.E.
Deposit date:2015-05-01
Release date:2015-08-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
3JVB
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CRYSTAL STRUCTURE OF INFECTIOUS BACULOVIRUS POLYHEDRA
Descriptor:Polyhedrin, SULFATE ION
Authors:Coulibaly, F., Chiu, E., Metcalf, P.
Deposit date:2009-09-16
Release date:2009-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The atomic structure of baculovirus polyhedra reveals the independent emergence of infectious crystals in DNA and RNA viruses
Proc.Natl.Acad.Sci.USA, 106, 2009
3JW6
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CRYSTAL STRUCTURE OF ACMNPV BACULOVIRUS POLYHEDRA
Descriptor:Polyhedrin, 1,2-ETHANEDIOL
Authors:Coulibaly, F., Chiu, E., Metcalf, P.
Deposit date:2009-09-17
Release date:2009-12-08
Last modified:2018-07-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The atomic structure of baculovirus polyhedra reveals the independent emergence of infectious crystals in DNA and RNA viruses
Proc.Natl.Acad.Sci.USA, 106, 2009
5ITD
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CRYSTAL STRUCTURE OF PI3K ALPHA WITH PI3K DELTA INHIBITOR
Descriptor:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile
Authors:Knapp, M.S., Elling, R.A.
Deposit date:2016-03-16
Release date:2016-09-07
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016