Author results

3E62
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
Descriptor:Tyrosine-protein kinase JAK2, 5-bromo-1H-indazol-3-amine
Authors:Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.922 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E63
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
Descriptor:Tyrosine-protein kinase JAK2, 5-phenyl-1H-indazol-3-amine
Authors:Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3E64
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FRAGMENT BASED DISCOVERY OF JAK-2 INHIBITORS
Descriptor:Tyrosine-protein kinase JAK2, 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide
Authors:Antonysamy, S., Fang, W., Hirst, G., Park, F., Russell, M., Smyth, L., Sprengeler, P., Stappenbeck, F., Steensma, R., Thompson, D.A., Wilson, M., Wong, M., Zhang, A., Zhang, F.
Deposit date:2008-08-14
Release date:2008-10-14
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
2OZR
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MMP13 CATALYTIC DOMAIN COMPLEXED WITH 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Johnson, A.R., Pavlovsky, A.G., Ortwine, D.F., Prior, F., Man, C.-F., Bornemeier, D.A., Banotai, C.A., Mueller, W.T., McConnell, P., Yan, C.H., Baragi, V., Lesch, C., Roark, W.H., Lie, J.J., Fasquelle, V., Wilson, M., Robertson, D., Datta, K., Guzman, R., Han, H.-K., Dyer, R.D.
Deposit date:2007-02-27
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
4PDJ
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NEUTRON CRYSTAL STRUCTURE OF E.COLI DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND NADP+
Descriptor:Dihydrofolate reductase, MANGANESE (II) ION, DIHYDROFOLIC ACID, ...
Authors:Wan, Q., Kovalevsky, A.Y., Wilson, M., Langan, P., Dealwis, C., Bennett, B.
Deposit date:2014-04-18
Release date:2015-04-15
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.599 Å), NEUTRON DIFFRACTION
Cite:Toward resolving the catalytic mechanism of dihydrofolate reductase using neutron and ultrahigh-resolution X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 111, 2014
6S41
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CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
Descriptor:Nuclear receptor subfamily 1 group I member 2, 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Authors:Focken, T., Maskos, K., Griessner, A., Krapp, S.
Deposit date:2019-06-26
Release date:2019-10-02
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
J.Med.Chem., 62, 2019
2OW9
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CRYSTAL STRUCTURE ANALYSIS OF THE MMP13 CATALYTIC DOMAIN IN COMPLEX WITH SPECIFIC INHIBITOR
Descriptor:Collagenase 3, ZINC ION, CALCIUM ION, ...
Authors:Pavlovsky, A.G.
Deposit date:2007-02-15
Release date:2007-02-27
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282, 2007
3DNG
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-02
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPE
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009
3DPF
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CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN MMP-8 AND A NON-ZINC CHELATING INHIBITOR
Descriptor:Neutrophil collagenase, CALCIUM ION, ZINC ION, ...
Authors:Pochetti, G., Montanari, R., Mazza, F.
Deposit date:2008-07-08
Release date:2009-03-03
Last modified:2017-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
J.Med.Chem., 52, 2009