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4CYQ
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BU of 4cyq by Molmil
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
5UV6
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BU of 5uv6 by Molmil
Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E.
Deposit date:2017-02-19
Release date:2018-03-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.65002 Å)
Cite:Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions.
Nat Commun, 10, 2019
8B0H
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BU of 8b0h by Molmil
2C9, C5b9-CD59 cryoEM structure
Descriptor: CD59 glycoprotein, Complement C5, Complement component C6, ...
Authors:Couves, E.C, Gardner, S, Bubeck, D.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8B0G
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BU of 8b0g by Molmil
2C9, C5b9-CD59 structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD59 glycoprotein, Complement C5, ...
Authors:Couves, E.C, Gardner, S, Bubeck, D.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
8B0F
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BU of 8b0f by Molmil
CryoEM structure of C5b8-CD59
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Bubeck, D, Couves, E.C, Gardner, S.
Deposit date:2022-09-07
Release date:2023-02-22
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
7Q6Z
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BU of 7q6z by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to IMP-1575
Descriptor: 2-(2-methylpropylamino)-1-[(4R)-4-(6-methylpyridin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone, CHOLESTEROL, Megabody 177, ...
Authors:Coupland, C, Carrique, L, Siebold, C.
Deposit date:2021-11-09
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021
7Q1U
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BU of 7q1u by Molmil
Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map)
Descriptor: CHOLESTEROL, MAGNESIUM ION, Megabody 177, ...
Authors:Coupland, C, Carrique, L, Siebold, C.
Deposit date:2021-10-21
Release date:2022-06-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure, mechanism, and inhibition of Hedgehog acyltransferase.
Mol.Cell, 81, 2021
6MB0
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BU of 6mb0 by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-1002
Descriptor: 1,2-ETHANEDIOL, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-08-29
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6MB1
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BU of 6mb1 by Molmil
Crystal structure of N-myristoyl transferase (NMT) from Plasmodium vivax in complex with inhibitor IMP-1002
Descriptor: 1,2-ETHANEDIOL, 1-(5-{4-fluoro-2-[2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethoxy]phenyl}-1-methyl-1H-indazol-3-yl)-N,N-dimethylmethanamine, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-08-29
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6MAZ
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BU of 6maz by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-0366
Descriptor: 1,2-ETHANEDIOL, 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-08-29
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
6MAY
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BU of 6may by Molmil
Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Glycylpeptide N-tetradecanoyltransferase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-08-29
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors.
Cell Chem Biol, 26, 2019
5O6J
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BU of 5o6j by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-1031
Descriptor: 1-[5-[3-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
Authors:Brannigan, J.A, Wilkinson, A.J.
Deposit date:2017-06-06
Release date:2018-05-16
Last modified:2024-01-17
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
5O6H
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BU of 5o6h by Molmil
Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917
Descriptor: 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Brannigan, J.A, Wilkinson, A.J.
Deposit date:2017-06-06
Release date:2018-05-16
Last modified:2024-01-17
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
5O48
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BU of 5o48 by Molmil
P.vivax NMT with an aminomethylindazole inhibitor bound
Descriptor: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
Authors:Brannigan, J.A, Wilkinson, A.J.
Deposit date:2017-05-26
Release date:2018-05-16
Last modified:2024-05-08
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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BU of 5o4v by Molmil
P.vivax NMT with aminomethylindazole and quinoline inhibitors bound
Descriptor: 1-[5-(4-fluoranyl-2-methyl-phenyl)-1~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, 2-oxopentadecyl-CoA, CHLORIDE ION, ...
Authors:Brannigan, J.A, Wilkinson, A.J.
Deposit date:2017-05-31
Release date:2018-05-16
Last modified:2024-01-17
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
5OO0
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BU of 5oo0 by Molmil
Cdk2(WT) covalent adduct with D28 at C177
Descriptor: Cyclin-dependent kinase 2, methyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2017-08-04
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5OSJ
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BU of 5osj by Molmil
Cdk2(WT) with covalent adduct at C177
Descriptor: Cyclin-dependent kinase 2, ~{tert}-butyl 4-propanoyl-2,3-dihydroquinoxaline-1-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
5OSM
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BU of 5osm by Molmil
Cdk2(F80C, C177A) with covalent adduct at C80
Descriptor: Cyclin-dependent kinase 2, methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
Authors:Craven, G, Morgan, R.M.L, Mann, D.J.
Deposit date:2017-08-17
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
Angew. Chem. Int. Ed. Engl., 57, 2018
6SK2
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BU of 6sk2 by Molmil
HsNMT1 in complex with both MyrCoA and Acetylated-GKSFSKPR peptide reveals N-terminal Lysine Myristoylation
Descriptor: Apoptosis-inducing factor 3, COENZYME A, GLYCEROL, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-14
Release date:2020-03-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.90000653 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
6SCZ
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BU of 6scz by Molmil
Mycobacterium tuberculosis alanine racemase inhibited by DCS
Descriptor: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:de Chiara, C, Purkiss, A, Prosser, G, Homsak, M, de Carvalho, L.P.S.
Deposit date:2019-07-26
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:D-Cycloserine destruction by alanine racemase and the limit of irreversible inhibition.
Nat.Chem.Biol., 16, 2020
6SKJ
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BU of 6skj by Molmil
DeltaC2 C-terminal truncation of HsNMT1 in complex with MyrCoA and GNCFSKPR substrates
Descriptor: Apoptosis-inducing factor 3, COENZYME A, GLYCEROL, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-15
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
6SK8
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BU of 6sk8 by Molmil
DeltaC3 C-terminal truncation of HsNMT1 in complex with MyrCoA and GDCFSKPR substrates
Descriptor: Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-14
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
6SJZ
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BU of 6sjz by Molmil
HsNMT1 in complex with both MyrCoA and Acetylated-GNCFSKPR substrates
Descriptor: Apoptosis-inducing factor 3, CHLORIDE ION, GLYCEROL, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-14
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
6SK3
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BU of 6sk3 by Molmil
C-terminal HsNMT1 deltaC3 truncation in complex with both MyrCoA and GNCFSKPR substrates
Descriptor: Apoptosis-inducing factor 3, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Dian, C, Riviere, F.B, Asensio, T, Giglione, C, Meinnel, T.
Deposit date:2019-08-14
Release date:2020-03-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation.
Nat Commun, 11, 2020
4U0U
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BU of 4u0u by Molmil
Wild type eukaryotic fic domain containing protein with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ...
Authors:Cole, A.R, Bunney, T.D, Katan, M.
Deposit date:2014-07-14
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014

220113

數據於2024-05-22公開中

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