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3EKN
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BU of 3ekn by Molmil
Insulin receptor kinase complexed with an inhibitor
Descriptor: 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Insulin receptor
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
3EKK
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BU of 3ekk by Molmil
Insulin receptor kinase complexed with an inhibitor
Descriptor: 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide, Insulin receptor
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Sabbatini, P, Shewchuk, L.
Deposit date:2008-09-19
Release date:2008-12-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidines: Potent inhibitors of the IGF-1R receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 19, 2009
3ELJ
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BU of 3elj by Molmil
Jnk1 complexed with a bis-anilino-pyrrolopyrimidine inhibitor.
Descriptor: 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide, Mitogen-activated protein kinase 8
Authors:Chamberlain, S, Atkins, C, Deanda, F, Dumble, M, Gerding, R, Groy, A, Korenchuk, S, Kumar, R, Lei, H, Mook, R, Moorthy, G, Redman, A, Rowland, J, Shewchuk, L, Vicentini, G, Mosley, J.
Deposit date:2008-09-22
Release date:2008-12-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optimization of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine IGF-1R tyrosine kinase inhibitors towards JNK selectivity.
Bioorg.Med.Chem.Lett., 19, 2009
6N4T
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BU of 6n4t by Molmil
Crystal structure of Matriptase1 in complex with a peptidomimetic benzothiazole
Descriptor: ETHANOL, GLUTATHIONE, MAGNESIUM ION, ...
Authors:Campobasso, N.
Deposit date:2018-11-20
Release date:2019-10-02
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Discovery and Development of TMPRSS6 Inhibitors Modulating Hepcidin Levels in Human Hepatocytes.
Cell Chem Biol, 26, 2019
5DE1
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BU of 5de1 by Molmil
Crystal structure of human IDH1 in complex with GSK321A
Descriptor: (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Concha, N.O, Smallwood, A, Qi, H.
Deposit date:2015-08-25
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.
Nat.Chem.Biol., 11, 2015
6X9I
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BU of 6x9i by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9K
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BU of 6x9k by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021
6X9J
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BU of 6x9j by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ...
Authors:Pathuri, S, Horton, J.R, Cheng, X.
Deposit date:2020-06-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia.
Nat Cancer, 2, 2021

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