Thioesterase 3D structures

Updated on 25-November-2020 - For a general description of the protein see Thioesterase

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• Maristoyl-ACP-specific thioesterase
  • 1tht – TE – Vibrio harveyi
• 4-hydroxybenzoyl-CoA thioesterase
  • 1bvq – PsTE – Pseudomonas
    
  • 1lo7 – PsTE + 4-hydroxyphenyl CoA
    
  • 1lo9 - PsTE (mutant) + 4-hydroxybenzoyl CoA
    
  • 1lo8 - PsTE + 4-hydroxybenzyl CoA
    
  • 1q4s - ArTE + 4-hydroxybenzoate – 'Arthrobacter'
    
  • 1q4t - ArTE + 4-hydroxyphenyl CoA
    
  • 1q4u - ArTE + 4-hydroxybenzyl CoA
    
  • 3r32, 3r35, 3r37, 3r38, 3r3b, 3r3c, 3r3d, 3r3f, 3tea - ArTE (mutant) + 4-hydroxyphenacyl CoA
    
  • 3r36 - ArTE (mutant) + 4-hydroxybenzoate
    
  • 3r3a - ArTE (mutant) + 4-hydroxybenzoate + CoA
    
  • 3r34 - ArTE (mutant) + CoA
    
  • 6fdg – SaTE – Staphylococcus aureus
    
  • 5wh9 – TE – Bacillus halodurans
    
• Palmitoyl protein thioesterase
  • 3gro - hTEI - human
    
  • 1pja – hTEII
    
  • 1eh5 – bTE1 + Palmitate – bovine
    
  • 1ei9 – bTE1
    
  • 1exw – bTE1 + hexadecylsulfonyl fluoride
    
• Acyl-CoA thioesterase or acyl-CoA thioester hydrolase
  • 3hlk – hTE2
    
  • 3k2i – hTE4
    
  • 2qq2 - hTE7 C terminal
    
  • 3fo5 – hTE11 START domain
    
  • 3b7k, 4moc – hTE12
    
  • 4mob – hTE12 + ADP
    
  • 2v1o – mTE7 hotdog domain – mouse
    
  • 2q2b – mTE7 C terminal
    
  • 6vfy – mTE7 42-367 + acyl-CoA TE hydrolase + CoA
    
  • 1tbu – TEI N terminal (peroximal) – yeast
    
  • 2pzh - TE - Helicobacter pylori
    
  • 3rd7 – TE – Mycobacterium avium
    
  • 5hz4, 5hwf, 5egk – SaTE (mutant) – Staphylococcus aureus
    
  • 4egj – SaTE + CoA
    
  • 1ivn, 5tic – EcTEI – Escherichia coli
    
  • 1jrl – EcTEI (mutant)
    
  • 1j00 – EcTEI + diethyl phosphono derivative
    
  • 1v2g, 1u8u - EcTEI + octanoic acid
    
  • 5tid, 5tie, 5tif - EcTEI (mutant) + octanoic acid
    
  • 5tid, 5tie, 5tif - EcTEI (mutant) + octanoic acid
    
  • 5t06 - EcTEI (mutant) + hexanoyl-CoA
    
  • 5t07 - EcTEI (mutant) + decanoyl-CoA
    
  • 1c8u – EcTEII
    
  • 3u0a – TEII – Mycobacterium marinum
    
  • 4qfw – YpTE II – Yersinia pestis
    
  • 4r4u – YpTE II + CoA
    
  • 5szv, 5szu – NmTE + CoA – Neisseria meningitis
    
  • 5szz, 5szy – NmTE + CoA + GDP
    
  • 5v3a – NmTE + CoA + GDP
    
  • 5t02 – NmTE (mutant) + CoA + GDP
    
• Acyl protein thioesterase
  • 5sym, 6bje – hTE 1 + inhibitor
    
  • 6qgs – hTE 1 + palmitate
    
  • 6qgq, 6qgo, 6qgn – hTE 1 (mutant) + palmitate
    
  • 5syn – hTE 2 + inhibitor
    
  • 6avy – TE 2 - maize
    
  • 1fj2 – EcTEI
    
• Acyl-ACP thioesterase
  • 2ess – TE – Bacterioides thetaiotaomicron
    
  • 4gak – TE – Spirosoma linguale
    
• ACP-polyene thioesterase
  • 4i4j – TE – Streptomyces globisporus
    
• Fluoroacetyl-CoA thioesterase
  • 3kuv, 3kuw, 3kvi – ScTE (mutant) + acetate derivative – Streptomyces cattleya
    
  • 3kv7, 3kv8, 3p2r, 3p2s – ScTE + acetate derivative
    
  • 3kvu – ScTE + acetyl-CoA
    
  • 3kvz, 3kw1 – ScTE + FAcOPan
    
  • 3kx7, 3kx8, 3p2q – ScTE
    
  • 3p3f – ScTE (mutant)
    
  • 3p3i - ScTE (mutant) + acetate derivative + CoA
    
• Dihydroxynaphthoyl-CoA thioesterase
  • 4k00 – TE – Synechocystis
    
  • 4k02 – AtTE – Arabidopsis thaliana
    
• RedJ thioesterase
  • 3qmv, 3qmw – TE – Streptomyces coelicolor
• Orf6 thioesterase
  • 4i45 – TE – Photobacterium profundum
    
• thioesterase
  • 2av9, 2o5u, 2o6b, 2o6t, 2o6u, 3qy3, 4qd7 – PaTE – Pseudomonas aeruginosa
    
  • 4qda, 4qdb – PaTE (mutant)
    
  • 4qd8 – PaTE + phenacyl-CoA
    
  • 4qd9 – PaTE + benzoyl-CoA
    
• Ubiquitin thioesterase or ubiquitin carboxyl-terminal hydrolase
• Ubiquitin thioesterase 2
  • 2zfy – hUSP
    
  • 2hd5, 3nhe, 3v6c, 3v6e – hUSP + Ub
    
  • 1tff – hUSP (mutant)
    
  • 2ibi, 5xve – hUSP (mutant) + Ub
    
  • 5xu8 – hUSP + Ub + thioguanine
    
• Ubiquitin thioesterase 3
  • 2qiy – yUSP + USP-associated protein
    
• Ubiquitin thioesterase 4
  • 2y6e – hUSP catalytic domain
    
  • 5ctr – hUSP DUSP-UBL domain + SART3
    
  • 3jyu – mUSP N terminal domain
    
• Ubiquitin thioesterase 5
  • 2dag – hUSP UBA domain 1 - NMR
    
  • 2dak – hUSP UBA domain 2 - NMR
    
  • 2g43, 6dxh, 6dxt – hUSP zinc finger USP domain
    
  • 2g45 – hUSP zinc finger USP domain + Ub
    
  • 6p9g, 6nft – hUSP zinc finger USP domain + quinazoline derivative
    
  • 3ihp – hUSP + Ub
    
• Ubiquitin thioesterase 7; domains - TRAF 63-205; catalytic 207-560; UBL1 537-664; UBL2 665-865
  • 2f1z, 5j7t – hUSP
    
  • 1nb8, 4m5w, 4m5x – hUSP catalytic domain
    
  • 5kyb – hUSP catalytic domain (mutant)
    
  • 2kvr – hUSP UBL domain - NMR
    
  • 4pyz, 4wph, 4wpi – hUSP UBL domains 1+2
    
  • 5fwi, 5j7t – hUSP catalytic + UBL domains 1+2
    
  • 1yze, 2f1w – hUSP TRAF domain
    
  • 2ylm – hUSP C terminal domain
    
  • 2f1x, 2f1y, 2foj, 2foo, 2fop – hUSP TRAF domain/peptide
    
  • 4zv3 – mUSP N terminal domain
    
• Ubiquitin thioesterase 7 complexes
  • 1nbf – hUSP catalytic domain + Ub aldehyde
    
  • 5jtj, 5jtv – hUSP catalytic domain + polyubiquitin
    
  • 5whc, 5n9r, 5n9t, 5uqv, 5uqx, 6f5h, 5vsk, 5vsb, 5vs6, 5ngf, 5nge – hUSP catalytic domain + inhibitor
    
  • 5kyc, 5kyd, 5kye, 5kyf – hUSP catalytic domain (mutant) + polyubiquitin
    
  • 1yy6 – hUSP TRAF domain + EBNA1 peptide
    
  • 2xxn – hUSP TRAF domain + VIRF-4 peptide
    
  • 3mqr – hUSP TRAF domain + HDMX peptide
    
  • 3mqs – hUSP TRAF domain + HDM2 peptide
    
  • 2fop – hUSP TRAF domain + MDM2 peptide
    
  • 4jjq – hUSP TRAF domain + E2 peptide
    
  • 5gg4 – hUSP TRAF domain + E3 peptide
    
  • 4kg9 – hUSP TRAF domain + MCM-BP peptide
    
  • 4ysi, 2foj, 2foo – hUSP TRAF domain + peptide
    
  • 4yoc, 4z96, 4z97 – hUSP residues 560-1102 + DNMT1
    
  • 5c6d – hUSP UBL2 domain + UHRF1
    
  • 5c56 – hUSP residues 560-1102 + Ub E3 ligase Icp0444w
    
• Ubiquitin thioesterase 8
  • 1whb – hUSP rhodanase domain - NMR
    
  • 2gwf – hUSP rhodanase domain + NRDP1br />
  • 2a9u – hUSP N terminal domain
    
  • 2gfo – hUSP catalytic domain
    
• Ubiquitin thioesterase 8 complexes
  • 2gwf – hUSP rhodanase domain + ring finger protein 41 USP8 interaction domain
    
  • 3n3k – hUSP catalytic domain + Ub
    
  • 3mhh, 3m99, 4fip, 4fjc, 4f5k, 4fk5, 4wa6 – yUSP + SUS1 + SGF11 +SGF73
    
  • 3mhs, 6aqr – yUSP + SUS1 + SGF11 +SGF73 + Ub
    
  • 4zux – yUSP + SUS1 + SGF11 +SGF73 + Ub + Histones H3,2, H4, H2A, H2B + DNA
    
• Ubiquitin thioesterase 9
  • 5vbd – hUSP 9x UBL domain
    
• Ubiquitin thioesterase 11
  • 4mel – hUSP DUSP+UBL domains
    
  • 5ok6 – hUSP DUSP+UBL domains + peptide
    
  • 4mem – rUSP DUSP+UBL domains - rat
    
• Ubiquitin thioesterase 12
  • 5k16 – hUSP
    
  • 5k1a, 5k1b, 5k1c – hUSP + WD repeat-containing protein
    
  • 5l8w – hUSP + WD repeat-containing protein + polyubiquitin
    
• Ubiquitin thioesterase 13
  • 2l80 – hUSP zinc finger domain - NMR
    
  • 2lbc – hUSP UBA domain - NMR
    
• Ubiquitin thioesterase 14
  • 2ayn – hUSP catalytic domain
    
  • 2ayo – hUSP catalytic domain + Ub aldehyde
    
  • 6iin, 6iim, 6iil, 6iik – hUSP catalytic domain + inhibitor
    
  • 5gjq – hUSP in proteasome – Cryo EM
    
  • 1wiv – AtUSP UBA domain - NMR
    
  • 1wgg – mUSP N terminal domain - NMR
    
• Ubiquitin thioesterase 15; domains – DUSP 1-133; UBL 134-223; catalytic 255-439+757-919
  • 3lmn – hUSP DUSP domain
    
  • 1w6v – hUSP DUSP domain - NMR
    
  • 3ppa, 3pv1, 3t9l, 4a3o, 4a3p – hUSP DUSP+UBL domains
    
  • 6dj9 – hUSP DUSP domain + Ub
    
  • 6gha – hUSP catalytic domain
    
  • 5ctr, 5jjw – hUSP DUSP+UBL domains + SART HAT domain
    
  • 6ml1, 6crn, 6cpm – hUSP catalytic domain + Ub
    
  • 6gh9 – hUSP catalytic domain + quinone derivative
    
• Ubiquitin thioesterase 16
  • 2i50 – hUSP zinc finger domain - NMR
    
• Ubiquitin thioesterase 18
  • 5cht – mUSP
    
  • 5chv – mUSP + Ub-like
    
• USP 20
  • 6kcz – hUSP zinc finger + UBP domains - NMR
    
• Ubiquitin thioesterase 21
  • 3i3t, 2y5b – hUSP + Ub
    
  • 3mtn – hUSP + Ub inhibitor
    
• Ubiquitin thioesterase 25
  • 5o71 – hUSP
    
  • 6hem, 6h4k – hUSP C terminal
    
  • 6hel, 6h4j – hUSP residues 157-714
    
  • 1vdl – mUSP catalytic domain
    
• Ubiquitin thioesterase 28;; domains – catalytic 149-399
  • 6hej – hUSP residues 149-703
    
  • 2lva, 2muu, 2mux – hUSP N terminal - NMR
    
  • 6h4i – hUSP catalytic domain
    
  • 6heh – hUSP catalytic domain (mutant)
    
  • 6hek – hUSP residues 149-703 + Ub
    
  • 6hei, 6h4h – hUSP catalytic domain (mutant) + Ub
    
• Ubiquitin thioesterase 30
  • 5ohp – hUSP (mutant) + diubiquitin
    
  • 5ohk, 5ohn – hUSP (mutant) + polyubiquitin
    
• Ubiquitin thioesterase 33
  • 2uzg – hUSP zinc finger domain - NMR
    
• Ubiquitin thioesterase 35
  • 5txk – hUSP (mutant) + polyubiquitin
    
• Ubiquitin thioesterase 37
  • 3ihr – hUSP (mutant)
    
  • 3a7s – hUSP catalytic domain (mutant)
    
  • 3u12 – hUSP pleckstrin domain
    
• Ubiquitin thioesterase 38
  • 4rxx – hUSP N terminal
    
• Ubiquitin thioesterase 46
  • 5cvm, 5l8h – hUSP + Ub
    
  • 5cvn, 5cvo – hUSP + WDR48 + Ub
    
  • 6jlq – hUSP + WDR48 + WDR20
    
• Ubiquitin thioesterase Cyld
  • 2vhf – hUSP USP domain
    
• Ubiquitin thioesterase L1
  • 2etl – hUSP-L1
    
  • 3irt, 4jkj – hUSP (mutant)
    
  • 2len – hUSP (mutant) - NMR
    
  • 3ifw, 3kvf, 3kw5 – hUSP (mutant) + Ub
    
  • 4dm9 – hUSP + peptide inhibitor
    
• Ubiquitin thioesterase L3 or UCH-L3
  • 1uch – hUSP-L3
    
  • 1xd3 – hUSP-L3 + UBC
    
  • 6isu – hUSP-L3 + Ub
    
  • 2we6 – PfUSP-L3 – Plasmodium falciparum
    
  • 2wdt – PfUSP-L3 + Ub
    
• Ubiquitin thioesterase L5
  • 3ris – hUSP catalytic domain
    
  • 3rii, 3a7s – hUSP catalytic domain (mutant)
    
  • 3tb3 – hUSP UCH domain (mutant)
    
  • 3ihr – hUSP-L5 (mutant)
    
  • 4uel – hUSP-L5 + polyUb + proteasomal Ub receptor Deubad domain
    
  • 4uem – hUSP-L5 + proteasomal Ub receptor Deubad domain
    
  • 4uf5, 4wlp – hUSP-L5 + nuclear factor Deubad domain
    
  • 4uf6 – hUSP-L5 + polyUb + nuclear factor Deubad domain
    
  • 4wlq – mUSP-L5 + proteasomal Ub receptor C terminal
    
  • 4wlr – mUSP-L5 + polyUb + proteasomal Ub receptor C terminal
    
• Ubiquitin thioesterase ZranB1
  • 3zrh – hUSP
    
  • 4s1z – bUSP zinc finger + Ub
    
• Ubiquitin thioesterase OTUB1
  • 3von – hUSP + E2
    
  • 4ddg, 4ddi – hUSP + Ub
    
  • 4i6l – hUSP (mutant) + Ub
    
  • 4dhz, 4ldt – hUSP + E2 + Ub
    
  • 4boq - hUSP OTU domain
    
  • 4boz - hUSP OTU domain (mutant) + Ub
    
  • 4bos - hUSP OTU domain (mutant) + Ub + OTUD2 peptide
    
  • 4dhi – nUSP + E2
    
  • 2kzr – mUSP UBX-like domain – NMR
    
  • 4dhj – nUSP + E2 + Ub - nematode
    
  • 4kdi, 4kdl – yUSP UBX-like domain + transitional endoplasmic reticulum ATPase
    
  • 3by4, 3c0r - yUSP OTU domain + Ub
    
• USP OTUB2
  • 5qiz, 5qiy, 5qix, 5qiw, 5qiu, 5qiv, 5qis, 5qit, 5qio, 5qip, 5qiq, 5qir – hUSP OTUB2 + ligand
    
  • 4fjv - hUSP OTUB2 + Ub
    
• USP OTULIN; Domains – OUT 80-345
  • 6i9c – hUSP OTU domain (mutant)
    
  • 5oe7 – hUSP OUT domain + Ub
    
  • 6sak – hUSP OUT domain (mutant) + sorting nexin-27
    
• Ubiquitin thioesterase
  • 3znh – USP OTU domain + Ub – Crimean-Congo hemorrhagic fever virus
    
• Pseudomonas aeruginosa TE
  • 2av9, 2o5u, 2o6b, 2o6t, 2o6u, 3qy3 – PaTE – Pseudomonas aeruginosa
    
  • 4qd7 – PaTE hotdog domain
    
  • 4qda, 4qdb – PaTE hotdog domain (mutant)
    
  • 4qd8, 4dq9 – PaTE hotdog domain + acyl-CoA derivatives
    
• Thioesterase
  • 5vpj – TE – Actinomadura verrucosospora
    
  • 5dio, 5byu – TE – Legionella pneumophila
    
  • 6fvj – TE – Mycobacterium tuberculosis
    

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Michal Harel, Joel L. Sussman, Jaime Prilusky