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Structure paper

TitleCrystal structure of Endothiapepsin
Journal, issue, pagesTo be published
Publish dateAug 4, 2017 (structure data deposition date)
AuthorsHuschmann, F.U. / Weiss, M.S. / Mueller, U. / Haustedt, L.O. / Klebe, G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.123 - 1.759 Å
Structure data

PDB-5qb5:
Crystal structure of Endothiapepsin-FRG056 complex
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-5qb6:
Crystal structure of Endothiapepsin-FRG062 complex
Method: X-RAY DIFFRACTION / Resolution: 1.538 Å

PDB-5qb7:
Crystal structure of Endothiapepsin-FRG075 complex
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-5qb8:
Crystal structure of Endothiapepsin-FRG080 complex
Method: X-RAY DIFFRACTION / Resolution: 1.24 Å

PDB-5qb9:
Crystal structure of Endothiapepsin-FRG081 complex
Method: X-RAY DIFFRACTION / Resolution: 1.478 Å

PDB-5qba:
Crystal structure of Endothiapepsin-FRG134 complex
Method: X-RAY DIFFRACTION / Resolution: 1.338 Å

PDB-5qbb:
Crystal structure of Endothiapepsin-FRG140 complex
Method: X-RAY DIFFRACTION / Resolution: 1.759 Å

PDB-5qbc:
Crystal structure of Endothiapepsin-FRG164 complex
Method: X-RAY DIFFRACTION / Resolution: 1.449 Å

PDB-5qbd:
Crystal structure of Endothiapepsin-FRG166 complex
Method: X-RAY DIFFRACTION / Resolution: 1.419 Å

PDB-5qbe:
Crystal structure of Endothiapepsin-FRG175 complex
Method: X-RAY DIFFRACTION / Resolution: 1.498 Å

PDB-5qbf:
Crystal structure of Endothiapepsin-FRG203 complex
Method: X-RAY DIFFRACTION / Resolution: 1.268 Å

PDB-5qbg:
Crystal structure of Endothiapepsin-FRG245 complex
Method: X-RAY DIFFRACTION / Resolution: 1.697 Å

PDB-5qbh:
Crystal structure of Endothiapepsin-FRG270 complex
Method: X-RAY DIFFRACTION / Resolution: 1.469 Å

PDB-5qbi:
Crystal structure of Endothiapepsin-FRG274 complex
Method: X-RAY DIFFRACTION / Resolution: 1.624 Å

PDB-5qbj:
Crystal structure of Endothiapepsin-FRG283 complex
Method: X-RAY DIFFRACTION / Resolution: 1.699 Å

PDB-5qbk:
Crystal structure of Endothiapepsin-NAT17-347144 complex
Method: X-RAY DIFFRACTION / Resolution: 1.279 Å

PDB-5qbl:
Crystal structure of Endothiapepsin-NAT17-347147 complex
Method: X-RAY DIFFRACTION / Resolution: 1.619 Å

PDB-5qbm:
Crystal structure of Endothiapepsin-NAT17-347151 complex
Method: X-RAY DIFFRACTION / Resolution: 1.569 Å

PDB-5qbn:
Crystal structure of Endothiapepsin-NAT14-350193 complex
Method: X-RAY DIFFRACTION / Resolution: 1.403 Å

PDB-5qbo:
Crystal structure of Endothiapepsin-NAT17-347283 complex
Method: X-RAY DIFFRACTION / Resolution: 1.123 Å

PDB-5qbp:
Crystal structure of Endothiapepsin-NAT17-347290a complex
Method: X-RAY DIFFRACTION / Resolution: 1.297 Å

PDB-5qbq:
Crystal structure of Endothiapepsin
Method: X-RAY DIFFRACTION / Resolution: 1.697 Å

PDB-5qbr:
Crystal structure of Endothiapepsin
Method: X-RAY DIFFRACTION / Resolution: 1.418 Å

PDB-5qbs:
Crystal structure of Endothiapepsin-NAT17-346976 complex
Method: X-RAY DIFFRACTION / Resolution: 1.528 Å

PDB-5qbt:
Crystal structure of Endothiapepsin-NAT17-346985 complex
Method: X-RAY DIFFRACTION / Resolution: 1.299 Å

Chemicals

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-D5V:
(1S,2S,3S,4R,5R)-2-amino-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-HOH:
WATER

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-D5Y:
methyl 3-(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alaninate

ChemComp-D6A:
(3R,5R)-5-{3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidin-3-ol

ChemComp-D6D:
(1S,2S,3S,4R,5R)-2-amino-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-D6S:
(1S,2S,3S,4R,5R)-2-amino-4-[benzyl(methyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-D6V:
2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole

ChemComp-D6Y:
3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine

ChemComp-D74:
(1R,2S,3R,4R)-3-amino-4-(3-methylphenyl)cyclopentane-1,2-diol

ChemComp-D8A:
(1R,2S,3R,4R)-3-amino-4-cyclohexylcyclopentane-1,2-diol

ChemComp-D8D:
1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-L-proline

ChemComp-D8J:
2-amino-1,4-anhydro-2,5-dideoxy-5-[(4-fluorobenzene-1-carbonyl)amino]-D-arabinitol

ChemComp-8KB:
(6~{R})-1,4-oxazepan-6-ol

ChemComp-D8M:
2-[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-(pyridin-2-ylmethyl)acetamide

ChemComp-D8P:
[(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol

ChemComp-D8V:
4-(2-{[methyl(prop-2-yn-1-yl)amino]methyl}-1,3-thiazol-4-yl)piperidin-4-ol

ChemComp-D97:
(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(quinolin-3-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-D9D:
(1S,2S,3S,4R,5R)-2-({[5-(hydroxymethyl)furan-2-yl]methyl}amino)-4-(morpholin-4-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-D9M:
(1S,2S,3S,4R,5R)-4-(morpholin-4-yl)-2-[(pyridin-4-ylmethyl)amino]-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-D9S:
2-{(3R,4S)-3-[(5-{[benzyl(methyl)amino]methyl}-1,2-oxazol-3-yl)methyl]piperidin-4-yl}-N-(1,3-thiazol-2-yl)acetamide

ChemComp-D9V:
(1S,2S,3S,4R,5R)-2-[(furan-2-ylmethyl)amino]-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-D9Y:
1-cyclohexyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-(piperidin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea

ChemComp-DC7:
4-[2-({methyl[(pyridin-3-yl)methyl]amino}methyl)-1,3-thiazol-4-yl]piperidin-4-ol

ChemComp-DD4:
(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

ChemComp-DD7:
(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-DDV:
(1S,2S,3S,4R,5R)-2-[(cyclopropylmethyl)amino]-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol

Source
  • cryphonectria parasitica (chestnut blight fungus)
KeywordsHYDROLASE

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