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5M4V
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BU of 5m4v by Molmil
X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor
Descriptor: CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL
Authors:Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N.
Deposit date:2016-10-19
Release date:2017-05-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3VCR
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BU of 3vcr by Molmil
Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica
Descriptor: PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase
Authors:Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-01-04
Release date:2012-01-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
1X8H
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BU of 1x8h by Molmil
The Mono-Zinc Carbapenemase CphA (N220G mutant) Shows a Zn(II)- NH2 ARG Coordination
Descriptor: Beta-lactamase, CARBONATE ION, GLYCEROL, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
3LQY
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BU of 3lqy by Molmil
Crystal structure of putative isochorismatase hydrolase from Oleispira antarctica
Descriptor: GLYCEROL, putative isochorismatase hydrolase
Authors:Goral, A, Chruszcz, M, Kagan, O, Cymborowski, M, Savchenko, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-10
Release date:2010-03-16
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of a putative isochorismatase hydrolase from Oleispira antarctica.
J.Struct.Funct.Genom., 13, 2012
6OMS
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BU of 6oms by Molmil
Arabidopsis GH3.12 with Chorismate
Descriptor: (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid, 4-substituted benzoates-glutamate ligase GH3.12, ADENOSINE MONOPHOSPHATE
Authors:Zubieta, C, Westfall, C.S, Holland, C.K, Jez, J.M.
Deposit date:2019-04-19
Release date:2019-10-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Brassicaceae-specific Gretchen Hagen 3 acyl acid amido synthetases conjugate amino acids to chorismate, a precursor of aromatic amino acids and salicylic acid.
J.Biol.Chem., 294, 2019
5EDC
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BU of 5edc by Molmil
human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A
Descriptor: 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte, ...
Authors:Rudolph, M.G, Ehler, A.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5EDG
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BU of 5edg by Molmil
human PDE10A in complex with 3-(2-Chloro-5-phenyl-3H-imidazol-4-yl)-1-(3-trifluoromethoxy-phenyl)-1H-pyridazin-4-one at 2.30A
Descriptor: 3-(2-chloranyl-5-phenyl-1~{H}-imidazol-4-yl)-1-[3-(trifluoromethyloxy)phenyl]pyridazin-4-one, MAGNESIUM ION, ZINC ION, ...
Authors:Joseph, C, Rudolph, M.G.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2016-05-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
5EDB
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BU of 5edb by Molmil
human fatty acid binding protein 4 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid at 1.18A
Descriptor: 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid, Fatty acid-binding protein, adipocyte
Authors:Rudolph, M.G, Ehler, A.
Deposit date:2015-10-21
Release date:2016-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
2GAQ
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BU of 2gaq by Molmil
NMR SOLUTION STRUCTURE OF THE FRB DOMAIN OF mTOR
Descriptor: FKBP12-rapamycin complex-associated protein
Authors:Leone, M, Pellecchia, M.
Deposit date:2006-03-09
Release date:2006-08-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The FRB Domain of mTOR: NMR Solution Structure and Inhibitor Design.
Biochemistry, 45, 2006
4WL0
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BU of 4wl0 by Molmil
Ligand-free structure of human platelet phosphofructokinase in an R-state, crystal form I
Descriptor: ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION
Authors:Kloos, M, Strater, N.
Deposit date:2014-10-05
Release date:2015-06-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Crystal structure of human platelet phosphofructokinase-1 locked in an activated conformation.
Biochem.J., 469, 2015
3M0P
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BU of 3m0p by Molmil
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 4.
Descriptor: SULFATE ION, Spectrin alpha chain, brain
Authors:Camara-Artigas, A, Gavira, J.A.
Deposit date:2010-03-03
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011
3M0S
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BU of 3m0s by Molmil
Crystal Structure of the R21D mutant of alpha-spectrin SH3 domain. Crystal obtained in ammonium sulphate at pH 7
Descriptor: SULFATE ION, Spectrin alpha chain, brain
Authors:Camara-Artigas, A, Gavira, J.A.
Deposit date:2010-03-03
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Understanding the polymorphic behaviour of a mutant of the alpha-spectrin SH3 domain by means of two 1.1 A structures
Acta Crystallogr.,Sect.D, 2011
1X8I
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BU of 1x8i by Molmil
Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem
Descriptor: 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
1X8G
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BU of 1x8g by Molmil
Crystal Structure of the Mono-Zinc Carbapenemase CphA from Aeromonas Hydrophyla
Descriptor: Beta-lactamase, CARBONATE ION, SULFATE ION, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-08-18
Release date:2004-12-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem
J.Mol.Biol., 345, 2005
2FU7
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BU of 2fu7 by Molmil
Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (Cu-substituted form)
Descriptor: 1,10-PHENANTHROLINE, COPPER (II) ION, GLYCEROL, ...
Authors:Nauton, L, Garau, G, Kahn, R, Dideberg, O.
Deposit date:2006-01-26
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
2FU8
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BU of 2fu8 by Molmil
Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (d-captopril complex)
Descriptor: 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, GLYCEROL, Metallo-beta-lactamase L1, ...
Authors:Nauton, L, Garau, G, Kahn, R, Dideberg, O.
Deposit date:2006-01-26
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
2FU6
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BU of 2fu6 by Molmil
Zinc-beta-lactamase l1 from stenotrophomonas maltophilia (apo form)
Descriptor: GLYCEROL, Metallo-beta-lactamase L1, SULFATE ION
Authors:Nauton, L, Garau, G, Kahn, R, Dideberg, O.
Deposit date:2006-01-26
Release date:2007-01-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (apo form)
To be Published
6GYG
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BU of 6gyg by Molmil
X-ray structure of the apo form of the establishement gene regulator Reg576 of the G+ plasmid p576
Descriptor: Transcription regulator Reg576
Authors:Crespo, I, Meijer, W.J.J, Boer, D.R.
Deposit date:2018-06-29
Release date:2018-10-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel regulatory mechanism of establishment genes of conjugative plasmids.
Nucleic Acids Res., 46, 2018
8ALM
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BU of 8alm by Molmil
X-ray structure of human NCS-1 bound to Ric-8A
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Munoz-Reyes, D, Sanchez-Barrena, M.J.
Deposit date:2022-08-01
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85402 Å)
Cite:The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A.
Elife, 12, 2023
8AHY
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BU of 8ahy by Molmil
X-ray structure of human NCS-1 bound to Ric-8A
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Munoz-Reyes, D, Sanchez-Barrena, M.J.
Deposit date:2022-07-25
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A.
Elife, 12, 2023
8ALH
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BU of 8alh by Molmil
X-ray structure of human NCS-1 bound to Ric-8A
Descriptor: CALCIUM ION, CHLORIDE ION, GLYCEROL, ...
Authors:Munoz-Reyes, D, Sanchez-Barrena, M.J.
Deposit date:2022-08-01
Release date:2023-12-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The neuronal calcium sensor NCS-1 regulates the phosphorylation state and activity of the G alpha chaperone and GEF Ric-8A.
Elife, 12, 2023
6PF0
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BU of 6pf0 by Molmil
SOLID-STATE NMR STRUCTURE OF PISCIDIN 1 IN ALIGNED 4:1 PHOSPHATIDYLCHOLINE/CHOLESTEROL LIPID BILAYERS
Descriptor: Moronecidin
Authors:Greenwood, A.I, Cairns, L.S, Fu, R, Cotten, M.L.
Deposit date:2019-06-21
Release date:2019-10-16
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The host-defense peptide piscidin P1 reorganizes lipid domains in membranes and decreases activation energies in mechanosensitive ion channels.
J.Biol.Chem., 294, 2019
6PEZ
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BU of 6pez by Molmil
SOLID-STATE NMR STRUCTURE OF PISCIDIN 3 IN ALIGNED 4:1 PHOSPHATIDYLCHOLINE/CHOLESTEROL LIPID BILAYERS
Descriptor: Piscidin-3
Authors:Greenwood, A.I, Cairns, L.S, Fu, R, Cotten, M.L.
Deposit date:2019-06-21
Release date:2019-10-16
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:The host-defense peptide piscidin P1 reorganizes lipid domains in membranes and decreases activation energies in mechanosensitive ion channels.
J.Biol.Chem., 294, 2019
8C9J
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BU of 8c9j by Molmil
Crystal structure of human NQO1 by serial femtosecond crystallography
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
Authors:Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A.
Deposit date:2023-01-23
Release date:2023-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
7NTQ
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BU of 7ntq by Molmil
Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Dupre, E, Villeret, V, Hanoulle, X.
Deposit date:2021-03-10
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.495 Å)
Cite:Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses.
Eur.J.Med.Chem., 250, 2023

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PDB entries from 2024-07-03

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