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Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate

Structural dynamics (Melville, N.Y.), 2019-03, Vol.6 (2), p.024701-024701

2019

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Differential kinase activity of ACVR1 G328V and R206H mutations with implications to possible TβRI cross-talk in diffuse intrinsic pontine glioma

Scientific reports, 2020-04, Vol.10 (1), p.6140, Article 6140

2020

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The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release

Communications biology, 2018-01, Vol.1 (1), p.226-226, Article 226

2018

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Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase

Journal of the American Chemical Society, 2016-08, Vol.138 (34), p.10905-10915

2016

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Structure and specificity of a permissive bacterial C-prenyltransferase

Nature chemical biology, 2017-04, Vol.13 (4), p.366-368

2017

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FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening

Journal of chemical information and modeling, 2021-04, Vol.61 (4), p.2074-2089

2021

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FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

Journal of chemical information and modeling, 2018-11, Vol.58 (11), p.2343-2354

2018

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Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases

ACS chemical biology, 2015-09, Vol.10 (9), p.2048-2056

2015

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The crystal structure and slow time-resolved oxidative decay of an E. coli DHFR complex with tetrahydrofolate with implications to drug design

Acta crystallographica. Section A, Foundations and advances, 2019-07, Vol.75 (a1), p.a2-a2

2019

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LucY: A Versatile New Fluorescent Reporter Protein

PloS one, 2015-04, Vol.10 (4), p.e0124272

2015

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Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase

The Journal of biological chemistry, 2010-09, Vol.285 (36), p.28044-28053

2010

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X‑ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin

Journal of natural products (Washington, D.C.), 2014-07, Vol.77 (7), p.1693-1699

2014

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Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase

The Journal of biological chemistry, 2009-03, Vol.284 (13), p.8760-8767

2009

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Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate

Structural dynamics (Melville, N.Y.), 2016-05, Vol.3 (3), p.034702-034702

2016

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Substrate Orientation and Specificity in Xanthine Oxidase: Crystal Structures of the Enzyme in Complex with Indole-3-acetaldehyde and Guanine

Biochemistry (Easton), 2014-01, Vol.53 (3), p.533-541

2014

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Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase: THE SEQUENTIAL HYDROXYLATION OF HYPOXANTHINE TO URIC ACID

The Journal of biological chemistry, 2010-09, Vol.285 (36), p.28044-28053

2010

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FINDSITE comb2.0 : A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

Journal of chemical information and modeling, 2018-11, Vol.58 (11), p.2343-2354

2018

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FINDSITE^sup comb2.0^: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

Journal of chemical information and modeling, 2018-11, Vol.58 (11), p.2343

2018

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Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE

The Journal of biological chemistry, 2009-03, Vol.284 (13), p.8760-8767

2009

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MEDICASCY: A Machine Learning Approach for Predicting Small-Molecule Drug Side Effects, Indications, Efficacy, and Modes of Action

Molecular pharmaceutics, 2020-05, Vol.17 (5), p.1558-1574

2020

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X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: μ-Sulfido,μ-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site

Journal of the American Chemical Society, 2011-08, Vol.133 (32), p.12414-12417

2011

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MEDICASCY: A Machine Learning Approach for Predicting Small Molecule Drug Side Effects, Indications, Efficacy and Mode of Action

Molecular pharmaceutics, 2020-04, Vol.17 (5), p.1558-1574

2020

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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 sustainable chemistry & engineering, 2020-01, Vol.8 (6)

2020

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Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum

The Journal of biological chemistry, 2014-09, Vol.289 (37), p.25624-25638

2014

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The reductive half-reaction of xanthine dehydrogenase from Rhodobacter capsulatus: the role of Glu232 in catalysis

The Journal of biological chemistry, 2014-11, Vol.289 (46), p.32121-32130

2014

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Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate

Differential kinase activity of ACVR1 G328V and R206H mutations with implications to possible TβRI cross-talk in diffuse intrinsic pontine glioma

The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release

Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase

Structure and specificity of a permissive bacterial C-prenyltransferase

FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening

FINDSITEcomb2.0: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

Structural Basis for the Stereochemical Control of Amine Installation in Nucleotide Sugar Aminotransferases

The crystal structure and slow time-resolved oxidative decay of an E. coli DHFR complex with tetrahydrofolate with implications to drug design

LucY: A Versatile New Fluorescent Reporter Protein

Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase

X‑ray Crystal Structure of a Xanthine Oxidase Complex with the Flavonoid Inhibitor Quercetin

Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase

Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate

Substrate Orientation and Specificity in Xanthine Oxidase: Crystal Structures of the Enzyme in Complex with Indole-3-acetaldehyde and Guanine

Substrate Orientation and Catalytic Specificity in the Action of Xanthine Oxidase: THE SEQUENTIAL HYDROXYLATION OF HYPOXANTHINE TO URIC ACID

FINDSITE comb2.0 : A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

FINDSITE^sup comb2.0^: A New Approach for Virtual Ligand Screening of Proteins and Virtual Target Screening of Biomolecules

Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE

MEDICASCY: A Machine Learning Approach for Predicting Small-Molecule Drug Side Effects, Indications, Efficacy, and Modes of Action

X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: μ-Sulfido,μ-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site

MEDICASCY: A Machine Learning Approach for Predicting Small Molecule Drug Side Effects, Indications, Efficacy and Mode of Action

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

Structure and Substrate Specificity of a Eukaryotic Fucosidase from Fusarium graminearum

The reductive half-reaction of xanthine dehydrogenase from Rhodobacter capsulatus: the role of Glu232 in catalysis

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