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5XBI
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BU of 5xbi by Molmil
The structure of BrlR-C domain bound to 3-amino-2-phenazino(a pyocyanin analog)
Descriptor: 3-azanylphenazin-2-ol, DI(HYDROXYETHYL)ETHER, Probable transcriptional regulator
Authors:Wang, F, Qing, H, Gu, L.
Deposit date:2017-03-17
Release date:2018-03-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5XBT
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BU of 5xbt by Molmil
The structure of BrlR bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Wang, F, Qing, H, Gu, L.
Deposit date:2017-03-21
Release date:2018-05-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:BrlR from Pseudomonas aeruginosa is a receptor for both cyclic di-GMP and pyocyanin.
Nat Commun, 9, 2018
5XLX
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BU of 5xlx by Molmil
Crystal structure of the C-terminal domain of CheR1 containing SAH
Descriptor: Chemotaxis protein methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Yuan, Z, Zhu, Y, Gu, L.
Deposit date:2017-05-12
Release date:2017-08-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structural basis for the regulation of chemotaxis by MapZ in the presence of c-di-GMP
Acta Crystallogr D Struct Biol, 73, 2017
5XSN
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BU of 5xsn by Molmil
The catalytic domain of GdpP with c-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
Authors:Wang, F, Gu, L.
Deposit date:2017-06-14
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
5XLY
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BU of 5xly by Molmil
Crystal structure of CheR1 in complex with c-di-GMP-bound MapZ
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Chemotaxis protein methyltransferase 1, Cyclic diguanosine monophosphate-binding protein PA4608
Authors:Yuan, Z, Zhu, Y, Gu, L.
Deposit date:2017-05-12
Release date:2017-08-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Structural basis for the regulation of chemotaxis by MapZ in the presence of c-di-GMP
Acta Crystallogr D Struct Biol, 73, 2017
5XSI
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BU of 5xsi by Molmil
The catalytic domain of GdpP
Descriptor: MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
Authors:Wang, F, Gu, L.
Deposit date:2017-06-14
Release date:2018-01-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
5XSP
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BU of 5xsp by Molmil
The catalytic domain of GdpP with 5'-pApA
Descriptor: ADENOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
Authors:Wang, F, Gu, L.
Deposit date:2017-06-15
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.146 Å)
Cite:Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
5XT3
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BU of 5xt3 by Molmil
The catalytic domain of GdpP with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MANGANESE (II) ION, Phosphodiesterase acting on cyclic dinucleotides
Authors:Wang, F, Gu, L.
Deposit date:2017-06-16
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.591 Å)
Cite:Structural and biochemical characterization of the catalytic domains of GdpP reveals a unified hydrolysis mechanism for the DHH/DHHA1 phosphodiesterase
Biochem. J., 475, 2018
8GL9
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BU of 8gl9 by Molmil
Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE
Descriptor: CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen
Authors:Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J.
Deposit date:2023-03-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
8GLA
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BU of 8gla by Molmil
Co-crystal structure of caPCNA bound to the AOH1996 derivative, AOH1996-1LE
Descriptor: CHLORIDE ION, N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine, Proliferating cell nuclear antigen
Authors:Jossart, J, Perry, J.J.
Deposit date:2023-03-21
Release date:2023-07-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
2REF
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BU of 2ref by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula soaked with malonyl-CoA
Descriptor: ACETYL COENZYME *A, CurA
Authors:Geders, T.W, Smith, J.L.
Deposit date:2007-09-26
Release date:2007-11-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
2REE
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BU of 2ree by Molmil
Crystal structure of the loading GNATL domain of CurA from Lyngbya majuscula
Descriptor: CHLORIDE ION, CurA, GLYCEROL, ...
Authors:Geders, T.W, Smith, J.L.
Deposit date:2007-09-26
Release date:2007-11-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:GNAT-like strategy for polyketide chain initiation.
Science, 318, 2007
8VEO
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BU of 8veo by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEU
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BU of 8veu by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 23
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEW
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BU of 8vew by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 24
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 2024
1XZY
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BU of 1xzy by Molmil
Solution structure of the P30-trans form of Alpha Hemoglobin Stabilizing Protein (AHSP)
Descriptor: Alpha-hemoglobin stabilizing protein
Authors:Gell, D.A, Feng, L, Zhou, S, Kong, Y, Lee, C, Weiss, M.J, Shi, Y, Mackay, J.P.
Deposit date:2004-11-12
Release date:2004-12-21
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Molecular mechanism of AHSP-mediated stabilization of alpha-hemoglobin
Cell(Cambridge,Mass.), 119, 2004
2YU2
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BU of 2yu2 by Molmil
Crystal structure of hJHDM1A without a-ketoglutarate
Descriptor: FE (II) ION, JmjC domain-containing histone demethylation protein 1A
Authors:Han, Z.
Deposit date:2007-04-05
Release date:2007-04-24
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for histone demethylation by JHDM1
To be Published
2YU1
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BU of 2yu1 by Molmil
Crystal structure of hJHDM1A complexed with a-ketoglutarate
Descriptor: 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1A
Authors:Han, Z.
Deposit date:2007-04-05
Release date:2007-04-24
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for histone demethylation by JHDM1
To be Published
3BC5
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BU of 3bc5 by Molmil
X-ray crystal structure of human ppar gamma with 2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzyl)-2-phenyl-2h-1,2,3-triazol-4-yl)acetic acid
Descriptor: (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid, Peroxisome proliferator-activated receptor gamma
Authors:Muckelbauer, J.K.
Deposit date:2007-11-12
Release date:2008-11-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Design, synthesis and structure-activity relationships of azole acids as novel, potent dual PPAR alpha/gamma agonists.
Bioorg.Med.Chem.Lett., 19, 2009
3QIT
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BU of 3qit by Molmil
Thioesterase Domain From Curacin Biosynthetic Pathway
Descriptor: Polyketide synthase
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-01-27
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Terminal Alkene Formation by the Thioesterase of Curacin A Biosynthesis: STRUCTURE OF A DECARBOXYLATING THIOESTERASE.
J.Biol.Chem., 286, 2011
5GT2
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BU of 5gt2 by Molmil
Crystal Structure and Biochemical Features of dye-decolorizing peroxidase YfeX from Escherichia coli O157
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Probable deferrochelatase/peroxidase YfeX
Authors:Ma, Y.L, Yuan, Z.G, Liu, S, Wang, J.X, Gu, L.C, Liu, X.H.
Deposit date:2016-08-18
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Crystal structure and biochemical features of dye-decolorizing peroxidase YfeX from Escherichia coli O157 Asp(143) and Arg(232) play divergent roles toward different substrates
Biochem. Biophys. Res. Commun., 484, 2017
3U1T
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BU of 3u1t by Molmil
Haloalkane Dehalogenase, DmmA, of marine microbial origin
Descriptor: CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012

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