Author results

5EHI
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF287
Descriptor:NS5 methyltransferase dengue virus, S-ADENOSYLMETHIONINE, 4-[[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonylamino]benzoic acid
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.303 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
2UV4
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CRYSTAL STRUCTURE OF A CBS DOMAIN PAIR FROM THE REGULATORY GAMMA1 SUBUNIT OF HUMAN AMPK IN COMPLEX WITH AMP
Descriptor:5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE
Authors:Day, P., Sharff, A., PArra, L., Cleasby, A., Williams, M., Horer, S., Nar, H., Redemann, N., Tickle, I., Yon, J.
Deposit date:2007-03-09
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
4CTJ
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 3A9
Descriptor:NON-STRUCTURAL PROTEIN 5, S-ADENOSYLMETHIONINE, 2,3-dihydro-1-benzofuran-5-carboxylic acid, ...
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2014-03-14
Release date:2014-04-16
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
5EIF
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB2C3
Descriptor:Genome polyprotein, S-ADENOSYLMETHIONINE, 2-azanyl-4-methyl-benzoic acid
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-10-29
Release date:2016-10-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
4CTK
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT 2A4
Descriptor:POLYPROTEIN, S-ADENOSYLMETHIONINE, thieno[2,3-b]pyrazin-7-amine, ...
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2014-03-14
Release date:2014-04-16
Last modified:2017-03-29
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Assessment of Dengue Virus Helicase and Methyltransferase as Targets for Fragment-Based Drug Discovery.
Antiviral Res., 106, 2014
3RF3
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SHIGELLA IPAA-VBS3 IN COMPLEX WITH HUMAN VINCULIN
Descriptor:Vinculin, Invasin ipaA, CACODYLATE ION
Authors:Park, H., Sharff, A., Izard, T.
Deposit date:2011-04-05
Release date:2011-04-27
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Novel vinculin binding site of the IpaA invasin of Shigella.
J.Biol.Chem., 286, 2011
5EIW
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
Descriptor:NS5 methyltransferase, S-ADENOSYLMETHIONINE, 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-10-30
Release date:2016-10-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.611 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
2UV5
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CRYSTAL STRUCTURE OF A CBS DOMAIN PAIR FROM THE REGULATORY GAMMA1 SUBUNIT OF HUMAN AMPK IN COMPLEX WITH AMP
Descriptor:5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE
Authors:Day, P., Sharff, A., Parra, L., Cleasby, A., Williams, M., Horer, S., Nar, H., Redemann, N., Tickle, I., Yon, J.
Deposit date:2007-03-09
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
5EC8
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND COMPOUND BF175
Descriptor:Genome polyprotein, S-ADENOSYLMETHIONINE, 2-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]-4-methyl-benzoic acid
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-10-20
Release date:2016-10-26
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.714 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5EKX
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYLMETHIONINE AND FRAGMENT NB2E11
Descriptor:NS5 METHYLTRANSFERASE, S-ADENOSYLMETHIONINE, 4-chloro-5-methylbenzene-1,2-diamine
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-11-04
Release date:2016-10-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
5E9Q
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF174
Descriptor:Genome polyprotein, S-ADENOSYLMETHIONINE, 2-({[2-amino-4-(trifluoromethyl)phenyl]carbamoyl}amino)-4-methylbenzoic acid
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-10-15
Release date:2016-10-26
Last modified:2018-11-21
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
4D2W
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STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-13
Release date:2014-10-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
3SYU
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RE-REFINED COORDINATES FOR PDB ENTRY 1DET - RIBONUCLEASE T1 CARBOXYMETHYLATED AT GLU 58 IN COMPLEX WITH 2'GMP
Descriptor:Guanyl-specific ribonuclease T1, SODIUM ION, GUANOSINE-2'-MONOPHOSPHATE, ...
Authors:Smart, O.S., Womack, T.O., Bricogne, G.
Deposit date:2011-07-18
Release date:2012-03-28
Last modified:2012-05-02
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploiting structure similarity in refinement: automated NCS and target-structure restraints in BUSTER.
Acta Crystallogr.,Sect.D, 68, 2012
3S90
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HUMAN VINCULIN HEAD DOMAIN VH1 (RESIDUES 1-252) IN COMPLEX WITH MURINE TALIN (VBS33; RESIDUES 1512-1546)
Descriptor:Vinculin, Talin-1
Authors:Yogesha, S.D., Sharff, A., Bricogne, G., Izard, T.
Deposit date:2011-05-31
Release date:2011-06-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Intermolecular versus intramolecular interactions of the vinculin binding site 33 of talin.
Protein Sci., 20, 2011
4UMT
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STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, DIMETHYL SULFOXIDE, 1-(4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}-2-methoxybenzyl)piperazinediium
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-21
Release date:2014-10-22
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
2UV6
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CRYSTAL STRUCTURE OF A CBS DOMAIN PAIR FROM THE REGULATORY GAMMA1 SUBUNIT OF HUMAN AMPK IN COMPLEX WITH AMP
Descriptor:5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE
Authors:Day, P., Sharff, A., Parra, L., Cleasby, A., Williams, M., Horer, S., Nar, H., Redemann, N., Tickle, I., Yon, J.
Deposit date:2007-03-09
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
2UV7
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CRYSTAL STRUCTURE OF A CBS DOMAIN PAIR FROM THE REGULATORY GAMMA1 SUBUNIT OF HUMAN AMPK IN COMPLEX WITH AMP
Descriptor:5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ADENOSINE MONOPHOSPHATE
Authors:Day, P., Sharff, A., Parra, L., Cleasby, A., Williams, M., Horer, S., Nar, H., Redemann, N., Tickle, I., Yon, J.
Deposit date:2007-03-09
Release date:2007-05-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a Cbs-Domain Pair from the Regulatory Gamma1 Subunit of Human Ampk in Complex with AMP and Zmp.
Acta Crystallogr.,Sect.D, 63, 2007
2XYQ
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CRYSTAL STRUCTURE OF THE NSP16 NSP10 SARS CORONAVIRUS COMPLEX
Descriptor:PUTATIVE 2'-O-METHYL TRANSFERASE, NON-STRUCTURAL PROTEIN 10, CHLORIDE ION, ...
Authors:Decroly, E., Debarnot, C., Ferron, F., Bouvet, M., Coutard, B., Imbert, I., Gluais, L., Papageorgiou, N., Ortiz-Lombardia, M., Lescar, J., Canard, B.
Deposit date:2010-11-18
Release date:2011-10-19
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
4UMU
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STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-21
Release date:2014-10-22
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase.
Acs Med.Chem.Lett., 6, 2015
5EHG
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DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND MOLECULE BF341
Descriptor:RNA-directed RNA polymerase NS5, S-ADENOSYLMETHIONINE, 4-[3-[(2-azanyl-4-chloranyl-phenyl)carbamoylamino]phenyl]sulfonyloxybenzoic acid
Authors:Barral, K., Bricogne, G., Sharff, A.
Deposit date:2015-10-28
Release date:2016-10-26
Last modified:2017-09-06
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery of novel dengue virus NS5 methyltransferase non-nucleoside inhibitors by fragment-based drug design.
Eur.J.Med.Chem., 125, 2016
2XQY
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CRYSTAL STRUCTURE OF PSEUDORABIES CORE FRAGMENT OF GLYCOPROTEIN H IN COMPLEX WITH FAB D6.3
Descriptor:ENVELOPE GLYCOPROTEIN H, A13-D6.3 MONOCLONAL ANTIBODY, N-ACETYL-D-GLUCOSAMINE
Authors:Backovic, M., Dubois, R., Cockburn, J., Sharff, A., Vaney, M., Granzow, H., Klupp, B., Bricogne, G., Mettenleiter, T., Rey, F.
Deposit date:2010-09-08
Release date:2010-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of a Core Fragment of Glycoprotein H from Pseudorabies Virus in Complex with Antibody.
Proc.Natl.Acad.Sci.USA, 107, 2010
2XYV
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CRYSTAL STRUCTURE OF THE NSP16 NSP10 SARS CORONAVIRUS COMPLEX
Descriptor:PUTATIVE 2'-O-METHYL TRANSFERASE, NON-STRUCTURAL PROTEIN 10, SODIUM ION, ...
Authors:Decroly, E., Debarnot, C., Ferron, F., Bouvet, M., Coutard, B., Imbert, I., Gluais, L., Papageorgiou, N., Ortiz-Lombardia, M., Lescar, J., Canard, B.
Deposit date:2010-11-19
Release date:2011-10-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure and Functional Analysis of the Sars-Coronavirus RNA CAP 2'-O-Methyltransferase Nsp10/Nsp16 Complex.
Plos Pathog., 7, 2011
1EK9
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2.1A X-RAY STRUCTURE OF TOLC: AN INTEGRAL OUTER MEMBRANE PROTEIN AND EFFLUX PUMP COMPONENT FROM ESCHERICHIA COLI
Descriptor:OUTER MEMBRANE PROTEIN TOLC
Authors:Koronakis, V., Sharff, A.J., Koronakis, E., Luisi, B., Hughes, C.
Deposit date:2000-03-07
Release date:2000-06-28
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the bacterial membrane protein TolC central to multidrug efflux and protein export.
Nature, 405, 2000
2XEM
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INDUCED-FIT AND ALLOSTERIC EFFECTS UPON POLYENE BINDING REVEALED BY CRYSTAL STRUCTURES OF THE DYNEMICIN THIOESTERASE
Descriptor:DYNE7, (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one
Authors:Liew, C.W., Sharff, A., Kotaka, M., Kong, R., Bricogne, G., Liang, Z.X., Lescar, J.
Deposit date:2010-05-17
Release date:2010-10-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Induced-Fit Upon Ligand Binding Revealed by Crystal Structures of the Hot-Dog Fold Thioesterase in Dynemicin Biosynthesis.
J.Mol.Biol., 404, 2010
4UMP
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STRUCTURE OF MELK IN COMPLEX WITH INHIBITORS
Descriptor:MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, 3-(isoquinolin-7-yl)prop-2-yn-1-ol
Authors:Johnson, C.N., Berdini, V., Beke, L., Bonnet, P., Brehmer, D., Coyle, J.E., Day, P.J., Frederickson, M., Freyne, E.J.E., Gilissen, R.A.H.J., Hamlett, C.C.F., Howard, S., Meerpoel, L., McMenamin, R., Patel, S., Rees, D.C., Sharff, A., Sommen, F., Wu, T., Linders, J.T.M.
Deposit date:2014-05-20
Release date:2014-10-08
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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