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PDB: 128 results

4UFX
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BU of 4ufx by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 19)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2015-03-19
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UFW
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BU of 4ufw by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 22)
Descriptor: 2-oxopentadecyl-CoA, 4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide, CHLORIDE ION, ...
Authors:Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2015-03-19
Release date:2016-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UFV
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BU of 4ufv by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a pyridyl inhibitor (compound 18)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Yu, Z, Brannigan, J.A, Rangachari, K, Heal, W.P, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J.
Deposit date:2015-03-19
Release date:2016-02-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Pyridyl-Based Inhibitors of Plasmodium Falciparum N-Myristoyltransferase
Medchemcomm, 6, 2015
4UTU
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BU of 4utu by Molmil
Structural and biochemical characterization of the N- acetylmannosamine-6-phosphate 2-epimerase from Clostridium perfringens
Descriptor: CHLORIDE ION, N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE, N-acetylmannosamine-6-phosphate
Authors:Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F.
Deposit date:2014-07-23
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway
J.Biol.Chem., 289, 2014
4UTW
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BU of 4utw by Molmil
Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens
Descriptor: CHLORIDE ION, N-acetyl-D-glucosamine-6-phosphate, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE
Authors:Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F.
Deposit date:2014-07-23
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway
J.Biol.Chem., 289, 2014
4UTT
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BU of 4utt by Molmil
Structural characterisation of NanE, ManNac6P C2 epimerase, from Clostridium perfingens
Descriptor: ACETATE ION, CHLORIDE ION, PUTATIVE N-ACETYLMANNOSAMINE-6-PHOSPHATE 2-EPIMERASE
Authors:Pelissier, M.C, Sebban-Kreuzer, C, Guerlesquin, F, Brannigan, J.A, Davies, G.J, Bourne, Y, Vincent, F.
Deposit date:2014-07-23
Release date:2014-10-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway.
J.Biol.Chem., 289, 2014
6H75
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BU of 6h75 by Molmil
SiaP A11N in complex with Neu5Ac (RT)
Descriptor: N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP
Authors:Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E.
Deposit date:2018-07-30
Release date:2019-08-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
6H76
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BU of 6h76 by Molmil
SiaP in complex with Neu5Ac (RT)
Descriptor: CESIUM ION, CHLORIDE ION, N-acetyl-beta-neuraminic acid, ...
Authors:Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E.
Deposit date:2018-07-30
Release date:2019-08-14
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
5A27
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BU of 5a27 by Molmil
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
5A28
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BU of 5a28 by Molmil
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
2PVA
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BU of 2pva by Molmil
OXIDIZED PENICILLIN V ACYLASE FROM B. SPHAERICUS
Descriptor: DITHIANE DIOL, PENICILLIN V ACYLASE
Authors:Suresh, C.G, Pundle, A.V, Rao, K.N, SivaRaman, H, Brannigan, J.A, McVey, C.E, Verma, C.S, Dauter, Z, Dodson, E.J, Dodson, G.G.
Deposit date:1998-11-13
Release date:2000-07-26
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Penicillin V acylase crystal structure reveals new Ntn-hydrolase family members.
Nat.Struct.Biol., 6, 1999
4PEM
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BU of 4pem by Molmil
Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophila
Descriptor: CALCIUM ION, Penicillin G acylase Alpha, Penicillin G acylase Beta
Authors:Ramasamy, S, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G.
Deposit date:2014-04-24
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophilla
To be Published
4PEL
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BU of 4pel by Molmil
S1C mutant of Penicillin G acylase from Kluyvera citrophila
Descriptor: CALCIUM ION, Penicillin G acylase subunit alpha, Penicillin G acylase subunit beta
Authors:Ramasamy, S, Chand, D, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G.
Deposit date:2014-04-24
Release date:2015-07-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Penicillin G acylase
To Be Published
5G21
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BU of 5g21 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 26).
Descriptor: ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G20
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BU of 5g20 by Molmil
Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19).
Descriptor: 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G1Z
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BU of 5g1z by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 1)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
5G22
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BU of 5g22 by Molmil
Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26)
Descriptor: 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ...
Authors:Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase.
Medchemcomm, 8, 2017
3T6Y
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BU of 3t6y by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-{[(R)-(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]amino}uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
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
Last modified:2023-11-01
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
2HEZ
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BU of 2hez by Molmil
Bifidobacterium longum bile salt hydrolase
Descriptor: Bile salt hydrolase, SULFATE ION
Authors:Suresh, C.G, Kumar, R.S, Brannigan, J.A.
Deposit date:2006-06-22
Release date:2006-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Functional Analysis of a Conjugated Bile Salt Hydrolase from Bifidobacterium longum Reveals an Evolutionary Relationship with Penicillin V Acylase.
J.Biol.Chem., 281, 2006
3T70
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BU of 3t70 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
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
Last modified:2023-11-01
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
3T60
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BU of 3t60 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-(tritylamino)uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ...
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:2023-09-13
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
2HF0
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BU of 2hf0 by Molmil
Bifidobacterium longum bile salt hydrolase
Descriptor: Bile salt hydrolase
Authors:Suresh, C.G, Kumar, R.S, Brannigan, J.A.
Deposit date:2006-06-22
Release date:2006-09-19
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Analysis of a Conjugated Bile Salt Hydrolase from Bifidobacterium longum Reveals an Evolutionary Relationship with Penicillin V Acylase.
J.Biol.Chem., 281, 2006
3T64
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BU of 3t64 by Molmil
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Descriptor: 2',5'-dideoxy-5'-[(diphenylmethyl)amino]uridine, 5'-(BENZHYDRYLAMINO)-2',5'-DIDEOXYURIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
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:2023-09-13
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
1FSE
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BU of 1fse by Molmil
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:2024-02-07
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
1ODS
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BU of 1ods by Molmil
Cephalosporin C deacetylase from Bacillus subtilis
Descriptor: CEPHALOSPORIN C DEACETYLASE, CHLORIDE ION, MAGNESIUM ION
Authors:Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J.
Deposit date:2003-02-20
Release date:2003-07-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution
J.Mol.Biol., 330, 2003

221051

數據於2024-06-12公開中

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