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2V6K
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BU of 2v6k by Molmil
Structure of Maleyl Pyruvate Isomerase, a bacterial glutathione-s- transferase in Zeta class, in complex with substrate analogue dicarboxyethyl glutathione
Descriptor: ACETATE ION, GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE, MALEYLPYRUVATE ISOMERASE, ...
Authors:Shoemark, D.K, Zhou, N.-Y, Williams, P.A, Hadfield, A.T.
Deposit date:2007-07-19
Release date:2008-07-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
J.Mol.Biol., 384, 2008
2JL4
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BU of 2jl4 by Molmil
Holo structure of Maleyl Pyruvate Isomerase, a bacterial glutathione- s-transferase in Zeta class
Descriptor: GLUTATHIONE, MALEYLPYRUVATE ISOMERASE
Authors:Shoemark, D.K, Y Zhou, N, Williams, P.A, Hadfield, A.T.
Deposit date:2008-09-04
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of Bacterial Glutathione-S-Transferase Maleyl Pyruvate Isomerase and Implications for Mechanism of Isomerisation.
J.Mol.Biol., 384, 2008
4CRP
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BU of 4crp by Molmil
Solution structure of a TrkAIg2 domain construct for use in drug discovery
Descriptor: HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR
Authors:Shoemark, D.K, Fahey, M, Williams, C, Sessions, R.B, Crump, M.P, Allen-Birt, S.J.
Deposit date:2014-02-28
Release date:2015-01-14
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Design and Nuclear Magnetic Resonance (NMR) Structure Determination of the Second Extracellular Immunoglobulin Tyrosine Kinase a (Trkaig2) Domain Construct for Binding Site Elucidation in Drug Discovery
J.Med.Chem., 58, 2015
4CUJ
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BU of 4cuj by Molmil
Structure of Salmonella D-Lactate Dehydrogenase
Descriptor: D-LACTATE DEHYDROGENASE
Authors:Attarataya, J, Zaccai, N.R, Shoemark, D.K, Brady, R.L.
Deposit date:2014-03-19
Release date:2015-05-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The Structure of Salmonella D-Lactate Dehydrogenase
To be Published
6YX0
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BU of 6yx0 by Molmil
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Descriptor: 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid, PWQ-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1
Authors:Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J.
Deposit date:2020-04-30
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
6YWZ
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BU of 6ywz by Molmil
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Descriptor: 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid, ARGININE, DI(HYDROXYETHYL)ETHER, ...
Authors:Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J.
Deposit date:2020-04-30
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
6YX2
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BU of 6yx2 by Molmil
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Descriptor: 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid, PWW-THR-ARG-LEU, SH3 and multiple ankyrin repeat domains protein 1
Authors:Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J.
Deposit date:2020-04-30
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
6YX1
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BU of 6yx1 by Molmil
Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid
Descriptor: 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ...
Authors:Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J.
Deposit date:2020-04-30
Release date:2021-01-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation.
Chem Sci, 12, 2021
7JJC
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BU of 7jjc by Molmil
Crystal structure of neuropilin-1 b1 domain in complex with SARS-CoV-2 S1 C-end rule (CendR) peptide
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Neuropilin-1, ...
Authors:Chen, K.-E, Collins, B.M.
Deposit date:2020-07-25
Release date:2020-10-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Neuropilin-1 is a host factor for SARS-CoV-2 infection.
Science, 370, 2020
7A00
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BU of 7a00 by Molmil
Crystal structure of Shank1 PDZ in complex with L6F mutant of the C-terminal hexapeptide from GKAP
Descriptor: L6F mutant of C-terminal hexapeptide from Guanylate kinase-associated protein, SH3 and multiple ankyrin repeat domains protein 1
Authors:Zsofia, H, Hetherington, K, Fruzsina, H, Edwards, T.A, Wilson, A.J.
Deposit date:2020-08-05
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Query-guided protein-protein interaction inhibitor discovery.
Chem Sci, 12, 2021
7ODL
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BU of 7odl by Molmil
SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C1 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2021-04-29
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
7OD3
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BU of 7od3 by Molmil
SARS CoV-2 Spike protein, Bristol UK Deletion variant, Closed conformation, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Borucu, U, Schaffitzel, C, Berger, I.
Deposit date:2021-04-28
Release date:2022-01-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural insights in cell-type specific evolution of intra-host diversity by SARS-CoV-2.
Nat Commun, 13, 2022
4CUK
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BU of 4cuk by Molmil
Structure of Salmonella D-Lactate Dehydrogenase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-LACTATE DEHYDROGENASE
Authors:Attarataya, J, Zaccai, N.R, Brady, R.L.
Deposit date:2014-03-19
Release date:2015-05-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The Structure of Salmonella D-Lactate Dehydrogenase
To be Published
6ZB5
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BU of 6zb5 by Molmil
SARS CoV-2 Spike protein, Closed conformation, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I.
Deposit date:2020-06-07
Release date:2020-09-30
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020
6ZB4
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BU of 6zb4 by Molmil
SARS CoV-2 Spike protein, Closed conformation, C1 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, ...
Authors:Toelzer, C, Gupta, K, Yadav, S.K.N, Burucu, U, Schaffitzel, C, Berger, I.
Deposit date:2020-06-06
Release date:2020-09-30
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Free fatty acid binding pocket in the locked structure of SARS-CoV-2 spike protein.
Science, 370, 2020

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