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PDB: 47 results

7NWR
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BU of 7nwr by Molmil
Structure of BT1526, a myo-inositol-1-phosphate synthase
Descriptor: Inositol-3-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
Authors:Basle, A, Tang, G, Marles-Wright, J, Campopiano, D.
Deposit date:2021-03-17
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of inositol lipid metabolism in gut-associated Bacteroidetes.
Nat Microbiol, 7, 2022
5WPY
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BU of 5wpy by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
Descriptor: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
Authors:Zhao, B, Lan, W, Tang, G, Cao, C.
Deposit date:2016-11-21
Release date:2017-11-29
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:major solution Structure of KstB-PCP in kosinostatin biosynthesis
To Be Published
5WPX
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BU of 5wpx by Molmil
Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
Descriptor: Peptidyl carrier protein, ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] pyridine-3-carbothioate
Authors:Zhao, B, Lan, W, Tang, G, Cao, C.
Deposit date:2016-11-21
Release date:2018-02-07
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis
To Be Published
3FZE
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BU of 3fze by Molmil
Structure of the 'minimal scaffold' (ms) domain of Ste5 that cocatalyzes Fus3 phosphorylation by Ste7
Descriptor: Protein STE5
Authors:Good, M.C, Tang, G, Singleton, J, Remenyi, A, Lim, W.A.
Deposit date:2009-01-25
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:The Ste5 scaffold directs mating signaling by catalytically unlocking the Fus3 MAP kinase for activation.
Cell(Cambridge,Mass.), 136, 2009
1BOQ
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BU of 1boq by Molmil
PRO REGION C-TERMINUS: PROTEASE ACTIVE SITE INTERACTIONS ARE CRITICAL IN CATALYZING THE FOLDING OF ALPHA-LYTIC PROTEASE
Descriptor: PROTEIN (ALPHA-LYTIC PROTEASE), SULFATE ION
Authors:Peters, R.J, Shiau, A.K, Sohl, J.L, Anderson, D.E, Tang, G, Silen, J.L, Agard, D.A.
Deposit date:1998-08-05
Release date:1998-08-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pro region C-terminus:protease active site interactions are critical in catalyzing the folding of alpha-lytic protease.
Biochemistry, 37, 1998
2MY5
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BU of 2my5 by Molmil
Solution Structure of KstB-PCP in kosinostatin biosynthesis
Descriptor: N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide, Peptidyl carrier protein
Authors:Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
2MY6
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BU of 2my6 by Molmil
Structure of KstB-PCP(apo)
Descriptor: Peptidyl carrier protein
Authors:Zhao, B, Lan, W, Wang, C, Tang, G, Cao, C.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:1H and 15N Assigned Chemical Shifts for KstB-PCP
To be Published
7XH2
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BU of 7xh2 by Molmil
Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein sfcH
Authors:Ma, X, Shao, N, Ma, M, Tang, G.
Deposit date:2022-04-07
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
7XH4
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BU of 7xh4 by Molmil
Dihydrofolate Reductase-like Protein SacH in safracin biosynthesis complex with safracin A
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Safracin A, Uncharacterized protein sfcH
Authors:Ma, X, Shao, N, Zhang, Y, Yang, D, Ma, M, Tang, G.
Deposit date:2022-04-07
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Dihydrofolate reductase-like protein inactivates hemiaminal pharmacophore for self-resistance in safracin biosynthesis.
Acta Pharm Sin B, 13, 2023
2I2D
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BU of 2i2d by Molmil
Crystal structure of LmNADK1
Descriptor: BIS{[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL} DIHYDROGEN DIPHOSPHATE, CITRIC ACID, Probable inorganic polyphosphate/ATP-NAD kinase 1
Authors:Poncet-Montange, G, Labesse, G.
Deposit date:2006-08-16
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
2I1W
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BU of 2i1w by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes
Descriptor: IODIDE ION, Probable inorganic polyphosphate/ATP-NAD kinase 1
Authors:Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G.
Deposit date:2006-08-15
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
2I2C
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BU of 2i2c by Molmil
Crystal structure of LmNADK1
Descriptor: (2S,3S,4R,5R,2'S,3'S,4'R,5'R)-2,2'-[DITHIOBIS(METHYLENE)]BIS[5-(6-AMINO-9H-PURIN-9-YL)TETRAHYDROFURAN-3,4-DIOL], Probable inorganic polyphosphate/ATP-NAD kinase 1, TETRAETHYLENE GLYCOL
Authors:Poncet-Montange, G, Labesse, G.
Deposit date:2006-08-16
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
2I29
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BU of 2i29 by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes
Descriptor: CITRIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Probable inorganic polyphosphate/ATP-NAD kinase 1
Authors:Poncet-Montange, G, Assairi, L, Arold, S, Pochet, S, Labesse, G.
Deposit date:2006-08-16
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NAD kinases use substrate-assisted catalysis for specific recognition of NAD.
J.Biol.Chem., 282, 2007
4YC9
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BU of 4yc9 by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i)
Descriptor: GLYCEROL, N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAB
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BU of 4yab by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1)
Descriptor: 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one, SULFATE ION, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YAD
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BU of 4yad by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b)
Descriptor: 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-17
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBM
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BU of 4ybm by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b)
Descriptor: GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-18
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4YBS
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BU of 4ybs by Molmil
Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g)
Descriptor: DIMETHYL SULFOXIDE, N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ...
Authors:Poncet-Montange, G, Palmer, W, Jones, P.
Deposit date:2015-02-19
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor.
J.Med.Chem., 59, 2016
4TT4
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BU of 4tt4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT2
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BU of 4tt2 by Molmil
Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide
Descriptor: ATPase family AAA domain-containing protein 2, Histone H4K5Ac
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU6
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BU of 4tu6 by Molmil
Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TU4
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BU of 4tu4 by Molmil
Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid, ATPase family AAA domain-containing protein 2, CHLORIDE ION, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-23
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TT6
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BU of 4tt6 by Molmil
Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-19
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
4TTE
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BU of 4tte by Molmil
Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, GLYCEROL, ...
Authors:Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J.
Deposit date:2014-06-20
Release date:2014-12-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2.
Biochem.J., 466, 2015
5EJF
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BU of 5ejf by Molmil
Crystal structure of NAD kinase P101A mutant from Listeria monocytogenes
Descriptor: NAD kinase 1
Authors:Poncet-Montange, G, Assairi, L, Gelin, M, Pochet, S, Labesse, G.
Deposit date:2015-11-01
Release date:2016-11-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Crystal structure of NAD kinase 1 from Listeria monocytogenes: P101A mutant
to be published

 

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