Author results

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
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
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
5O48
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P.VIVAX NMT WITH AN AMINOMETHYLINDAZOLE INHIBITOR BOUND
Descriptor:Glycylpeptide N-tetradecanoyltransferase, 2-oxopentadecyl-CoA, 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, ...
Authors:Brannigan, J.A., Wilkinson, A.J.
Deposit date:2017-05-26
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O4V
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P.VIVAX NMT WITH AMINOMETHYLINDAZOLE AND QUINOLINE INHIBITORS BOUND
Descriptor:Glycylpeptide N-tetradecanoyltransferase, 2-oxopentadecyl-CoA, 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, ...
Authors:Brannigan, J.A., Wilkinson, A.J.
Deposit date:2017-05-31
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O6H
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HUMAN NMT1 IN COMPLEX WITH MYRISTOYL-COA AND INHIBITOR IMP-917
Descriptor:Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA, PHOSPHATE ION, ...
Authors:Brannigan, J.A., Wilkinson, A.J.
Deposit date:2017-06-06
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
5O6J
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HUMAN NMT1 IN COMPLEX WITH MYRISTOYL-COA AND INHIBITOR IMP-1031
Descriptor:Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA, PHOSPHATE ION, ...
Authors:Brannigan, J.A., Wilkinson, A.J.
Deposit date:2017-06-06
Release date:2018-05-16
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
1FSE
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CRYSTAL STRUCTURE OF THE BACILLUS SUBTILIS REGULATORY PROTEIN GERE
Descriptor:GERE, GLYCEROL, SULFATE ION
Authors:Ducros, V.M.-A., Lewis, R.J., Verma, C.S., Dodson, E.J., Leonard, G., Turkenburg, J.P., Murshudov, G.N., Wilkinson, A.J., Brannigan, J.A.
Deposit date:2000-09-08
Release date:2001-03-21
Last modified:2018-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of GerE, the ultimate transcriptional regulator of spore formation in Bacillus subtilis.
J.Mol.Biol., 306, 2001
1H2G
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ALTERED SUBSTRATE SPECIFICITY MUTANT OF PENICILLIN ACYLASE
Descriptor:PENICILLIN G ACYLASE ALPHA SUBUNIT, PENICILLIN G ACYLASE BETA SUBUNIT, 1,2-ETHANEDIOL, ...
Authors:McVey, C.E., Morillas, M., Brannigan, J.A., Ladurner, A.G., Forney, L.J., Virden, R.
Deposit date:2002-08-08
Release date:2003-07-17
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mutations of Penicillin Acylase Residue B71 Extend Substrate Specificity by Decreasing Steric Constraints for Substrate Binding
Biochem.J., 371, 2003
1T9H
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THE CRYSTAL STRUCTURE OF YLOQ, A CIRCULARLY PERMUTED GTPASE.
Descriptor:Probable GTPase engC, URANYL (VI) ION, ZINC ION, ...
Authors:Levdikov, V.M., Blagova, E.V., Brannigan, J.A., Cladiere, L., Antson, A.A., Isupov, M.N., Seror, S.J., Wilkinson, A.J.
Deposit date:2004-05-17
Release date:2004-11-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of YloQ, a Circularly Permuted GTPase Essential for Bacillus Subtilis Viability.
J.Mol.Biol., 340, 2004
1XOC
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THE STRUCTURE OF THE OLIGOPEPTIDE-BINDING PROTEIN, APPA, FROM BACILLUS SUBTILIS IN COMPLEX WITH A NONAPEPTIDE.
Descriptor:Oligopeptide-binding protein appA, Nonapeptide VDSKNTSSW, ZINC ION
Authors:Levdikov, V.M., Blagova, E.V., Brannigan, J.A., Wright, L., Vagin, A.A., Wilkinson, A.J.
Deposit date:2004-10-06
Release date:2005-01-25
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
2OQC
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CRYSTAL STRUCTURE OF PENICILLIN V ACYLASE FROM BACILLUS SUBTILIS
Descriptor:Penicillin V acylase
Authors:Suresh, C.G., Rathinaswamy, P., Pundle, A.V., Prabhune, A.A., Sivaraman, H., Brannigan, J.A., Dodson, G.G.
Deposit date:2007-01-31
Release date:2008-01-15
Last modified:2014-04-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Penicillin V acylase from Bacillus subtilis
to be published
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
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
3T60
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5'-DIPHENYL NUCLEOSIDE INHIBITORS OF PLASMODIUM FALCIPARUM DUTPASE
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, 2',5'-dideoxy-5'-(tritylamino)uridine, ...
Authors:Hampton, S.E., Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T64
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5'-DIPHENYL NUCLEOSIDE INHIBITORS OF PLASMODIUM FALCIPARUM DUTPASE
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, ...
Authors:Hampton, S.E., Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.
Deposit date:2011-07-28
Release date:2012-08-29
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T6Y
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5'-DIPHENYL NUCLEOSIDE INHIBITORS OF PLASMODIUM FALCIPARUM DUTPASE
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, peptide ALA-HIS-ALA, ...
Authors:Hampton, S.E., Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
3T70
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5'-DIPHENYL NUCLEOSIDE INHIBITORS OF PLASMODIUM FALCIPARUM DUTPASE
Descriptor:Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, PEPTIDE GLY-HIS-GLY, ...
Authors:Hampton, S.E., Baragana, B., Schipani, A., Bosch-Navarrete, C., Musso-Buendia, A., Recio, E., Kaiser, M., Whittingham, J.L., Roberts, S.M., Shevtsov, M., Brannigan, J.A., Kahnberg, P., Brun, R., Wilson, K.S., Gonzalez-Pacanowska, D., Johansson, N.G., Gilbert, I.H.
Deposit date:2011-07-29
Release date:2012-08-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase.
Chemmedchem, 6, 2011
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
1B0N
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SINR PROTEIN/SINI PROTEIN COMPLEX
Descriptor:PROTEIN (SINR PROTEIN), PROTEIN (SINI PROTEIN), ZINC ION
Authors:Lewis, R.J., Brannigan, J.A., Offen, W.A., Smith, I., Wilkinson, A.J.
Deposit date:1998-11-11
Release date:1999-01-13
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An evolutionary link between sporulation and prophage induction in the structure of a repressor:anti-repressor complex.
J.Mol.Biol., 283, 1998
1DZ3
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DOMAIN-SWAPPING IN THE SPORULATION RESPONSE REGULATOR SPO0A
Descriptor:Stage 0 sporulation protein A, SULFATE ION
Authors:Lewis, R.J., Brannigan, J.A., Muchova, K., Leonard, G., Barak, I., Wilkinson, A.J.
Deposit date:2000-02-15
Release date:2000-04-10
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Domain swapping in the sporulation response regulator Spo0A.
J. Mol. Biol., 297, 2000