PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules.
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Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitorsStructure-function analysis of water-soluble inhibitors of the catalytic domain of exotoxin A from Pseudomonas aeruginosaStructural basis for m3G-cap-mediated nuclear import of spliceosomal UsnRNPs by snurportin1Structural and mechanistic insight into the basis of mucopolysaccharidosis IIIBElucidating the inhibition mechanism of HIV-1 non-nucleoside reverse transcriptase inhibitors through multicopy molecular dynamics simulationsDopamine D1 receptor agonist and D2 receptor antagonist effects of the natural product (-)-stepholidine: molecular modeling and dynamics simulationsSwissParam: A fast force field generation tool for small organic moleculesSulfamethoxazole induces a switch mechanism in T cell receptors containing TCRVβ20-1, altering pHLA recognitionNew insights into the in silico prediction of HIV protease resistance to nelfinavirStructure of tagatose-1,6-bisphosphate aldolase. Insight into chiral discrimination, mechanism, and specificity of class II aldolasesHigh-resolution structures of a chitinase complexed with natural product cyclopentapeptide inhibitors: mimicry of carbohydrate substrateCrystal structures of allosamidin derivatives in complex with human macrophage chitinaseThe structural basis for the mutagenicity of O6-methyl-guanine lesionsCrystal structure of human butyrylcholinesterase and of its complexes with substrate and productsStructural basis for UCN-01 (7-hydroxystaurosporine) specificity and PDK1 (3-phosphoinositide-dependent protein kinase-1) inhibitionStructure-based incorporation of 6-methyl-8-(2-deoxy-beta-ribofuranosyl)isoxanthopteridine into the human telomeric repeat DNA as a probe for UP1 binding and destabilization of G-tetrad structuresExploration of the P6/P7 region of the peptide-binding site of the human class II major histocompatability complex protein HLA-DR1Interactions of a family 18 chitinase with the designed inhibitor HM508 and its degradation product, chitobiono-delta-lactoneCrystal Structure of Bacillus subtilis -Amylase in Complex with AcarboseStructures of the N-terminal modules imply large domain motions during catalysis by methionine synthaseStructure and Kinetics of Monofunctional Proline Dehydrogenase from Thermus thermophilusStructural and energetic aspects of Grb2-SH2 domain-swappingCrystal structure of the VP4 protease from infectious pancreatic necrosis virus reveals the acyl-enzyme complex for an intermolecular self-cleavage reactionStructural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamicsEnantiomer-Specific Binding of Ruthenium(II) Molecular Wires by the Amine Oxidase of Arthrobacter globiformisCharacterization of the Structural Features and Interactions of Sclerostin: MOLECULAR INSIGHT INTO A KEY REGULATOR OF Wnt-MEDIATED BONE FORMATIONCrystal Structure of Baeyer−Villiger Monooxygenase MtmOIV, the Key Enzyme of the Mithramycin Biosynthetic Pathway,Structural Basis of APH(3')-IIIa-Mediated Resistance to N1-Substituted Aminoglycoside AntibioticsGlycal Formation in Crystals of Uridine Phosphorylase ,The Crystal Structure of the Active Form of the C-Terminal Kinase Domain of Mitogen- and Stress-Activated Protein Kinase 1Structure of cinaciguat (BAY 58-2667) bound to Nostoc H-NOX domain reveals insights into heme-mimetic activation of the soluble guanylyl cyclase.Design, Synthesis, and Crystal Structures of 6-Alkylidene-2′-Substituted Penicillanic Acid Sulfones as Potent Inhibitors of Acinetobacter baumannii OXA-24 CarbapenemaseHigh-resolution crystal structures of the flavoprotein NrdI in oxidized and reduced states--an unusual flavodoxin. Structural biologyDomain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes,Dihydroquinazolines as a Novel Class of Trypanosoma brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of their Binding Mode by Protein CrystallographyStructures of Cytochrome P450 2B6 Bound to 4-Benzylpyridine and 4-(4-Nitrobenzyl)pyridine: Insight into Inhibitor Binding and Rearrangement of Active Site Side ChainsSynthesis and Characterization of the Arylomycin Lipoglycopeptide Antibiotics and the Crystallographic Analysis of Their Complex with Signal PeptidaseInsights into BAY 60-2770 Activation and S -Nitrosylation-Dependent Desensitization of Soluble Guanylyl Cyclase via Crystal Structures of Homologous Nostoc H-NOX Domain ComplexesStructural and Thermodynamic Basis of (+)-α-Pinene Binding to Human Cytochrome P450 2B6Atomic resolution of the crystal structure of the hyperthermophilic family 12 endocellulase and stabilizing role of the DxDxDG calcium-binding motif in Pyrococcus furiosus
P2860
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P2860
PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules.
description
1996 nî lūn-bûn
@nan
1996年の論文
@ja
1996年学术文章
@wuu
1996年学术文章
@zh
1996年学术文章
@zh-cn
1996年学术文章
@zh-hans
1996年学术文章
@zh-my
1996年学术文章
@zh-sg
1996年學術文章
@yue
1996年學術文章
@zh-hant
name
PRODRG, a program for generati ...... oordinates of small molecules.
@en
PRODRG, a program for generati ...... oordinates of small molecules.
@nl
type
label
PRODRG, a program for generati ...... oordinates of small molecules.
@en
PRODRG, a program for generati ...... oordinates of small molecules.
@nl
prefLabel
PRODRG, a program for generati ...... oordinates of small molecules.
@en
PRODRG, a program for generati ...... oordinates of small molecules.
@nl
P2093
P356
P1476
PRODRG, a program for generati ...... oordinates of small molecules.
@en
P2093
D M van Aalten
J B Findlay
M Hendlich
P2888
P304
P356
10.1007/BF00355047
P50
P577
1996-06-01T00:00:00Z