Author results

1P7N
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DIMERIC ROUS SARCOMA VIRUS CAPSID PROTEIN STRUCTURE WITH AN UPSTREAM 25-AMINO ACID RESIDUE EXTENSION OF C-TERMINAL OF GAG P10 PROTEIN
Descriptor:GAG POLYPROTEIN CAPSID PROTEIN P27
Authors:Nandhagopal, N., Simpson, A.A., Johnson, M.C., Francisco, A.B., Schatz, G.W., Rossmann, M.G., Vogt, V.M.
Deposit date:2003-05-02
Release date:2003-12-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Dimeric rous sarcoma virus capsid protein structure relevant to immature gag assembly
J.Mol.Biol., 335, 2004
4APP
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CRYSTAL STRUCTURE OF THE HUMAN P21-ACTIVATED KINASE 4 IN COMPLEX WITH (S)-N-(5-(3-BENZYL-1-METHYLPIPERAZINE-4-CARBONYL)-6,6-DIMETHYL-1,4,5, 6-TETRAHYDROPYRROLO(3,4-C)PYRAZOL-3-YL)-3-PHENOXYBENZAMIDE
Descriptor:SERINE/THREONINE-PROTEIN KINASE PAK 4, N-[6,6-dimethyl-5-[(2S)-4-methyl-2-(phenylmethyl)piperazin-1-yl]carbonyl-2,4-dihydropyrrolo[3,4-c]pyrazol-3-yl]-3-phenoxy-benzamide, GLYCEROL
Authors:Knighton, D.D., Deng, Y.L., Wang, C., Guo, C., McAlpine, I., Zhang, J., Kephart, S., Johnson, M.C., Li, H., Bouzida, D., Yang, A., Dong, L., Marakovits, J., Tikhe, J., Richardson, P., Guo, L.C., Kania, R., Edwards, M.P., Kraynov, E., Christensen, J., Piraino, J., Lee, J., Dagostino, E., Del-Carmen, C., Smeal, T., Murray, B.W.
Deposit date:2012-04-04
Release date:2012-06-06
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Pyrroloaminopyrazoles as Novel Pak Inhibitors.
J.Med.Chem., 55, 2012
3SC1
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NOVEL ISOQUINOLONE PDK1 INHIBITORS DISCOVERED THROUGH FRAGMENT-BASED LEAD DISCOVERY
Descriptor:3-phosphoinositide-dependent protein kinase 1, 6-[2-(hydroxymethyl)phenyl]isoquinolin-1(2H)-one, SULFATE ION, ...
Authors:Greasley, S.E., Ferre, R.-A., Krauss, M., Cronin, C.
Deposit date:2011-06-06
Release date:2011-10-26
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel isoquinolone PDK1 inhibitors discovered through fragment-based lead discovery.
J Comput Aided Mol Des, 25, 2011
3EKO
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DIHYDROXYLPHENYL AMIDES AS INHIBITORS OF THE HSP90 MOLECULAR CHAPERONE
Descriptor:Heat shock protein HSP 90-alpha, 2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2008-09-19
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18, 2008
3EKR
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DIHYDROXYLPHENYL AMIDES AS INHIBITORS OF THE HSP90 MOLECULAR CHAPERONE
Descriptor:Heat shock protein HSP 90-alpha, 4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol, PHOSPHATE ION
Authors:Gajiwala, K.S.
Deposit date:2008-09-19
Release date:2008-11-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone.
Bioorg.Med.Chem.Lett., 18, 2008
3I6C
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STRUCTURE-BASED DESIGN OF NOVEL PIN1 INHIBITORS (II)
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
Authors:Greasley, S.E., Ferre, R.A.
Deposit date:2009-07-06
Release date:2010-04-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
3IK8
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STRUCTURE-BASED DESIGN OF NOVEL PIN1 INHIBITORS (I)
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
Authors:Matthews, D., Greasley, S., Ferre, R.A., Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IKD
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STRUCTURE-BASED DESIGN OF NOVEL PIN1 INHIBITORS (I)
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-phenylpropyl phosphate
Authors:Matthews, D., Greasley, S., Ferre, R., Parge, H.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3IKG
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STRUCTURE-BASED DESIGN OF NOVEL PIN1 INHIBITORS (I)
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, (2R)-2-[(1-benzothiophen-2-ylcarbonyl)amino]-3-(3-methylphenyl)propyl phosphate
Authors:Parge, H., Ferre, R.A., Greasley, S., Matthews, D.
Deposit date:2009-08-05
Release date:2009-09-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (I).
Bioorg.Med.Chem.Lett., 19, 2009
3JYJ
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STRUCTURE-BASED DESIGN OF NOVEL PIN1 INHIBITORS (II)
Descriptor:Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, (2R,4E)-2-[(naphthalen-2-ylcarbonyl)amino]-5-phenylpent-4-enoic acid
Authors:Greasley, S.E., Ferre, R.A.
Deposit date:2009-09-21
Release date:2010-04-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-based design of novel human Pin1 inhibitors (II).
Bioorg.Med.Chem.Lett., 20, 2010
6BHR
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HIV-1 IMMATURE CTD-SP1 HEXAMER IN COMPLEX WITH IP6
Descriptor:Capsid protein p24,Spacer peptide 1, INOSITOL HEXAKISPHOSPHATE
Authors:Zadrozny, K., Wagner, J.M., Ganser-Pornillos, B.K., Pornillos, O.
Deposit date:2017-10-31
Release date:2018-08-08
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.908 Å)
Cite:Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
6BHS
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HIV-1 CA HEXAMER IN COMPLEX WITH IP6, HEXAGONAL CRYSTAL FORM
Descriptor:Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadrozny, K., Wagner, J.M., Ganser-Pornillos, B.K., Pornillos, O.
Deposit date:2017-10-31
Release date:2018-08-01
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
6BHT
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HIV-1 CA HEXAMER IN COMPLEX WITH IP6, ORTHORHOMBIC CRYSTAL FORM
Descriptor:Capsid protein p24, INOSITOL HEXAKISPHOSPHATE
Authors:Zadrozny, K., Wagner, J.M., Ganser-Pornillos, B.K., Pornillos, O.
Deposit date:2017-10-31
Release date:2018-08-01
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.689 Å)
Cite:Inositol phosphates are assembly co-factors for HIV-1.
Nature, 560, 2018
6EGC
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SINGLE-CHAIN VERSION OF 2L4HC2_23 (PDB 5J0K)
Descriptor:SC_2L4HC2_23
Authors:Bick, M.J., Chen, Z., DiMaio, F.
Deposit date:2018-08-19
Release date:2019-05-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Self-Assembling 2D Arrays with de Novo Protein Building Blocks.
J.Am.Chem.Soc., 2019