Author results

5N2L
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CRYSTAL STRUCTURE OF THE SECOND BROMODOMAIN OF HUMAN BRD2 IN COMPLEX WITH A TETRAHYDROQUINOLINE ANALOGUE
Descriptor:Bromodomain-containing protein 2, SULFATE ION, 1,2-ETHANEDIOL, ...
Authors:Tallant, C., Slavish, P.J., Siejka, P., Bharatham, N., Shadrick, W.R., Chai, S., Young, B.M., Boyd, V.A., Heroven, C., Wiggers, H.J., Picaud, S., Fedorov, O., Krojer, T., Chen, T., Lee, R.E., Guy, R.K., Shelat, A.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue
To Be Published
5N2M
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A TETRAHYDROQUINOLINE ANALOGUE
Descriptor:Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate, 1,2-ETHANEDIOL
Authors:Tallant, C., Slavish, P.J., Siejka, P., Bharatham, N., Shadrick, W.R., Chai, S., Young, B.M., Boyd, V.A., Heroven, C., Wiggers, H.J., Picaud, S., Fedorov, O., Krojer, T., Chen, T., Lee, R.E., Guy, R.K., Shelat, A.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2017-02-07
Release date:2018-02-28
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
4KLB
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CRYSTAL STRUCTURE OF CRUZAIN IN COMPLEX WITH THE NON-COVALENT INHIBITOR NEQUIMED176
Descriptor:Cruzipain, 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide
Authors:Fernandes, W.B., Montanari, C.A., Mckerrow, J.H.
Deposit date:2013-05-07
Release date:2013-09-18
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
3KGS
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V30M MUTANT HUMAN TRANSTHYRETIN (TTR) (APOV30M) PH 7.5
Descriptor:Transthyretin
Authors:Trivella, D.B., Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3KGT
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V30M MUTANT HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH GENISTEIN (V30M:GEN) PH 7.5
Descriptor:Transthyretin, GENISTEIN
Authors:Trivella, D.B., Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3KGU
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WILD TYPE HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH GENISTEIN (TTRWT:GEN) PH 7.5
Descriptor:Transthyretin, GENISTEIN
Authors:Trivella, D.B., Polikarpov, I.
Deposit date:2009-10-29
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Conformational differences between the wild type and V30M mutant transthyretin modulate its binding to genistein: implications to tetramer stability and ligand-binding.
J.Struct.Biol., 170, 2010
3MHU
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CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENASE FROM LEISHMANIA MAJOR IN COMPLEX WITH 5-NITROOROTIC ACID
Descriptor:Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, ...
Authors:Pinheiro, M.P., Rocha, J.R., Cheleski, J., Montanari, C.A., Nonato, M.C.
Deposit date:2010-04-08
Release date:2011-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3MJY
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CRYSTAL STRUCTURE OF DIHYDROOROTATE DEHYDROGENASE FROM LEISHMANIA MAJOR IN COMPLEX WITH 5-AMINOOROTIC ACID
Descriptor:Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, ...
Authors:Pinheiro, M.P., Rocha, J.R., Cheleski, J., Montanari, C.A., Nonato, M.C.
Deposit date:2010-04-13
Release date:2011-02-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
5A15
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CRYSTAL STRUCTURE OF THE BTB DOMAIN OF HUMAN KCTD16
Descriptor:BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD16
Authors:Pinkas, D.M., Sanvitale, C.E., Solcan, N., Goubin, S., Canning, P., Dixon Clarke, S.E., Talon, R., Wiggers, H.J., Fitzpatrick, F., Tallant, C., Kopec, J., Chalk, R., Doutch, J., Krojer, T., Burgess-Brown, N.A., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Bullock, A.
Deposit date:2015-04-28
Release date:2015-11-04
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
5E93
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CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NEQ0071
Descriptor:Dihydroorotate dehydrogenase (fumarate), 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, GLYCEROL, ...
Authors:Rocha, J.R., Inaoka, D.K., Cheleski, J., Shiba, T., Harada, S., Montanari, C.A., Kita, K.
Deposit date:2015-10-14
Release date:2016-10-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
5EA9
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CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH NEQ0130
Descriptor:Dihydroorotate dehydrogenase (fumarate), 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione, GLYCEROL, ...
Authors:Rocha, J.R., Inaoka, D.K., Cheleski, J., Shiba, T., Harada, S., Montanari, C.A., Kita, K.
Deposit date:2015-10-15
Release date:2016-10-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity
To be Published
3NEE
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WILD TYPE HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH GC-1 (TTRWT:GC-1)
Descriptor:Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid, GLYCEROL
Authors:Trivella, D.B.B., Polikarpov, I.
Deposit date:2010-06-08
Release date:2010-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition.
J.Struct.Biol., 173, 2011
3NEO
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WILD TYPE HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH GC-24 (TTRWT:GC-24)
Descriptor:Transthyretin, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
Authors:Trivella, D.B.B., Polikarpov, I.
Deposit date:2010-06-09
Release date:2010-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition.
J.Struct.Biol., 173, 2011
3NES
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V30M MUTANT HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH GC-1 (V30M:GC-1)
Descriptor:Transthyretin, {4-[4-hydroxy-3-(1-methylethyl)benzyl]-3,5-dimethylphenoxy}acetic acid, GLYCEROL
Authors:Trivella, D.B.B., Polikarpov, I.
Deposit date:2010-06-09
Release date:2010-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition.
J.Struct.Biol., 173, 2011
3NEX
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V30M MUTANT HUMAN TRANSTHYRETIN (TTR) COMPLEXED WITH GC-24 (V30M:GC-24)
Descriptor:Transthyretin, GLYCEROL, [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID
Authors:Trivella, D.B.B., Polikarpov, I.
Deposit date:2010-06-09
Release date:2010-11-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition.
J.Struct.Biol., 173, 2011