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PDB: 776 results

5HK3
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Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with DNA
Descriptor: DNA (5'-D(*AP*GP*UP*CP*UP*CP*CP*UP*UP*UP*C)-3'), Endoribonuclease MazF6
Authors:Yen, T.J, Brennan, R.G.
Deposit date:2016-01-13
Release date:2017-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal structure of M. tuberculosis MazF-mt3 T52D-F62D mutant in complex with DNA
To Be Published
5HUV
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BU of 5huv by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose
Descriptor: Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-27
Release date:2017-05-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose
To Be Published
6FZ5
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BU of 6fz5 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 4-[3-[(8~{a}~{R})-3,4,6,7,8,8~{a}-hexahydro-1~{H}-pyrrolo[1,2-a]pyrazin-2-yl]propyl]-2,6-bis(chloranyl)-~{N}-methyl-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Kersten, F.C, Brenk, R.
Deposit date:2018-03-14
Release date:2019-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6FZ3
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Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Kersten, F.C, Brenk, R.
Deposit date:2018-03-13
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6GNS
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BU of 6gns by Molmil
Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and an Azepanyl Phenyl Benzylsulphonamide Ligand
Descriptor: Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, methyl 4-(azepan-1-yl)-3-[[4-[4-(1-methylpiperidin-4-yl)butyl]phenyl]sulfonylamino]benzoate
Authors:Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
Deposit date:2018-05-31
Release date:2018-09-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
3ZWC
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BU of 3zwc by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH 3S-HYDROXY-DECANOYL-COA
Descriptor: (S)-3-HYDROXYDECANOYL-COA, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2011-07-28
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013
3ZW8
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BU of 3zw8 by Molmil
Crystal Structure Of Rat Peroxisomal Multifunctional Enzyme Type 1 (rpMFE1) In Apo Form
Descriptor: GLYCEROL, PEROXISOMAL BIFUNCTIONAL ENZYME, SULFATE ION
Authors:Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2011-07-28
Release date:2012-08-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013
3ZLK
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BU of 3zlk by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, N-(6-AMINO-1-BENZYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)BENZENESULFONAMIDE
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2013-02-01
Release date:2013-02-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
3ZW9
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BU of 3zw9 by Molmil
CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE 1 (RPMFE1) COMPLEXED WITH (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA
Descriptor: (2S,3S)-3-HYDROXY-2-METHYLBUTANOYL-COA, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PEROXISOMAL BIFUNCTIONAL ENZYME, ...
Authors:Kasaragod, P, Schmitz, W, Hiltunen, J.K, Wierenga, R.K.
Deposit date:2011-07-28
Release date:2012-08-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Isomerase and Hydratase Reaction Mechanism of the Crotonase Active Site of the Multifunctional Enzyme (Type-1), as Deduced from Structures of Complexes with 3S-Hydroxy- Acyl-Coa.
FEBS J., 280, 2013
1DBR
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BU of 1dbr by Molmil
HYPOXANTHINE GUANINE XANTHINE
Descriptor: HYPOXANTHINE GUANINE XANTHINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION
Authors:Schumacher, M.A, Carter, D, Roos, D, Ullman, B, Brennan, R.G.
Deposit date:1996-02-13
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Toxoplasma gondii HGXPRTase reveal the catalytic role of a long flexible loop.
Nat.Struct.Biol., 3, 1996
4B8U
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BU of 4b8u by Molmil
Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N- isobutyl-2-(5-(2-thienyl)-1,2-oxazol-3-yl-)methoxy)acetamide
Descriptor: 3-HYDROXYDECANOYL-[ACYL-CARRIER-PROTEIN] DEHYDRATASE, N-isobutyl-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide, SULFATE ION
Authors:Moynie, L, McMahon, S.A, Duthie, F.G, Brenk, R, Naismith, J.H.
Deposit date:2012-08-30
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Insights Into the Mechanism and Inhibition of the Beta-Hydroxydecanoyl-Acyl Carrier Protein Dehydratase from Pseudomonasaeruginosa.
J.Mol.Biol., 425, 2013
4B4B
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BU of 4b4b by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2012-07-30
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B42
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BU of 4b42 by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2012-07-27
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.505 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4B3J
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BU of 4b3j by Molmil
Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase and thiolase active sites
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB, ...
Authors:Venkatesan, R, Wierenga, R.K.
Deposit date:2012-07-24
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Mycobacterial Beta-Oxidation Trifunctional Enzyme Reveals its Altered Assembly and Putative Substrate Channeling Pathway.
Acs Chem.Biol., 8, 2013
4B3I
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BU of 4b3i by Molmil
Crystal structure of Mycobacterium tuberculosis fatty acid beta- oxidation complex with CoenzymeA bound at the hydratase active sites
Descriptor: ADENOSINE-5'-DIPHOSPHATE, COENZYME A, FATTY ACID BETA-OXIDATION COMPLEX ALPHA-CHAIN FADB, ...
Authors:Venkatesan, R, Wierenga, R.K.
Deposit date:2012-07-24
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structure of Mycobacterial Beta-Oxidation Trifunctional Enzyme Reveals its Altered Assembly and Putative Substrate Channeling Pathway.
Acs Chem.Biol., 8, 2013
4C2K
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BU of 4c2k by Molmil
Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Kiema, T.-R, Harijan, R.K, Wierenga, R.K.
Deposit date:2013-08-19
Release date:2014-09-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human Mitochondrial 3-Ketoacyl-Coa Thiolase (T1): Insight Into the Reaction Mechanism of its Thiolase and Thioesterase Activities
Acta Crystallogr.,Sect.D, 70, 2014
4A32
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BU of 4a32 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
Descriptor: 3,5-DICHLORO-3'-[(DIETHYLAMINO)METHYL]-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BIPHENYL-4-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2011-09-29
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
4C2J
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BU of 4c2j by Molmil
Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase in complex with CoA
Descriptor: 1,2-ETHANEDIOL, 3-KETOACYL-COA THIOLASE, MITOCHONDRIAL, ...
Authors:Kiema, T.-R, Harijan, R.K, Wierenga, R.K.
Deposit date:2013-08-19
Release date:2014-09-03
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Crystal Structure of Human Mitochondrial 3-Ketoacyl-Coa Thiolase (T1): Insight Into the Reaction Mechanism of its Thiolase and Thioesterase Activities
Acta Crystallogr.,Sect.D, 70, 2014
4ZDB
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BU of 4zdb by Molmil
Yeast enoyl-CoA isomerase (ScECI2) complexed with acetoacetyl-CoA
Descriptor: 3,2-trans-enoyl-CoA isomerase, ACETOACETYL-COENZYME A, GLYCEROL, ...
Authors:Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
Deposit date:2015-04-17
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
4B2X
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BU of 4b2x by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, ...
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2012-07-18
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4ZDF
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BU of 4zdf by Molmil
Crystal structure of yeast enoyl-CoA isomerase helix-10 deletion (ScECI2-H10) mutant
Descriptor: 3,2-trans-enoyl-CoA isomerase, GLYCEROL
Authors:Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
Deposit date:2015-04-17
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
4ASY
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BU of 4asy by Molmil
Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ...
Authors:Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Sarkar, A, Brenk, R, Westwood, N.J, Gray, D, Naismith, J.H.
Deposit date:2012-05-03
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa.
ACS Chem. Biol., 8, 2013
4ZDE
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BU of 4zde by Molmil
Crystal structure of yeast D3,D2-enoyl-CoA isomerase F268A mutant
Descriptor: 3,2-trans-enoyl-CoA isomerase, GLYCEROL, SULFATE ION
Authors:Onwukwe, G.U, Koski, M.K, Wierenga, R.K.
Deposit date:2015-04-17
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of yeast peroxisomal Delta (3), Delta (2)-enoyl-CoA isomerase complexed with acyl-CoA substrate analogues: the importance of hydrogen-bond networks for the reactivity of the catalytic base and the oxyanion hole.
Acta Crystallogr.,Sect.D, 71, 2015
4A31
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BU of 4a31 by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND
Descriptor: 6-{[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]AMINO}-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)PYRIDINE-3-SULFONAMIDE, GLYCEROL, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2011-09-29
Release date:2011-12-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors.
J. Med. Chem., 55, 2012
3ZBK
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BU of 3zbk by Molmil
Crystal structure of SCP2 thiolase from Leishmania mexicana: The C123A mutant.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-KETOACYL-COA THIOLASE-LIKE PROTEIN, CHLORIDE ION, ...
Authors:Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K.
Deposit date:2012-11-10
Release date:2013-08-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013

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