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Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

Nature communications, 2022-10, Vol.13 (1), p.6447-6447, Article 6447

2022

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Quantitative Determination of Protein–Ligand Affinity by Size Exclusion Chromatography Directly Coupled to High-Resolution Native Mass Spectrometry

Analytical chemistry (Washington), 2019-01, Vol.91 (1), p.903-911

2019

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Structural Analysis of E. coli hsp90 Reveals Dramatic Nucleotide-Dependent Conformational Rearrangements

Cell, 2006-10, Vol.127 (2), p.329-340

2006

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Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration

The Journal of biological chemistry, 2015-09, Vol.290 (36), p.21773-21786

2015

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Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46

Structure (London), 2015-11, Vol.23 (11), p.2043-2054

2015

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VH-VL orientation prediction for antibody humanization candidate selection: A case study

mAbs, 2016-01, Vol.8 (2), p.288-305

2016

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Discovery of Selective 4‑Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization

Journal of medicinal chemistry, 2014-04, Vol.57 (8), p.3484-3493

2014

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Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors

ACS medicinal chemistry letters, 2020-04, Vol.11 (4), p.541-549

2020

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The Crystal Structure of the Carboxy-Terminal Dimerization Domain of htpG, the Escherichia coli Hsp90, Reveals a Potential Substrate Binding Site

Structure (London), 2004-06, Vol.12 (6), p.1087-1097

2004

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Slow Binding Inhibition and Mechanism of Resistance of Non-nucleoside Polymerase Inhibitors of Hepatitis C Virus

The Journal of biological chemistry, 2009-06, Vol.284 (23), p.15517-15529

2009

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Selection and Characterization of Replicon Variants Dually Resistant to Thumb- and Palm-Binding Nonnucleoside Polymerase Inhibitors of the Hepatitis C Virus

Journal of Virology, 2006-06, Vol.80 (12), p.6146-6154

2006

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Antibody interfaces revealed through structural mining

Computational and structural biotechnology journal, 2022-01, Vol.20 (C), p.4952-4968

2022

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Identification of Noncompetitive Protein–Ligand Interactions for Structural Optimization

Journal of chemical information and modeling, 2020-12, Vol.60 (12), p.6595-6611

2020

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MAP4K4 regulates integrin-FERM binding to control endothelial cell motility

Nature (London), 2015-03, Vol.519 (7544), p.425-430

2015

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N4BP1 coordinates ubiquitin-dependent crosstalk within the IκB kinase family to limit Toll-like receptor signaling and inflammation

Immunity (Cambridge, Mass.), 2024-05, Vol.57 (5), p.973-986.e7

2024

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Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth

Cell chemical biology, 2024-06, Vol.31 (6), p.1176-1187.e10

2024

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Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability

Journal of medicinal chemistry, 2019-08, Vol.62 (15), p.7032-7041

2019

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Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer’s Disease

Journal of medicinal chemistry, 2017-10, Vol.60 (19), p.8083-8102

2017

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Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N‑(1H‑Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12)

Journal of medicinal chemistry, 2015-10, Vol.58 (20), p.8182-8199

2015

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Cyclic amide bioisosterism: Strategic application to the design and synthesis of HCV NS5B polymerase inhibitors

Bioorganic & medicinal chemistry letters, 2010-08, Vol.20 (15), p.4614-4619

2010

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Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies

Journal of molecular biology, 2018-07, Vol.430 (14), p.2139-2152

2018

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Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members

mAbs, 2019-08, Vol.11 (6), p.996-1011

2019

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Chemical space docking enables large-scale structure-based virtual screening to discover ROCK1 kinase inhibitors

Quantitative Determination of Protein–Ligand Affinity by Size Exclusion Chromatography Directly Coupled to High-Resolution Native Mass Spectrometry

Structural Analysis of E. coli hsp90 Reveals Dramatic Nucleotide-Dependent Conformational Rearrangements

Deep Sequencing-guided Design of a High Affinity Dual Specificity Antibody to Target Two Angiogenic Factors in Neovascular Age-related Macular Degeneration

Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46

VH-VL orientation prediction for antibody humanization candidate selection: A case study

Discovery of Selective 4‑Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization

Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors

The Crystal Structure of the Carboxy-Terminal Dimerization Domain of htpG, the Escherichia coli Hsp90, Reveals a Potential Substrate Binding Site

Slow Binding Inhibition and Mechanism of Resistance of Non-nucleoside Polymerase Inhibitors of Hepatitis C Virus

Selection and Characterization of Replicon Variants Dually Resistant to Thumb- and Palm-Binding Nonnucleoside Polymerase Inhibitors of the Hepatitis C Virus

Antibody interfaces revealed through structural mining

Identification of Noncompetitive Protein–Ligand Interactions for Structural Optimization

MAP4K4 regulates integrin-FERM binding to control endothelial cell motility

N4BP1 coordinates ubiquitin-dependent crosstalk within the IκB kinase family to limit Toll-like receptor signaling and inflammation

Potent and selective binders of the E3 ubiquitin ligase ZNRF3 stimulate Wnt signaling and intestinal organoid growth

Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability

Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer’s Disease

Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N‑(1H‑Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12)

Cyclic amide bioisosterism: Strategic application to the design and synthesis of HCV NS5B polymerase inhibitors

Discovery of Highly Potent, Selective, and Brain-Penetrant Aminopyrazole Leucine-Rich Repeat Kinase 2 (LRRK2) Small Molecule Inhibitors

Structure-Guided Combinatorial Engineering Facilitates Affinity and Specificity Optimization of Anti-CD81 Antibodies

Discovery of GuaB inhibitors with efficacy against Acinetobacter baumannii infection

Discovery of Highly Potent, Selective, and Brain-Penetrable Leucine-Rich Repeat Kinase 2 (LRRK2) Small Molecule Inhibitors

Tetravalent biepitopic targeting enables intrinsic antibody agonism of tumor necrosis factor receptor superfamily members

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