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3IW4
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BU of 3iw4 by Molmil
Crystal structure of PKC alpha in complex with NVP-AEB071
分子名称: 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione, Protein kinase C alpha type
著者Stark, W, Rummel, G, Strauss, A, Cowan-Jacob, S.W.
登録日2009-09-02
公開日2009-11-03
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes
J.Med.Chem., 52, 2009
1AP9
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BU of 1ap9 by Molmil
X-RAY STRUCTURE OF BACTERIORHODOPSIN FROM MICROCRYSTALS GROWN IN LIPIDIC CUBIC PHASES
分子名称: BACTERIORHODOPSIN, RETINAL
著者Pebay-Peyroula, E, Rummel, G, Rosenbusch, J.P, Landau, E.M.
登録日1997-07-26
公開日1998-09-16
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献X-ray structure of bacteriorhodopsin at 2.5 angstroms from microcrystals grown in lipidic cubic phases.
Science, 277, 1997
5O83
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BU of 5o83 by Molmil
Discovery of CDZ173 (leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors
分子名称: Leniolisib, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2017-06-12
公開日2017-09-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of CDZ173 (Leniolisib), Representing a Structurally Novel Class of PI3K Delta-Selective Inhibitors.
ACS Med Chem Lett, 8, 2017
2JED
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BU of 2jed by Molmil
The crystal structure of the kinase domain of the protein kinase C theta in complex with NVP-XAA228 at 2.32A resolution.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(8-DIMETHYLAMINOMETHYL-6,7,8,9-TETRAHYDRO-PYRIDO[1,2-A]INDOL-10-YL)-4-(1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, PROTEIN KINASE C THETA
著者Stark, W, Bitsch, F, Berner, A, Buelens, F, Graff, P, Depersin, H, Geiser, M, Knecht, R, Rahuel, J, Rummel, G, Schlaeppi, J.M, Schmitz, R, Strauss, A, Wagner, J.
登録日2007-01-16
公開日2008-02-05
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献The Crystal Structure of the Kinase Domain of the Protein Kinase C Theta in Complex with Nvp-Xaa228
To be Published
5IS5
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BU of 5is5 by Molmil
Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors
分子名称: 5-{4-[3-(4-acetylpiperazine-1-carbonyl)phenyl]quinazolin-6-yl}-2-methoxypyridine-3-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
著者Gutmann, S, Rummel, G, Shrestha, B.
登録日2016-03-15
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors.
Acs Med.Chem.Lett., 7, 2016
2J1N
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BU of 2j1n by Molmil
osmoporin OmpC
分子名称: CHLORIDE ION, DODECANE, MAGNESIUM ION, ...
著者Basle, A, Storici, P, Rummel, G, Rosenbusch, J.P, Schirmer, T.
登録日2006-08-15
公開日2006-09-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Osmoporin Ompc from E. Coli at 2.0 A.
J.Mol.Biol., 362, 2006
3TXO
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BU of 3txo by Molmil
PKC eta kinase in complex with a naphthyridine
分子名称: 2-methyl-N~1~-[3-(pyridin-4-yl)-2,6-naphthyridin-1-yl]propane-1,2-diamine, Protein kinase C eta type
著者Stark, W, Rummel, G, Cowan-Jacob, S.W.
登録日2011-09-23
公開日2011-11-30
最終更新日2011-12-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献2,6-Naphthyridines as potent and selective inhibitors of the novel protein kinase C isozymes.
Bioorg.Med.Chem.Lett., 21, 2011
4ZJJ
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BU of 4zjj by Molmil
PAK1 in complex with (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide
分子名称: (S)-N-(tert-butyl)-3-((2-chloro-5-ethyl-8-fluoro-dibenzodiazepin-11-yl)amino)pyrrolidine-1-carboxamide, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
著者Gutmann, S, Rummel, G.
登録日2015-04-29
公開日2015-06-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
4ZJI
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BU of 4zji by Molmil
PAK1 in complex with 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine
分子名称: 2-chloro-5-ethyl-8-fluoro-11-(4-methylpiperazin-1-yl)-dibenzodiazepine, MAGNESIUM ION, Serine/threonine-protein kinase PAK 1
著者Gutmann, S, Rummel, G.
登録日2015-04-29
公開日2015-06-24
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
1MPF
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BU of 1mpf by Molmil
STRUCTURAL AND FUNCTIONAL ALTERATIONS OF A COLICIN RESISTANT MUTANT OF OMPF-PORIN FROM ESCHERICHIA COLI
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Schirmer, T.
登録日1994-08-10
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional alterations of a colicin-resistant mutant of OmpF porin from Escherichia coli.
Proc.Natl.Acad.Sci.USA, 91, 1994
2HYY
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BU of 2hyy by Molmil
Human Abl kinase domain in complex with imatinib (STI571, Glivec)
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZ4
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BU of 2hz4 by Molmil
Abl kinase domain unligated and in complex with tetrahydrostaurosporine
分子名称: 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2OMF
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BU of 2omf by Molmil
OMPF PORIN
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Cowan, S.W.
登録日1995-02-28
公開日1995-12-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Refined Structure of Ompf Porin from E.Coli at 2.4 Angstroms Resolution
To be Published
1OPF
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BU of 1opf by Molmil
THE STRUCTURE OF OMPF PORIN IN A TETRAGONAL CRYSTAL FORM
分子名称: MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Cowan, S.W, Schirmer, T, Pauptit, R.A, Jansonius, J.N.
登録日1994-11-21
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The structure of OmpF porin in a tetragonal crystal form.
Structure, 3, 1995
1PHO
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BU of 1pho by Molmil
CRYSTAL STRUCTURES EXPLAIN FUNCTIONAL PROPERTIES OF TWO E. COLI PORINS
分子名称: PHOSPHOPORIN
著者Schirmer, T, Cowan, S.W, Jansonius, J.N.
登録日1993-01-15
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures explain functional properties of two E. coli porins.
Nature, 358, 1992
1GFM
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BU of 1gfm by Molmil
OMPF PORIN (MUTANT D113G)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Lou, K.-L, Schirmer, T.
登録日1996-05-08
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFP
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BU of 1gfp by Molmil
OMPF PORIN (MUTANT R42C)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Lou, K.-L, Schirmer, T.
登録日1996-05-08
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFQ
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BU of 1gfq by Molmil
OMPF PORIN (MUTANT R82C)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Lou, K.-L, Schirmer, T.
登録日1996-05-08
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFO
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BU of 1gfo by Molmil
OMPF PORIN (MUTANT R132P)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Lou, K.-L, Schirmer, T.
登録日1996-05-08
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
1GFN
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BU of 1gfn by Molmil
OMPF PORIN DELETION (MUTANT DELTA 109-114)
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MATRIX PORIN OUTER MEMBRANE PROTEIN F
著者Lou, K.-L, Schirmer, T.
登録日1996-05-08
公開日1996-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural and functional characterization of OmpF porin mutants selected for larger pore size. I. Crystallographic analysis.
J.Biol.Chem., 271, 1996
6RNK
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BU of 6rnk by Molmil
Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist NF-56-EJ40.
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, GLYCEROL, ...
著者Haffke, M, Jaakola, V.-P.
登録日2019-05-08
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
2HZN
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BU of 2hzn by Molmil
Abl kinase domain in complex with NVP-AFG210
分子名称: 1-[4-(PYRIDIN-4-YLOXY)PHENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]UREA, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-09
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZI
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BU of 2hzi by Molmil
Abl kinase domain in complex with PD180970
分子名称: 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-09
公開日2007-01-16
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
2HZ0
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BU of 2hz0 by Molmil
Abl kinase domain in complex with NVP-AEG082
分子名称: 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Cowan-Jacob, S.W, Fendrich, G, Liebetanz, J, Fabbro, D, Manley, P.
登録日2006-08-08
公開日2007-01-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural biology contributions to the discovery of drugs to treat chronic myelogenous leukaemia.
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
6HD6
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ABL1 IN COMPLEX WITH COMPOUND6 AND IMATINIB (STI-571)
分子名称: 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, ...
著者Cowan-Jacob, S.W.
登録日2018-08-17
公開日2018-09-12
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Asciminib (ABL001), an Allosteric Inhibitor of the Tyrosine Kinase Activity of BCR-ABL1.
J. Med. Chem., 61, 2018

 

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