5A27
 
 | | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,2,4-oxadiazole inhibitor. | | Descriptor: | 5-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 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 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
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5A28
 | | Leishmania major N-myristoyltransferase in complex with a chlorophenyl 1,3,4-oxadiazole inhibitor. | | Descriptor: | 4-(4-chloro-2-{5-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}phenoxy)piperidine, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 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 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of High Affinity Inhibitors of Leishmania Donovani N-Myristoyltransferase.
Medchemcomm, 6, 2015
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4CGN
 | | Leishmania major N-myristoyltransferase in complex with a piperidinylindole inhibitor | | Descriptor: | 2-(4-fluorophenyl)-N-(3-piperidin-4-yl-1H-indol-5-yl)ethanamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 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: | 2024-05-08 | | 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
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4CGL
 | | Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor | | Descriptor: | (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 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: | 2024-05-08 | | 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
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1KT1
 | | 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: | 2024-02-14 | | 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
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1KT0
 | | 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: | 2024-02-14 | | 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
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4BAS
 | | 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: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Small Gtpase Arl6/Bbs3 from Trypanosomabrucei.
Protein Sci., 22, 2013
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4CYN
 | | Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b) | | Descriptor: | (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CYQ
 | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CYO
 | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CGM
 | | 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: | 2024-05-08 | | 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
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4CGP
 | | Leishmania major N-myristoyltransferase in complex with cofactor | | 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: | 2024-05-08 | | 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
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4CYP
 | | Leishmania major N-myristoyltransferase in complex with a pyrrolidine inhibitor. | | Descriptor: | (3R)-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-3-hydroxybutan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 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: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4CGO
 | | Leishmania major N-myristoyltransferase in complex with a thienopyrimidine inhibitor | | Descriptor: | 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, 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: | 2024-05-08 | | 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
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4DRR
 | | 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: | 2023-09-13 | | 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
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4DS0
 | | Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen | | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 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: | 2023-09-13 | | 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
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4DRV
 | | Cell attachment protein VP8* of a human rotavirus specifically interacts with A-type histo-blood group antigen | | Descriptor: | Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose | | 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: | 2023-09-13 | | 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
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3DWA
 | | Crystal structure of the B-subunit of the AB5 toxin from E. coli | | Descriptor: | PENTAETHYLENE GLYCOL, Subtilase cytotoxin, subunit B | | 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
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3DWP
 | | Crystal structure of the B-subunit of the AB5 toxin from E. Coli with Neu5Gc | | Descriptor: | N-glycolyl-alpha-neuraminic acid, PENTAETHYLENE GLYCOL, Subtilase cytotoxin, ... | | 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: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
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3DWQ
 | | Crystal structure of the A-subunit of the AB5 toxin from E. coli with Neu5Gc-2,3Gal-1,3GlcNAc | | Descriptor: | AZIDE ION, N-PROPANOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | | 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: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Incorporation of a non-human glycan mediates human susceptibility to a bacterial toxin
Nature, 456, 2008
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2WUU
 | | Structure of N-myristoyltransferase from L. donovani | | Descriptor: | 2-oxopentadecyl-CoA, N-MYRISTOYLTRANSFERASE | | 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: | 2023-12-20 | | 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
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2WNP
 | | M-ficolin mutant Y271F | | Descriptor: | CALCIUM ION, FICOLIN-1, 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: | 2023-12-13 | | 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
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2X43
 | | 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: | 2024-05-15 | | 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
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4RZC
 | | Fv M6P-1 in complex with mannose-6-phosphate | | Descriptor: | 6-O-phosphono-alpha-D-mannopyranose, Fv M6P-1 heavy chain, Fv M6P-1 light chain, ... | | Authors: | Blackler, R.J, Evans, D.W, Evans, S.V, Muller-Loennies, S. | | Deposit date: | 2014-12-19 | | Release date: | 2015-11-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.723 Å) | | Cite: | Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishes N-glycan phosphorylation in a branch-specific manner.
Glycobiology, 26, 2016
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7RSW
 | | Crystal structure of group B human rotavirus VP8* | | Descriptor: | Outer capsid protein VP4, peptide | | Authors: | Hu, L, Salmen, W, Sankaran, B, Prasad, B.V. | | Deposit date: | 2021-08-11 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Novel fold of rotavirus glycan-binding domain predicted by AlphaFold2 and determined by X-ray crystallography.
Commun Biol, 5, 2022
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