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1FMN
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SOLUTION STRUCTURE OF FMN-RNA APTAMER COMPLEX, NMR, 5 STRUCTURES
Descriptor:RNA (5'-R(*GP*GP*CP*GP*UP*GP*UP*AP*GP*GP *AP*UP*AP*UP*GP*CP*UP*UP*CP*GP*GP*CP*AP*GP*AP*AP*GP *GP*AP*CP*AP*CP*GP*CP*C)-3'), FLAVIN MONONUCLEOTIDE
Authors:Fan, P., Suri, A.K., Fiala, R., Live, D., Patel, D.J.
Deposit date:1995-12-04
Release date:1996-07-11
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Molecular recognition in the FMN-RNA aptamer complex.
J.Mol.Biol., 258, 1996
5T1Z
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH ETHOXYTRIPHENYLETHYLENE AND GRIP PEPTIDE
Descriptor:Estrogen receptor, Nuclear receptor coactivator 2, 4,4'-[(1Z)-1-(4-ethoxyphenyl)but-1-ene-1,2-diyl]diphenol
Authors:Fanning, S.W., Rajan, S.S., Maximov, P.Y., Abderrahman, B.H., Surojeet, S., Fernandes, D.J., Fan, P., Curpan, R.F., Greene, G.L., Jordan, V.C.
Deposit date:2016-08-22
Release date:2017-08-30
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5W9C
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN C381S, C417S, C530S IN COMPLEX WITH 4-HYDROXYTAMOXIFEN
Descriptor:Estrogen receptor, 4-HYDROXYTAMOXIFEN
Authors:Fanning, S.W., Greene, G.W.
Deposit date:2017-06-23
Release date:2018-06-13
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
5W9D
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN C381S, C417S, C530S MUTANT IN COMPLEX WITH ENDOXIFEN
Descriptor:Estrogen receptor, Endoxifen
Authors:Fanning, S.W., Greene, G.L.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.6464 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
6CBZ
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ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN Y537S MUTANT IN COMPLEX WITH ESTRADIOL AND GRIP PEPTIDE
Descriptor:Estrogen receptor, grip peptide, ESTRADIOL, ...
Authors:Fanning, S.W., Greene, G.L.
Deposit date:2018-02-05
Release date:2018-02-28
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Endoxifen, 4-Hydroxytamoxifen and an Estrogenic Derivative Modulate Estrogen Receptor Complex Mediated Apoptosis in Breast Cancer.
Mol. Pharmacol., 94, 2018
3FMZ
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CRYSTAL STRUCTURE OF RETINOL-BINDING PROTEIN 4 (RBP4) IN COMPLEX WITH NON-RETINOID LIGAND
Descriptor:Retinol-binding protein 4, 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
Authors:Wang, Z., Johnstone, S., Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
4O9S
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CRYSTAL STRUCTURE OF RETINOL-BINDING PROTEIN 4 (RBP4)IN COMPLEX WITH A NON-RETINOID LIGAND
Descriptor:Retinol-binding protein 4, 1-[4-(8lambda~4~-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone, 1,2-ETHANEDIOL, ...
Authors:Wang, Z., Johnstone, S., Walker, N.P.
Deposit date:2014-01-02
Release date:2014-07-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
4PSQ
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CRYSTAL STRUCTURE OF RETINOL-BINDING PROTEIN 4 (RBP4) IN COMPLEX WITH A NON-RETINOID LIGAND
Descriptor:Retinol-binding protein 4, (1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone, PHOSPHATE ION, ...
Authors:Wang, Z., Johnstone, S., Walker, N.
Deposit date:2014-03-07
Release date:2014-07-02
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.
Bioorg.Med.Chem.Lett., 24, 2014
6G4Y
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CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IN COMPLEX WITH COMPOUND 1A
Descriptor:Mitogen-activated protein kinase kinase kinase 14, SULFATE ION, 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide
Authors:Hole, A.J., Hymowitz, S.G., McEwan, P.A.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
6G4Z
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CRYSTAL STRUCTURE OF MURINE NF-KAPPAB INDUCING KINASE (NIK) IN COMPLEX WITH COMPOUND 2F
Descriptor:Mitogen-activated protein kinase kinase kinase 14, 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
Authors:Leonardo-Silvestre, H., McEwan, P.A., Hymowitz, S.G.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
2MVW
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SOLUTION STRUCTURE OF THE TRIM19 B-BOX1 (B1) OF HUMAN PROMYELOCYTIC LEUKEMIA (PML)
Descriptor:Protein PML, ZINC ION
Authors:Huang, S., Naik, M.T., Fan, P., Wang, Y., Chang, C., Huang, T.
Deposit date:2014-10-17
Release date:2014-11-12
Last modified:2014-12-10
Method:SOLUTION NMR
Cite:The B-box 1 dimer of human promyelocytic leukemia protein.
J.Biomol.Nmr, 60, 2014
3OQ1
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CRYSTAL STRUCTURE OF 11BETA-HYDROXYSTEROID DEHYDROGENASE-1 (11B-HSD1) IN COMPLEX WITH DIARYLSULFONE INHIBITOR
Descriptor:Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile
Authors:Wang, Z., Sudom, A., Walker, N.P.
Deposit date:2010-09-02
Release date:2011-07-20
Last modified:2012-12-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
4TTH
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CRYSTAL STRUCTURE OF A CDK6/VCYCLIN COMPLEX WITH INHIBITOR BOUND
Descriptor:Cyclin homolog, Cyclin-dependent kinase 6, 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine
Authors:Piper, D.E., Walker, N., Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
5EDP
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EGFR KINASE (T790M/L858R) APO
Descriptor:Epidermal growth factor receptor
Authors:Eigenbrot, C., Yu, C.
Deposit date:2015-10-21
Release date:2015-12-02
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 26, 2016
5EDQ
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EGFR KINASE (T790M/L858R) WITH INHIBITOR COMPOUND 15: ~{N}-(7-CHLORANYL-1~{H}-INDAZOL-3-YL)-7,7-DIMETHYL-2-(1~{H}-PYRAZOL-4-YL)-5~{H}-FURO[3,4-D]PYRIMIDIN-4-AMINE
Descriptor:Epidermal growth factor receptor, ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine
Authors:Eigenbrot, C., Yu, C.
Deposit date:2015-10-21
Release date:2015-12-02
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 26, 2016
5EDR
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EGFR KINASE (T790M/L858R) WITH INHIBITOR COMPOUND 27: ~{N}-(1~{H}-INDAZOL-3-YL)-7,7-DIMETHYL-2-(2-METHYLPYRAZOL-3-YL)-5~{H}-FURO[3,4-D]PYRIMIDIN-4-AMINE
Descriptor:Epidermal growth factor receptor, ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine
Authors:Eigenbrot, C., Yu, C.
Deposit date:2015-10-21
Release date:2015-12-02
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:4-Aminoindazolyl-dihydrofuro[3,4-d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase.
Bioorg.Med.Chem.Lett., 26, 2016