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4XXO
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BU of 4xxo by Molmil
Crystal Structure of Human APOBEC3A
Descriptor: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3A, ZINC ION
Authors:Bohn, M.F, Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2015-01-30
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.843 Å)
Cite:The ssDNA Mutator APOBEC3A Is Regulated by Cooperative Dimerization.
Structure, 23, 2015
7KYD
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BU of 7kyd by Molmil
Drosophila melanogaster long-chain fatty-acyl-CoA synthetase CG6178
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-hydroxy(octanoyloxy)phosphoryl]adenosine, Long-chain fatty-acyl-CoA synthetase CG6178
Authors:Adams, S.T, Zephyr, J, Bohn, M.F, Schiffer, C.A, Miller, S.C.
Deposit date:2020-12-07
Release date:2022-01-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:FruitFire: a luciferase based on a fruit fly metabolic enzyme.
Biorxiv, 2023
4IOU
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BU of 4iou by Molmil
Crystal structure of the HIV-1 Vif binding, catalytically active domain of APOBEC3F
Descriptor: DNA dC->dU-editing enzyme APOBEC-3F, ZINC ION
Authors:Bohn, M, Shandilya, S.M.D, Schiffer, C.A.
Deposit date:2013-01-08
Release date:2013-05-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Crystal Structure of the DNA Cytosine Deaminase APOBEC3F: The Catalytically Active and HIV-1 Vif-Binding Domain.
Structure, 21, 2013
7TCZ
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BU of 7tcz by Molmil
Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor
Descriptor: Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate
Authors:Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S.
Deposit date:2021-12-29
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine.
Cell Chem Biol, 29, 2022
6EFK
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BU of 6efk by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide
Descriptor: ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION
Authors:Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
Deposit date:2018-08-16
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
5KEG
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BU of 5keg by Molmil
Crystal structure of APOBEC3A in complex with a single-stranded DNA
Descriptor: CALCIUM ION, CHLORIDE ION, DNA (5'-D(*TP*TP*CP*TP*T)-3'), ...
Authors:Kouno, T, Hilbert, B.J, Silvas, T, Royer, W.E, Matsuo, H, Schiffer, C.A.
Deposit date:2016-06-09
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of APOBEC3A bound to single-stranded DNA reveals structural basis for cytidine deamination and specificity.
Nat Commun, 8, 2017
6NSV
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BU of 6nsv by Molmil
Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide
Descriptor: ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ...
Authors:Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E.
Deposit date:2019-01-25
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.305 Å)
Cite:Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
7KKH
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BU of 7kkh by Molmil
P1A4 Fab in complex with ARS1620
Descriptor: (S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one, P1A4 Fab Heavy Chain, P1A4 Fab Light Chain, ...
Authors:Basu, K, Rohweder, P.J, Zhang, Z, Bohn, M.-F, Shokat, K, Craik, C.S.
Deposit date:2020-10-27
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:A covalent inhibitor of K-Ras(G12C) induces MHC class I presentation of haptenated peptide neoepitopes targetable by immunotherapy.
Cancer Cell, 40, 2022
5V5D
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BU of 5v5d by Molmil
Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 250)
Descriptor: 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-(phenylamino)benzoic acid, ORF 17
Authors:Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S.
Deposit date:2017-03-14
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases.
J. Am. Chem. Soc., 139, 2017
5V5E
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BU of 5v5e by Molmil
Room temperature (280K) crystal structure of Kaposi's sarcoma-associated herpesvirus protease in complex with allosteric inhibitor (compound 733)
Descriptor: 4-{[6-(cyclohexylmethyl)pyridine-2-carbonyl]amino}-3-{[3-(trifluoromethoxy)phenyl]amino}benzoic acid, ORF 17
Authors:Thompson, M.C, Acker, T.M, Fraser, J.S, Craik, C.S.
Deposit date:2017-03-14
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.299 Å)
Cite:Allosteric Inhibitors, Crystallography, and Comparative Analysis Reveal Network of Coordinated Movement across Human Herpesvirus Proteases.
J. Am. Chem. Soc., 139, 2017
8FYU
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BU of 8fyu by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 10mer acetylated tau peptide
Descriptor: ACE-SER-SER-THR-GLY-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
Authors:Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
Deposit date:2023-01-26
Release date:2023-08-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.84839141 Å)
Cite:Phosphorylation of a Cleaved Tau Proteoform at a Single Residue Inhibits Binding to the E3 Ubiquitin Ligase, CHIP.
Biorxiv, 2023
8GCK
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BU of 8gck by Molmil
Crystal structure of the human CHIP-TPR domain in complex with a 6mer acetylated tau peptide
Descriptor: ACE-SER-ILE-ASP-MET-VAL-ASP, E3 ubiquitin-protein ligase CHIP
Authors:Wucherer, K, Bohn, M.F, Basu, K, Nadel, C.M, Gestwicki, J.E, Craik, C.S.
Deposit date:2023-03-02
Release date:2024-03-06
Method:X-RAY DIFFRACTION (1.36823535 Å)
Cite:Intersecting PTMs regulate clearance of pathogenic tau by the ubiquitin ligase CHIP.
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PDB entries from 2024-03-27

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