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4ZLV
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BU of 4zlv by Molmil
Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with the Schiff base between PLP and Lys286
Descriptor: DI(HYDROXYETHYL)ETHER, Ornithine aminotransferase, mitochondrial, ...
Authors:Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-01
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49 in a complex with the Schiff base between PLP and Lys286
To Be Published
4ZWM
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BU of 4zwm by Molmil
2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
Descriptor: Ornithine aminotransferase, mitochondrial, putative, ...
Authors:Filippova, E.V, Minasov, G, Flores, K, Van Le, H, Silverman, R.B, McLeod, R, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-19
Release date:2015-06-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:2.3 A resolution crystal structure of the ornithine aminotransferase from Toxoplasma gondii ME49
To Be Published
6MI6
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BU of 6mi6 by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG
Descriptor: 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine, ADENOSINE-5'-DIPHOSPHATE, Chemotaxis protein CheA, ...
Authors:Crane, B.R, Muok, A.R, Chua, T.K, Le, H.
Deposit date:2018-09-19
Release date:2018-12-05
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Nucleotide Spin Labeling for ESR Spectroscopy of ATP-Binding Proteins.
Appl.Magn.Reson., 49, 2018
5VWO
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BU of 5vwo by Molmil
Ornithine aminotransferase inactivated by (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)
Descriptor: (1S,3S,4E)-3-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-4-iminocyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial
Authors:Mascarenhas, R, Liu, D, Le, H, Silverman, R.
Deposit date:2017-05-22
Release date:2017-08-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
5VWR
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BU of 5vwr by Molmil
E.coli Aspartate aminotransferase-(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid (FCP)-alpha-ketoglutarate
Descriptor: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-glutamic acid, Aspartate aminotransferase, GLYCEROL
Authors:Mascarenhas, R, Liu, D, Le, H, Silverman, R.
Deposit date:2017-05-22
Release date:2017-09-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Selective Targeting by a Mechanism-Based Inactivator against Pyridoxal 5'-Phosphate-Dependent Enzymes: Mechanisms of Inactivation and Alternative Turnover.
Biochemistry, 56, 2017
8Q8O
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BU of 8q8o by Molmil
PA14_16140 protein: the regulator of an operon involved in the biofilm formation in PA14 P. aeruginosa
Descriptor: DUF2170 family protein, GLYCEROL, Tb-Xo4
Authors:Broutin, I, Phan, G, Girard, E.
Deposit date:2023-08-18
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:BacA: a possible regulator that contributes to the biofilm formation of Pseudomonas aeruginosa
Front Microbiol, 2024
4JIA
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BU of 4jia by Molmil
JAK2 kinase (JH1 domain) in complex with compound 9
Descriptor: 5-(4-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-amine, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-05
Release date:2013-08-07
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4JI9
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BU of 4ji9 by Molmil
JAK2 kinase (JH1 domain) in complex with TG101209
Descriptor: N-tert-butyl-3-[(5-methyl-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]benzenesulfonamide, Tyrosine-protein kinase JAK2
Authors:Eigenbrot, C, Ultsch, M.
Deposit date:2013-03-05
Release date:2013-08-07
Last modified:2013-08-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
6G4Z
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BU of 6g4z by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 2f
Descriptor: 5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide, Mitogen-activated protein kinase kinase kinase 14
Authors:Leonardo-Silvestre, H, McEwan, P.A, Hymowitz, S.G.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
3FMZ
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BU of 3fmz by Molmil
Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand
Descriptor: 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, Retinol-binding protein 4
Authors:Wang, Z, Johnstone, S, Walker, N.P.
Deposit date:2008-12-22
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Identification and Characterization of a Non-retinoid Ligand for Retinol-binding Protein 4 Which Lowers Serum Retinol-binding Protein 4 Levels in Vivo.
J.Biol.Chem., 284, 2009
6G4Y
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BU of 6g4y by Molmil
Crystal structure of murine NF-kappaB inducing kinase (NIK) in complex with compound 1a
Descriptor: 10-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrolidin-3-yl]ethynyl]-~{N}3-(oxan-4-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase 14, SULFATE ION
Authors:Hole, A.J, Hymowitz, S.G, McEwan, P.A.
Deposit date:2018-03-28
Release date:2018-07-04
Last modified:2018-08-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-kappa B Inducing Kinase.
J. Med. Chem., 61, 2018
3D87
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BU of 3d87 by Molmil
Crystal structure of Interleukin-23
Descriptor: Interleukin-12 subunit p40, Interleukin-23 subunit p19, PHOSPHATE ION, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
3D85
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BU of 3d85 by Molmil
Crystal structure of IL-23 in complex with neutralizing FAB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
3R7Q
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BU of 3r7q by Molmil
Structure-based design of thienobenzoxepin inhibitors of PI3- kinase
Descriptor: N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-03-22
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011
3R7R
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BU of 3r7r by Molmil
Structure-based design of thienobenzoxepin inhibitors of PI3-Kinase
Descriptor: 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2011-03-22
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.
Bioorg.Med.Chem.Lett., 21, 2011

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