Author results

1Y6A
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 2-ANILINO-5-ARYL-OXAZOLE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE
Authors:Harris, P.A., Cheung, M., Hunter, R.N., Brown, M.L., Veal, J.M., Nolte, R.T., Wang, L., Liu, W., Crosby, R.M., Johnson, J.H., Epperly, A.H., Kumar, R., Luttrell, D.K., Stafford, J.A.
Deposit date:2004-12-05
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1Y6B
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 2-ANILINO-5-ARYL-OXAZOLE INHIBITOR
Descriptor:Vascular endothelial growth factor receptor 2, N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE
Authors:Harris, P.A., Cheung, M., Hunter, R.N., Brown, M.L., Veal, J.M., Nolte, R.T., Wang, L., Liu, W., Crosby, R.M., Johnson, J.H., Epperly, A.H., Kumar, R., Luttrell, D.K., Stafford, J.A.
Deposit date:2004-12-05
Release date:2005-06-07
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
2ONC
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CRYSTAL STRUCTURE OF HUMAN DPP-4
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE
Authors:Feng, J., Zhang, Z., Wallace, M.B., Stafford, J.A., Kaldor, S.W., Kassel, D.B., Navre, M., Shi, L., Skene, R.J., Asakawa, T., Takeuchi, K., Xu, R., Webb, D.R., Gwaltney, S.L.
Deposit date:2007-01-23
Release date:2008-03-04
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.
J.Med.Chem., 50, 2007
3G0B
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH TAK-322
Descriptor:Dipeptidyl peptidase 4, N-ACETYL-D-GLUCOSAMINE, 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
Authors:Zhang, Z., Wallace, M.B., Feng, J., Stafford, J.A., Kaldor, S.W., Shi, L., Skene, R.J., Aertgeerts, K., Lee, B., Jennings, A., Xu, R., Kassel, D., Webb, D.R., Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2016-04-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
3G0C
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A PYRIMIDINEDIONE INHIBITOR 1
Descriptor:Dipeptidyl peptidase 4, 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione, N-ACETYL-D-GLUCOSAMINE
Authors:Zhang, Z., Wallace, M.B., Feng, J., Stafford, J.A., Kaldor, S.W., Shi, L., Skene, R.J., Aertgeerts, K., Lee, B., Jennings, A., Xu, R., Kassel, D., Webb, D.R., Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
3G0D
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A PYRIMIDINEDIONE INHIBITOR 2
Descriptor:Dipeptidyl peptidase 4, 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE, N-ACETYL-D-GLUCOSAMINE
Authors:Zhang, Z., Wallace, M.B., Feng, J., Stafford, J.A., Kaldor, S.W., Shi, L., Skene, R.J., Aertgeerts, K., Lee, B., Jennings, A., Xu, R., Kassel, D., Webb, D.R., Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
3G0G
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CRYSTAL STRUCTURE OF DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A PYRIMIDINONE INHIBITOR 3
Descriptor:Dipeptidyl peptidase 4, 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, N-ACETYL-D-GLUCOSAMINE
Authors:Zhang, Z., Wallace, M.B., Feng, J., Stafford, J.A., Kaldor, S.W., Shi, L., Skene, R.J., Aertgeerts, K., Lee, B., Jennings, A., Xu, R., Kassel, D., Webb, D.R., Gwaltney, S.L.
Deposit date:2009-01-27
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
3CJF
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 3,4,5-TRIMETHOXY ANILINE CONTAINING PYRIMIDINE
Descriptor:Vascular endothelial growth factor receptor 2, SULFATE ION, N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Authors:Nolte, R.T.
Deposit date:2008-03-12
Release date:2008-10-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
3CJG
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CRYSTAL STRUCTURE OF VEGFR2 IN COMPLEX WITH A 3,4,5-TRIMETHOXY ANILINE CONTAINING PYRIMIDINE
Descriptor:Vascular endothelial growth factor receptor 2, SULFATE ION, N~4~-methyl-N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
Authors:Nolte, R.T.
Deposit date:2008-03-12
Release date:2008-10-07
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.
J.Med.Chem., 51, 2008
4G1F
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CRYSTAL STRUCTURE OF HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A PYRIDOPYRIMIDINEDIONE ANALOGUE
Descriptor:Dipeptidyl peptidase 4, 7-amino-6-(aminomethyl)-5-(2-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, N-ACETYL-D-GLUCOSAMINE
Authors:Skene, R.J., Gwaltney, S.L.
Deposit date:2012-07-10
Release date:2013-02-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
5VGI
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CRYSTAL STRUCTURE OF KDM4 WITH THE SMALL MOLECULE INHIBITOR QC6352
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Hosfield, D.J.
Deposit date:2017-04-11
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
5VMP
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CRYSTAL STRUCTURE OF HUMAN KDM4 WITH SMALL MOLECULE INHIBITOR QC5714
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Hosfield, D.J.
Deposit date:2017-04-28
Release date:2017-09-27
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.
ACS Med Chem Lett, 8, 2017
6CG1
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CRYSTAL STRUCTURE OF KDM4A WITH COMPOUND 14
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Hosfield, D.J., Nie, Z.
Deposit date:2018-02-19
Release date:2018-04-18
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CG2
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CRYSTAL STRUCTURE OF KDM4A WITH COMPOUND 8
Descriptor:Lysine-specific demethylase 4A, NICKEL (II) ION, ZINC ION, ...
Authors:Hosfield, D.J., Nie, Z.
Deposit date:2018-02-19
Release date:2018-04-18
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure-based design and discovery of potent and selective KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CKR
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CRYSTAL STRUCTURE OF BRD4 WITH QC4956
Descriptor:Bromodomain-containing protein 4, N-{3-[2-methyl-6-(1-methyl-1H-pyrazol-4-yl)-1-oxo-1,2-dihydroisoquinolin-4-yl]phenyl}methanesulfonamide
Authors:Hosfield, D.J.
Deposit date:2018-02-28
Release date:2018-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
6CKS
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CRYSTAL STRUCTURE OF BRD4 WITH QC4956
Descriptor:Bromodomain-containing protein 4, 4-[5-(ethylsulfonyl)-2-methoxyphenyl]-2-methyl-6-(1-methyl-1H-pyrazol-4-yl)isoquinolin-1(2H)-one
Authors:Hosfield, D.J.
Deposit date:2018-02-28
Release date:2018-05-02
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Design, synthesis and biological evaluation of novel 4-phenylisoquinolinone BET bromodomain inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018