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Dataset Title Dataset ID Primary Publications Keywords
Crystal structure of Type III Rubisco SP4 mutant complexed with 2-CABP and activated with Ca PDB:3A13 Sturcture-based optimization of a Type III Rubisco from a hyperthermophile
ribulose-1
Crystal structure of Type III Rubisco SP4 mutant complexed with 2-CABP PDB:3KDN Structure-based catalytic optimization of a type III Rubisco from a hyperthermophile
ribulose-1
Cleaved Serpin 42Da PDB:4P0O High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
Hydrolase inhibitor
Serpin 4
Serpin 42Da
Serine protease inhibtior
neuroserpin
hydrolase inhibitor
Cleaved Serpin 42Da (C 2 2 21) PDB:4P0F High resolution structure of cleaved Serpin 42 Da from Drosophila melanogaster.
HYDROLASE INHIBITOR
Serpin 42Da
Serpin 4
Serine protease inhibitor
neuroserpin
Drosophila
Solution NMR structure of lipoprotein spr from Escherichia coli K12. Northeast Structural Genomics target ER541-37-162 PDB:2K1G Solution NMR structure of the NlpC/P60 domain of lipoprotein Spr from Escherichia coli: structural evidence for a novel cysteine peptidase catalytic triad.
S
LIPOPROTEIN
solution NMR structure
bacterial lipoprotein
cysteine peptidase
NplC/P60 family
construct optimized
Membrane
Palmitate
Structural Genomics
PSI-2
Protein Structure Initiative
Northeast Structural Genomics Consortium
NESG
LIPOPROTEIN
VIM-2-1, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening PDB:5ACW Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
D
HYDROLASE
HYDROLASE
Crystal Structure of Human Sepiapterin Reductase in complex with NADP+ PDB:1Z6Z Crystal Structure of Human Sepiapterin Reductase
OXIDOREDUCTASE
short-chain dehydrogenase/reductase
sepiapterin reductase
human
Structural Genomics
Structural Genomics Consortium
SGC
OXIDOREDUCTASE
SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors PDB:4I0J SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors
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hydrolase/hydrolase inhibitor
BACE Asp protease
hydrolysis

hydrolase-hydrolase inhibitor complex
SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors PDB:4I0I SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors
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hydrolase/hydrolase inhibitor
BACE
Aspartic protease
hydrolysis
hydrolase-hydrolase inhibitor complex
VIM-2-2, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening PDB:5ACX Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
D
HYDROLASE
HYDROLASE
Crystal structure of human sepiapterin reductase in complex with sulfasalazine PDB:4J7X Crystal structure of human sepiapterin reductase in complex with sulfasalazine
OXIDOREDUCTASE
Reductase
OXIDOREDUCTASE
VIM-2-OX, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening PDB:5ACV Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
D
HYDROLASE
HYDROLASE
VIM-2-NAT, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening PDB:5ACU Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening
D
HYDROLASE
HYDROLASE
Crystal structure of human sepiapterin reductase in complex with an N-acetylserotinin analogue PDB:4XWY Reduction of Neuropathic and Inflammatory Pain through Inhibition of the Tetrahydrobiopterin Pathway.
OXIDOREDUCTASE
oxidoreductase
inhibitor
complex
Crystal structure of human sepiapterin reductase in complex with sulfapyridine PDB:4HWK Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
OXIDOREDUCTASE/ANTIBIOTIC
Reductase
OXIDOREDUCTASE-ANTIBIOTIC complex
SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors. PDB:4I0H SPR and structural analysis yield insight towards mechanism of inhibition of BACE inhibitors
<
hydrolase/hydrolase inhibitor
BACE
Asp protease
hydrolysis
hydrolase-hydrolase inhibitor complex
Crystal structure of human sepiapterin reductase in complex with sulfathiazole PDB:4J7U Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
OXIDOREDUCTASE/ANTIBIOTIC
Reductase
OXIDOREDUCTASE-ANTIBIOTIC complex
Human sepiapterin reductase in complex with the cofactor NADP+ and the trypthophan metabolite xanthurenic acid PDB:4Z3K Tetrahydrobiopterin Biosynthesis as a Potential Target of the Kynurenine Pathway Metabolite Xanthurenic Acid.
OXIDOREDUCTASE
sepiapterin-reductase
xanthurenic acid
inhibitor
tryptophan-metabolite
oxidoreductase
Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide) PDB:4W5B Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease.
SPR
Chlorobium tepidum Sepiapterin Reductase complexed with NADP and Sepiapterin PDB:2BD0 Structure of Chlorobium tepidum sepiapterin reductase complex reveals the novel substrate binding mode for stereospecific production of L-threo-tetrahydrobiopterin
OXIDOREDUCTASE
sepiapterin reductase
Chlorobium tepidum
OXIDOREDUCTASE