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1.
FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening.
J Chem Inf Model
; 61(4): 2074-2089, 2021 04 26.
Article
in English
| MEDLINE | ID: mdl-33724022
2.
MEDICASCY: A Machine Learning Approach for Predicting Small-Molecule Drug Side Effects, Indications, Efficacy, and Modes of Action.
Mol Pharm
; 17(5): 1558-1574, 2020 05 04.
Article
in English
| MEDLINE | ID: mdl-32237745
3.
Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins
; 87(12): 1037-1057, 2019 12.
Article
in English
| MEDLINE | ID: mdl-31442339
4.
Structure and specificity of a permissive bacterial C-prenyltransferase.
Nat Chem Biol
; 13(4): 366-368, 2017 04.
Article
in English
| MEDLINE | ID: mdl-28166207
5.
FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules.
J Chem Inf Model
; 58(11): 2343-2354, 2018 11 26.
Article
in English
| MEDLINE | ID: mdl-30278128
6.
OleD Loki as a Catalyst for Tertiary Amine and Hydroxamate Glycosylation.
Chembiochem
; 18(4): 363-367, 2017 02 16.
Article
in English
| MEDLINE | ID: mdl-28067448
7.
Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry
; 55(36): 5142-54, 2016 09 13.
Article
in English
| MEDLINE | ID: mdl-27560143
8.
Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase.
J Am Chem Soc
; 138(34): 10905-15, 2016 08 31.
Article
in English
| MEDLINE | ID: mdl-27490479
9.
The reductive half-reaction of xanthine dehydrogenase from Rhodobacter capsulatus: the role of Glu232 in catalysis.
J Biol Chem
; 289(46): 32121-32130, 2014 Nov 14.
Article
in English
| MEDLINE | ID: mdl-25258317
10.
Structure and substrate specificity of a eukaryotic fucosidase from Fusarium graminearum.
J Biol Chem
; 289(37): 25624-38, 2014 Sep 12.
Article
in English
| MEDLINE | ID: mdl-25086049
11.
Substrate orientation and specificity in xanthine oxidase: crystal structures of the enzyme in complex with indole-3-acetaldehyde and guanine.
Biochemistry
; 53(3): 533-41, 2014 Jan 28.
Article
in English
| MEDLINE | ID: mdl-24397336
12.
X-ray crystal structure of a xanthine oxidase complex with the flavonoid inhibitor quercetin.
J Nat Prod
; 77(7): 1693-9, 2014 Jul 25.
Article
in English
| MEDLINE | ID: mdl-25060641
13.
Substrate orientation and catalytic specificity in the action of xanthine oxidase: the sequential hydroxylation of hypoxanthine to uric acid.
J Biol Chem
; 285(36): 28044-53, 2010 Sep 03.
Article
in English
| MEDLINE | ID: mdl-20615869
14.
X-ray crystal structure of arsenite-inhibited xanthine oxidase: µ-sulfido,µ-oxo double bridge between molybdenum and arsenic in the active site.
J Am Chem Soc
; 133(32): 12414-7, 2011 Aug 17.
Article
in English
| MEDLINE | ID: mdl-21761899
15.
Crystal Structure of α-Xylosidase from Aspergillus niger in Complex with a Hydrolyzed Xyloglucan Product and New Insights in Accurately Predicting Substrate Specificities of GH31 Family Glycosidases.
ACS Sustain Chem Eng
; 8(6): 2540-2547, 2020 Feb 17.
Article
in English
| MEDLINE | ID: mdl-32161692
16.
Differential kinase activity of ACVR1 G328V and R206H mutations with implications to possible TßRI cross-talk in diffuse intrinsic pontine glioma.
Sci Rep
; 10(1): 6140, 2020 04 09.
Article
in English
| MEDLINE | ID: mdl-32273545
17.
Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn
; 6(2): 024701, 2019 Mar.
Article
in English
| MEDLINE | ID: mdl-30868089
18.
The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol
; 1: 226, 2018.
Article
in English
| MEDLINE | ID: mdl-30564747
19.
Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.
Struct Dyn
; 3(3): 034702, 2016 May.
Article
in English
| MEDLINE | ID: mdl-27191010
20.
Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases.
ACS Chem Biol
; 10(9): 2048-56, 2015 Sep 18.
Article
in English
| MEDLINE | ID: mdl-26023720