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3KR0
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BU of 3kr0 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-6-ol
Descriptor: 2-AMINO-5-HYDROXY-BENZIMIDAZOLE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KPV
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BU of 3kpv by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Adenine
Descriptor: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQQ
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BU of 3kqq by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid
Descriptor: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQY
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BU of 3kqy by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol
Descriptor: 2-amino-1H-benzimidazol-7-ol, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQO
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BU of 3kqo by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 6-Chloropurine
Descriptor: 6-chloro-9H-purine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KR1
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BU of 3kr1 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-chloro-1H-benzo[d]imidazol-2-amine
Descriptor: 6-chloro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
6MHH
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BU of 6mhh by Molmil
Proteus mirabilis ScsC linker (residues 39-49) deletion and N6K mutant
Descriptor: Metal resistance protein
Authors:Furlong, E.J, Martin, J.L.
Deposit date:2018-09-17
Release date:2019-03-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.083 Å)
Cite:Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
6NEN
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BU of 6nen by Molmil
Catalytic domain of Proteus mirabilis ScsC
Descriptor: Copper resistance protein
Authors:Kurth, F, Furlong, E.J, Premkumar, L, Martin, J.L.
Deposit date:2018-12-17
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
3KR2
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BU of 3kr2 by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-fluoro-1H-benzo[d]imidazol-2-amine
Descriptor: 6-fluoro-1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KPJ
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BU of 3kpj by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate
Descriptor: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-16
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQW
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BU of 3kqw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole
Descriptor: 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQM
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BU of 3kqm by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 4-Bromo-1H-imidazole
Descriptor: 4-bromo-1H-imidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
3KQS
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BU of 3kqs by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 2-Aminobenzimidazole
Descriptor: 1H-benzimidazol-2-amine, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Drinkwater, N, Martin, J.L.
Deposit date:2009-11-17
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
2V1O
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BU of 2v1o by Molmil
Crystal structure of N-terminal domain of acyl-CoA thioesterase 7
Descriptor: COENZYME A, CYTOSOLIC ACYL COENZYME A THIOESTER HYDROLASE
Authors:Forwood, J.K, Thakur, A.S, Guncar, G, Marfori, M, Mouradov, D, Meng, W.N, Robinson, J, Huber, T, Kellie, S, Martin, J.L, Hume, D.A, Kobe, B.
Deposit date:2007-05-28
Release date:2007-06-26
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural Basis for Recruitment of Tandem Hotdog Domains in Acyl-Coa Thioesterase 7 and its Role in Inflammation.
Proc.Natl.Acad.Sci.USA, 104, 2007
5ID4
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BU of 5id4 by Molmil
Crystal structure of Proteus mirabilis ScsC in an extended conformation
Descriptor: DsbA-like protein
Authors:Furlong, E.J, Kurth, F, Choudhury, H.G, Martin, J.L.
Deposit date:2016-02-23
Release date:2017-07-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.921 Å)
Cite:Proteus mirabilis ScsC is a highly dynamic, novel trimeric protein disulfide isomerase
Nat Commun, 2017
5IDR
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BU of 5idr by Molmil
Crystal structure of Proteus Mirabilis ScsC in a transitional conformation
Descriptor: DsbA-like protein
Authors:Furlong, E.J, Kurth, F, Choudhury, H.G, Martin, J.L.
Deposit date:2016-02-24
Release date:2017-08-02
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.562 Å)
Cite:A shape-shifting redox foldase contributes to Proteus mirabilis copper resistance.
Nat Commun, 8, 2017
4K6X
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BU of 4k6x by Molmil
Crystal structure of disulfide oxidoreductase from Mycobacterium tuberculosis
Descriptor: 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Disulfide oxidoreductase
Authors:Premkumar, L, Martin, J.L.
Deposit date:2013-04-16
Release date:2013-10-02
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.972 Å)
Cite:Rv2969c, essential for optimal growth in Mycobacterium tuberculosis, is a DsbA-like enzyme that interacts with VKOR-derived peptides and has atypical features of DsbA-like disulfide oxidases.
Acta Crystallogr.,Sect.D, 69, 2013
4MCU
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BU of 4mcu by Molmil
Crystal structure of disulfide oxidoreductase from Klebsiella pneumoniae in reduced state
Descriptor: Thiol:disulfide interchange protein
Authors:Kurth, F, Premkumar, L, Martin, J.L.
Deposit date:2013-08-21
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Comparative Sequence, Structure and Redox Analyses of Klebsiella pneumoniae DsbA Show That Anti-Virulence Target DsbA Enzymes Fall into Distinct Classes.
Plos One, 8, 2013
5TLQ
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BU of 5tlq by Molmil
Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex
Descriptor: 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA
Authors:Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S.
Deposit date:2016-10-11
Release date:2017-04-12
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
1WNH
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BU of 1wnh by Molmil
Crystal structure of mouse Latexin (tissue carboxypeptidase inhibitor)
Descriptor: Latexin
Authors:Aagaard, A, Listwan, P, Cowieson, N, Huber, T, Ravasi, T, Wells, C.A, Flanagan, J.U, Hume, D.A, Kobe, B, Martin, J.L.
Deposit date:2004-08-04
Release date:2005-02-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:An Inflammatory Role for the Mammalian Carboxypeptidase Inhibitor Latexin: Relationship to Cystatins and the Tumor Suppressor TIG1
Structure, 13, 2005
2Y92
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BU of 2y92 by Molmil
Crystal structure of MAL adaptor protein
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, TOLL/INTERLEUKIN-1 RECEPTOR DOMAIN-CONTAINING ADAPTER PROTEIN,
Authors:Valkov, E, Stamp, A, Martin, J.L, Kobe, B.
Deposit date:2011-02-11
Release date:2011-09-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Crystal Structure of Toll-Like Receptor Adaptor Mal/Tirap Reveals the Molecular Basis for Signal Transduction and Disease Protection.
Proc.Natl.Acad.Sci.USA, 108, 2011
1J1A
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BU of 1j1a by Molmil
PANCREATIC SECRETORY PHOSPHOLIPASE A2 (IIa) WITH ANTI-INFLAMMATORY ACTIVITY
Descriptor: (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID, CALCIUM ION, Phospholipase A2
Authors:Hansford, K.A, Reid, R.C, Clark, C.I, Tyndall, J.D.A, Whitehouse, M.W, Guthrie, T, McGeary, R.P, Schafer, K, Martin, J.L, Fairlie, D.P.
Deposit date:2002-12-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:D-Tyrosine as a Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (IIa) with Antiinflammatory Activity
Chembiochem, 4, 2003
1YZ3
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BU of 1yz3 by Molmil
Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139
Descriptor: 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Wu, Q, Gee, C.L, Lin, F, Martin, J.L, Grunewald, G.L, McLeish, M.J.
Deposit date:2005-02-27
Release date:2006-02-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase
J.Med.Chem., 48, 2005
5VYO
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BU of 5vyo by Molmil
The complex structure of Burkholderia pseudomallei DsbA bound to a peptide
Descriptor: Disulfide bond formation protein B, Thiol:disulfide interchange protein
Authors:McMahon, R.M, Martin, J.L.
Deposit date:2017-05-25
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Virulence of the Melioidosis Pathogen Burkholderia pseudomallei Requires the Oxidoreductase Membrane Protein DsbB.
Infect. Immun., 86, 2018
1LS6
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BU of 1ls6 by Molmil
Human SULT1A1 complexed with PAP and p-Nitrophenol
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, P-NITROPHENOL, aryl sulfotransferase
Authors:Gamage, N.U, Barnett, A.C, Tresillian, M, Latham, C.F, Liyou, N.E, McManus, M.E, Martin, J.L.
Deposit date:2002-05-17
Release date:2003-08-05
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a human carcinogen-converting enzyme, SULT1A1. Structural and kinetic implications of substrate inhibition.
J.Biol.Chem., 278, 2003

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