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Structure paper

TitleCrystallization of bi-functional ligand protein complexes.
Journal, issue, pagesJ. Struct. Biol., Vol. 182, Page 246-254, Year 2013
Publish dateSep 11, 2012 (structure data deposition date)
AuthorsAntoni, C. / Vera, L. / Devel, L. / Catalani, M.P. / Czarny, B. / Cassar-Lajeunesse, E. / Nuti, E. / Rossello, A. / Dive, V. / Stura, E.A.
External linksJ. Struct. Biol. / PubMed:23567804
MethodsX-ray diffraction
Resolution1.43 - 2.902 Å
Structure data

PDB-4h1q:
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

PDB-4h2e:
Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains
Method: X-RAY DIFFRACTION / Resolution: 2.902 Å

PDB-4h30:
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.43 Å

PDB-4h3x:
Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain
Method: X-RAY DIFFRACTION / Resolution: 1.764 Å

PDB-4h49:
Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

PDB-4h76:
Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-4h82:
Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4h84:
Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.592 Å

PDB-4hma:
Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-4i03:
Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-0XX:
N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide

ChemComp-HOH:
WATER

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-ACT:
ACETATE ION

ChemComp-BCN:
BICINE / pH buffer*YM

ChemComp-0Y3:
N,N'-bis(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-0ZD:
N,N'-bis(2-[(biphenyl-4ylsulfonyl)[(2R)-1-hydroxy-3-methyl-1-oxobutan-2-yl]-amino]ethyl)benzene-1,3-dicarboxamide

ChemComp-10B:
N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid

ChemComp-PGO:
S-1,2-PROPANEDIOL

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

ChemComp-L29:
N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)

ChemComp-PPI:
PROPANOIC ACID

ChemComp-Y38:
N-[2-(benzoylamino)ethyl]-N-(biphenyl-4-ylsulfonyl)-D-valine

ChemComp-PGR:
R-1,2-PROPANEDIOL

ChemComp-MLT:
D-MALATE

ChemComp-L88:
(4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE inhibitor / HYDROLASE/TWIN INHIBITOR / Zincin-like / Gelatinase / Collagenase (Catalytic Domain) / HYDROLASE-HYDROLASE inhibitor complex / divalent inhibitor / carboxylic twin inhibitor / Dimerisation / METZINCIN / Zinc protease / hydrolase-hydrolase inhibtior complex / HYDROLASE/HYDROXAMATE INHIBITOR / Broad spectrum MMP hydroxamate inhibitor / selective carboxylate based MMP-12 inhibitor / selective carboxylate based MMP-12 bifunctional inhibitor

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