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4CGM
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BU of 4cgm by Molmil
Leishmania major N-myristoyltransferase in complex with a biphenyl- derivative inhibitor
分子名称: 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, ...
著者Brannigan, J.A, Roberts, S.M, Bell, A.S, Hutton, J.A, Smith, D.F, Tate, E.W, Leatherbarrow, R.J, Wilkinson, A.J.
登録日2013-11-25
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Diverse Modes of Binding in Structures of Leishmania Major N-Myristoyltransferase with Selective Inhibitors
Iucrj, 1, 2014
4CYN
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BU of 4cyn by Molmil
Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b)
分子名称: (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, ...
著者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.
登録日2014-04-14
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
6QP3
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BU of 6qp3 by Molmil
Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168)
分子名称: ACETATE ION, Cystathionine beta-lyase PatB, PYRIDOXAL-5'-PHOSPHATE
著者Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
6QP1
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BU of 6qp1 by Molmil
Crystal structure of the PLP-bound C-S lyase in the external aldimine form from Staphylococcus hominis complexed with an inhibitor, L-cycloserine.
分子名称: Aminotransferase, [5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
著者Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
6QP2
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BU of 6qp2 by Molmil
Crystal structure of the PLP-bound C-S lyase from Staphylococcus hominis
分子名称: Aminotransferase, PYRIDOXAL-5'-PHOSPHATE, Polyhistidine tag
著者Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H.
登録日2019-02-13
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
6TAA
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BU of 6taa by Molmil
STRUCTURE AND MOLECULAR MODEL REFINEMENT OF ASPERGILLUS ORYZAE (TAKA) ALPHA-AMYLASE: AN APPLICATION OF THE SIMULATED-ANNEALING METHOD
分子名称: ALPHA-AMYLASE, CALCIUM ION
著者Swift, H.J, Brady, L, Derewenda, Z.S, Dodson, E.J, Turkenburg, J.P, Wilkinson, A.J.
登録日1992-08-21
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and molecular model refinement of Aspergillus oryzae (TAKA) alpha-amylase: an application of the simulated-annealing method.
Acta Crystallogr.,Sect.B, 47, 1991
8APT
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BU of 8apt by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 13
分子名称: 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
著者Hall, G, Cowan, R, Carr, M.D.
登録日2022-08-10
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
8APV
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BU of 8apv by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 27
分子名称: 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
著者Hall, G, Cowan, R, Carr, M.D.
登録日2022-08-10
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
8APW
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BU of 8apw by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 30
分子名称: 1-[2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
著者Hall, G, Cowan, R, Carr, M.D.
登録日2022-08-10
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
8APU
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BU of 8apu by Molmil
Crystal Structure of H. influenzae TrmD in complex with Compound 14
分子名称: 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase
著者Hall, G, Cowan, R, Carr, M.D.
登録日2022-08-10
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
6I3G
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BU of 6i3g by Molmil
Crystal structure of a putative peptide binding protein AppA from Clostridium difficile
分子名称: ABC transporter, substrate-binding protein, family 5, ...
著者Hughes, A.M, Wilkinson, A, Dodson, E.
登録日2018-11-06
公開日2019-04-10
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the putative peptide-binding protein AppA from Clostridium difficile.
Acta Crystallogr.,Sect.F, 75, 2019
5UCG
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BU of 5ucg by Molmil
Structure of the PP2C Phosphatase Domain and a Fragment of the Regulatory Domain of the Cell Fate Determinant SpoIIE from Bacillus Subtilis
分子名称: Stage II sporulation protein E
著者Bradshaw, N, Levdikov, V, Zimanyi, C, Gaudet, R, Wilkinson, A, Losick, R.
登録日2016-12-22
公開日2017-05-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.906 Å)
主引用文献A widespread family of serine/threonine protein phosphatases shares a common regulatory switch with proteasomal proteases.
Elife, 6, 2017
3H5Z
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BU of 3h5z by Molmil
Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA
分子名称: 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ...
著者Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC)
登録日2009-04-22
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献N-myristoyltransferase inhibitors as new leads to treat sleeping sickness.
Nature, 464, 2010
5OCP
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BU of 5ocp by Molmil
The periplasmic binding protein component of the arabinose ABC transporter from Shewanella sp. ANA-3 bound to alpha and beta-L-arabinofuranose
分子名称: ACETATE ION, GLYCEROL, Periplasmic binding protein/LacI transcriptional regulator, ...
著者Herman, R.
登録日2017-07-03
公開日2018-08-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CHARACTERISATION OF A FURANOSE SPECIFIC ABC TRANSPORTER ESSENTIAL FOR ARABINOSE UTILISATION FROM THE LIGNOCELLULOSE DEGRADING BACTERIUM SHEWANELLA SP. ANA-3
To Be Published
1TYD
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BU of 1tyd by Molmil
STRUCTURE OF TYROSYL-TRNA SYNTHETASE REFINED AT 2.3 ANGSTROMS RESOLUTION. INTERACTION OF THE ENZYME WITH THE TYROSYL ADENYLATE INTERMEDIATE
分子名称: TYROSINE, TYROSYL-tRNA SYNTHETASE
著者Brown, K.A, De Meester, P, Blow, D.M.
登録日1992-07-06
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of tyrosyl-tRNA synthetase refined at 2.3 A resolution. Interaction of the enzyme with the tyrosyl adenylate intermediate.
J.Mol.Biol., 208, 1989
1TYC
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BU of 1tyc by Molmil
STRUCTURAL ANALYSIS OF A SERIES OF MUTANTS OF TYROSYL-TRNA SYNTHETASE: ENHANCEMENT OF CATALYSIS BY HYDROPHOBIC INTERACTIONS
分子名称: TYROSYL-tRNA SYNTHETASE
著者Brown, K.A, Brick, P, De Meester, P, Blow, D.M.
登録日1992-07-06
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of a Series of Mutants of Tyrosyl-tRNA Synthetase: Enhancement of Catalysis by Hydrophobic Interactions
To be Published
1TYA
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BU of 1tya by Molmil
STRUCTURAL ANALYSIS OF A SERIES OF MUTANTS OF TYROSYL-TRNA SYNTHETASE: ENHANCEMENT OF CATALYSIS BY HYDROPHOBIC INTERACTIONS
分子名称: TYROSINE, TYROSYL-tRNA SYNTHETASE
著者Brown, K.A, De Meester, P, Blow, D.M.
登録日1992-07-06
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Analysis of a Series of Mutants of Tyrosyl-tRNA Synthetase: Enhancement of Catalysis by Hydrophobic Interactions
To be Published
1TYB
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BU of 1tyb by Molmil
STRUCTURAL ANALYSIS OF A SERIES OF MUTANTS OF TYROSYL-TRNA SYNTHETASE: ENHANCEMENT OF CATALYSIS BY HYDROPHOBIC INTERACTIONS
分子名称: TYROSINE, TYROSYL-tRNA SYNTHETASE
著者Brown, K.A, De Meester, P, Blow, D.M.
登録日1992-07-06
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of a Series of Mutants of Tyrosyl-tRNA Synthetase: Enhancement of Catalysis by Hydrophobic Interactions
To be Published
1IZA
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BU of 1iza by Molmil
ROLE OF B13 GLU IN INSULIN ASSEMBLY: THE HEXAMER STRUCTURE OF RECOMBINANT MUTANT (B13 GLU-> GLN) INSULIN
分子名称: INSULIN
著者Xiao, B, Dodson, G.G.
登録日1992-10-16
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Role of B13 Glu in insulin assembly. The hexamer structure of recombinant mutant (B13 Glu-->Gln) insulin.
J.Mol.Biol., 228, 1992
1IZB
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BU of 1izb by Molmil
ROLE OF B13 GLU IN INSULIN ASSEMBLY: THE HEXAMER STRUCTURE OF RECOMBINANT MUTANT (B13 GLU-> GLN) INSULIN
分子名称: INSULIN, ZINC ION
著者Xiao, B, Dodson, G.G.
登録日1992-10-16
公開日1993-10-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of B13 Glu in insulin assembly. The hexamer structure of recombinant mutant (B13 Glu-->Gln) insulin.
J.Mol.Biol., 228, 1992
1SQ6
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BU of 1sq6 by Molmil
Plasmodium falciparum homolog of Uridine phosphorylase/Purine nucleoside phosphorylase
分子名称: SULFATE ION, uridine phosphorylase, putative
著者Robien, M.A, Hol, W.G.J, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2004-03-17
公開日2004-04-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of Plasmodium falciparum purine nucleoside phosphorylase complexed with sulfate and its natural substrate inosine.
Acta Crystallogr.,Sect.D, 61, 2005
2RBI
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BU of 2rbi by Molmil
STRUCTURE OF BINASE MUTANT HIS 101 ASN
分子名称: RIBONUCLEASE
著者Offen, W.A, Okorokov, A.L.
登録日1996-11-12
公開日1997-03-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献RNA cleavage without hydrolysis. Splitting the catalytic activities of binase with Asn101 and Thr101 mutations.
Protein Eng., 10, 1997
5MU6
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BU of 5mu6 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound
分子名称: 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
著者Perez-Dorado, I, Bell, A.S, Tate, E.W.
登録日2017-01-12
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
6QDB
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BU of 6qdb by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
分子名称: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020

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