Author results

2WUU
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STRUCTURE OF N-MYRISTOYLTRANSFERASE FROM L. DONOVANI
Descriptor:N-MYRISTOYLTRANSFERASE, 2-oxopentadecyl-CoA
Authors:Brannigan, J.A., Smith, B.A., Yu, Z., Hodgkinson, M.R., Leatherbarrow, R.J., Tate, E.W., Brzozowski, A.M., Smith, D.F., Wilkinson, A.J.
Deposit date:2009-10-09
Release date:2009-12-01
Last modified:2012-07-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:N-Myristoyltransferase from Leishmania Donovani: Structural and Functional Characterisation of a Potential Drug Target for Visceral Leishmaniasis.
J.Mol.Biol., 396, 2010
4CGL
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH AN AMINOACYLPYRROLIDINE INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, ...
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CGN
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A PIPERIDINYLINDOLE INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, ...
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
1KT0
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STRUCTURE OF THE LARGE FKBP-LIKE PROTEIN, FKBP51, INVOLVED IN STEROID RECEPTOR COMPLEXES
Descriptor:51 KDA FK506-BINDING PROTEIN, SULFATE ION
Authors:Sinars, C.R., Cheung-Flynn, J., Rimerman, R.A., Scammell, J.G., Smith, D.F., Clardy, J.C.
Deposit date:2002-01-14
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the large FK506-binding protein FKBP51, an Hsp90-binding protein and a component of steroid receptor complexes
Proc.Natl.Acad.Sci.USA, 100, 2003
1KT1
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STRUCTURE OF THE LARGE FKBP-LIKE PROTEIN, FKBP51, INVOLVED IN STEROID RECEPTOR COMPLEXES
Descriptor:FK506-binding protein FKBP51, SULFATE ION
Authors:Sinars, C.R., Cheung-Flynn, J., Rimerman, R.A., Scammell, J.G., Smith, D.F., Clardy, J.C.
Deposit date:2002-01-14
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:STRUCTURE OF THE LARGE FK506-BINDING PROTEIN FKBP51, AN HSP90-BINDING PROTEIN AND A COMPONENT OF STEROID RECEPTOR COMPLEXES
Proc.Natl.Acad.Sci.USA, 100, 2003
2WNP
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M-FICOLIN MUTANT Y271F
Descriptor:FICOLIN-1, CALCIUM ION, ISOPROPYL ALCOHOL
Authors:Gout, E., Garlatti, V., Smith, D.F., Lacroix, M., Dumestre-Perard, C., Lunardi, T., Arlaud, G.J., Gaboriaud, C., Thielens, N.M.
Deposit date:2009-07-16
Release date:2009-12-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Carbohydrate Recognition Properties of Human Ficolins: Glycan Array Screening Reveals the Sialic Acid Binding Specificity of M-Ficolin.
J.Biol.Chem., 285, 2010
2X43
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STRUCTURAL BASIS OF MOLECULAR RECOGNITION BY SHERP AT MEMBRANE SURFACES
Descriptor:SHERP
Authors:Moore, B., Miles, A.J., Guerra, C.G., Simpson, P., Iwata, M., Wallace, B.A., Matthews, S.J., Smith, D.F., Brown, K.A.
Deposit date:2010-02-09
Release date:2010-11-24
Last modified:2017-04-19
Method:SOLUTION NMR
Cite:Structural Basis of Moelcular Recognition by the Leishmania Small Hydrophilic Endoplasmic Reticulum-Associated Protein, Sherp, at Membrane Surfaces
J.Biol.Chem., 286, 2011
3DWA
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CRYSTAL STRUCTURE OF THE B-SUBUNIT OF THE AB5 TOXIN FROM E. COLI
Descriptor:Subtilase cytotoxin, subunit B, PENTAETHYLENE GLYCOL
Authors:Byres, E., Paton, A.W., Paton, J.C., Lofling, J.C., Smith, D.F., Wilce, M.C.J., Talbot, U.M., Chong, D.C., Yu, H., Huang, S., Chen, X., Varki, N.M., Varki, A., Rossjohn, J., Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.084 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWP
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CRYSTAL STRUCTURE OF THE B-SUBUNIT OF THE AB5 TOXIN FROM E. COLI WITH NEU5GC
Descriptor:Subtilase cytotoxin, subunit B, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ...
Authors:Byres, E., Paton, A.W., Paton, J.C., Lofling, J.C., Smith, D.F., Wilce, M.C.J., Talbot, U.M., Chong, D.C., Yu, H., Huang, S., Chen, X., Varki, N.M., Varki, A., Rossjohn, J., Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
3DWQ
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CRYSTAL STRUCTURE OF THE A-SUBUNIT OF THE AB5 TOXIN FROM E. COLI WITH NEU5GC-2,3GAL-1,3GLCNAC
Descriptor:Subtilase cytotoxin, subunit B, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, ...
Authors:Byres, E., Paton, A.W., Paton, J.C., Lofling, J.C., Smith, D.F., Wilce, M.C.J., Talbot, U.M., Chong, D.C., Yu, H., Huang, S., Chen, X., Varki, N.M., Varki, A., Rossjohn, J., Beddoe, T.
Deposit date:2008-07-22
Release date:2008-11-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
4BAS
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STRUCTURE OF THE ARL6 BBS3 SMALL GTPASE FROM TRYPANOSOMA BRUCEI WITH BOUND NUCLEOTIDE ANALOGUE GPPNP
Descriptor:ADP-RIBOSYLATION FACTOR, PUTATIVE (SMALL GTPASE, PUTATIVE), ...
Authors:Hemsworth, G.R., Price, H.P., Smith, D.F., Wilson, K.S.
Deposit date:2012-09-15
Release date:2012-12-12
Last modified:2013-02-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Small Gtpase Arl6/Bbs3 from Trypanosomabrucei.
Protein Sci., 22, 2013
4CGM
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A BIPHENYL- DERIVATIVE INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-[[3-[3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ylmethyl)phenyl]phenyl]methyl]-2-pyridin-3-yl-ethanamine, ...
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CGO
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A THIENOPYRIMIDINE INHIBITOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, TETRADECANOYL-COA, ...
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CGP
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH COFACTOR
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, MAGNESIUM ION
Authors:Brannigan, J.A., Roberts, S.M., Bell, A.S., Hutton, J.A., Smith, D.F., Tate, E.W., Leatherbarrow, R.J., Wilkinson, A.J.
Deposit date:2013-11-25
Release date:2014-07-09
Last modified:2014-08-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CYN
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH AN AMINOACYLPYRROLIDINE INHIBITOR (2B)
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CYO
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A HYBRID INHIBITOR (COMPOUND 21).
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CYP
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A PYRROLIDINE INHIBITOR.
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-22
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4CYQ
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A HYBRID INHIBITOR (COMPOUND 45).
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide, ...
Authors:Hutton, J.A., Goncalves, V., Brannigan, J.A., Paape, D., Waugh, T., Roberts, S.M., Bell, A.S., Wilkinson, A.J., Smith, D.F., Leatherbarrow, R.J., Tate, E.W.
Deposit date:2014-04-14
Release date:2014-10-01
Last modified:2014-11-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
4DRR
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CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICALLY INTERACTS WITH A-TYPE HISTO-BLOOD GROUP ANTIGEN
Descriptor:Outer capsid protein VP4, SODIUM ION
Authors:Hu, L., Crawford, S.E., Czako, R., Cortes-Penfield, N.W., Smith, D.F., Le Pendu, J., Estes, M.K., Prasad, B.V.V.
Deposit date:2012-02-17
Release date:2012-04-11
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen.
Nature, 485, 2012
4DRV
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CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICALLY INTERACTS WITH A-TYPE HISTO-BLOOD GROUP ANTIGEN
Descriptor:Outer capsid protein VP4, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, ALPHA D-GALACTOSE, ...
Authors:Hu, L., Crawford, S.E., Czako, R., Cortes-Penfield, N.W., Smith, D.F., Le Pendu, J., Estes, M.K., Prasad, B.V.V.
Deposit date:2012-02-17
Release date:2012-04-11
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen.
Nature, 485, 2012
4DS0
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CELL ATTACHMENT PROTEIN VP8* OF A HUMAN ROTAVIRUS SPECIFICALLY INTERACTS WITH A-TYPE HISTO-BLOOD GROUP ANTIGEN
Descriptor:Outer capsid protein VP4, N-ACETYL-2-DEOXY-2-AMINO-GALACTOSE, BETA-D-GALACTOSE, ...
Authors:Hu, L., Crawford, S.E., Czako, R., Cortes-Penfield, N.W., Smith, D.F., Le Pendu, J., Estes, M.K., Prasad, B.V.V.
Deposit date:2012-02-17
Release date:2012-04-11
Last modified:2012-05-23
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen.
Nature, 485, 2012
5A27
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A CHLOROPHENYL 1,2,4-OXADIAZOLE INHIBITOR.
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, ...
Authors:Rackham, M.D., Yu, Z., Brannigan, J.A., Heal, W.P., Paape, D., Barker, K.V., Wilkinson, A.J., Smith, D.F., Tate, E.W., Leatherbarrow, R.J.
Deposit date:2015-05-15
Release date:2016-03-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
5A28
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LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE IN COMPLEX WITH A CHLOROPHENYL 1,3,4-OXADIAZOLE INHIBITOR.
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, ...
Authors:Rackham, M.D., Yu, Z., Brannigan, J.A., Heal, W.P., Paape, D., Barker, K.V., Wilkinson, A.J., Smith, D.F., Tate, E.W., Leatherbarrow, R.J.
Deposit date:2015-05-15
Release date:2016-03-23
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
2WSA
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CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND (DDD85646)
Descriptor:GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA, 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
Authors:Robinson, D.A., Brand, S., Fairlamb, A.H., Ferguson, M.A.J., Frearson, J.A., Wyatt, P.G., Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2010-03-23
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:N-Myristoyltransferase Inhibitors as New Leads to Treat Sleeping Sickness.
Nature, 464, 2010
2LHV
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MUCIN SEQUENCE BASED ON MUC2 MUCIN GLYCOPROTEIN TANDEM REPEAT
Descriptor:MUC2 Mucin Domain Peptide
Authors:Borgert, A., Heimburg-Molinaro, J., Lasanajak, Y., Ju, T., Liu, M., Thompson, P., Ragupathi, G., Barany, G., Cummings, R., Smith, D., Live, D.
Deposit date:2011-08-18
Release date:2012-04-04
Last modified:2012-06-27
Method:SOLUTION NMR
Cite:Deciphering structural elements of mucin glycoprotein recognition.
Acs Chem.Biol., 7, 2012
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