Genomes, structural biology and drug discovery: combating the impacts of mutations in genetic disease and antibiotic resistance

Arun Prasad Pandurangan, David B. Ascher, Sherine E. Thomas and Tom L. Blundell

Biochemical Society Transactions, 2017, 45, 303
DOI: 10.1042/BST20160422

State of the structure address on MET receptor activation by HGF

Edmond M. Linossi, Gabriella O. Estevam, Masaya Oshima, James S. Fraser, Eric A. Collisson and Natalia Jura

Biochemical Society Transactions, 2021, 49, 645
DOI: 10.1042/BST20200394

MOPS and coxsackievirus B3 stability

Steven D. Carson, Susan Hafenstein and Hyunwook Lee

Virology, 2017, 501, 183
DOI: 10.1016/j.virol.2016.12.002

Computer-Aided Identification and Lead Optimization of Dual Murine Double Minute 2 and 4 Binders: Structure–Activity Relationship Studies and Pharmacological Activity

Mariateresa Giustiniano, Simona Daniele, Sveva Pelliccia, Valeria La Pietra, Deborah Pietrobono, Diego Brancaccio, Sandro Cosconati, Anna Messere, Stefano Giuntini, Linda Cerofolini, Marco Fragai, Claudio Luchinat, Sabrina Taliani, Giuseppe La Regina, Federico Da Settimo, Romano Silvestri, Claudia Martini, Ettore Novellino and Luciana Marinelli

J. Med. Chem., 2017, 60, 8115
DOI: 10.1021/acs.jmedchem.7b00912

CSM-lig: a web server for assessing and comparing protein–small molecule affinities

Douglas E.V. Pires and David B. Ascher

Nucleic Acids Res, 2016, 44, W557
DOI: 10.1093/nar/gkw390

The constitutive high-affinity Met-binding site in the kringle domain is dispensable for the signalling activity of hepatocyte growth factor

Masataka Umitsu, Katsuya Sakai, Keiko Tamura-Kawakami, Kunio Matsumoto and Junichi Takagi

The Journal of Biochemistry, 2020, 167, 577
DOI: 10.1093/jb/mvaa006

Mutations at protein-protein interfaces: Small changes over big surfaces have large impacts on human health

Harry C. Jubb, Arun P. Pandurangan, Meghan A. Turner, Bernardo Ochoa-Montaño, Tom L. Blundell and David B. Ascher

Progress in Biophysics and Molecular Biology, 2017, 128, 3
DOI: 10.1016/j.pbiomolbio.2016.10.002

Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design

Amanda T.S. Albanaz, Carlos H.M. Rodrigues, Douglas E.V. Pires and David B. Ascher

Expert Opinion on Drug Discovery, 2017, 12, 553
DOI: 10.1080/17460441.2017.1322579

High resolution structure of human apolipoprotein (a) kringle IV type 2: beyond the lysine binding site

Alice Santonastaso, Maristella Maggi, Hugo De Jonge and Claudia Scotti

Journal of Lipid Research, 2020, 61, 1687
DOI: 10.1194/jlr.RA120001023

Developing Antagonists for the Met-HGF/SF Protein–Protein Interaction Using a Fragment-Based Approach

Anja Winter, Anna G. Sigurdardottir, Danielle DiCara, Giovanni Valenti, Tom L. Blundell and Ermanno Gherardi

Molecular Cancer Therapeutics, 2016, 15, 3
DOI: 10.1158/1535-7163.MCT-15-0446

Structural basis of HGF-Met signaling

Masataka UMITSU and Junichi TAKAGI

Nihon Kessen Shiketsu Gakkaishi, 2016, 27, 77
DOI: 10.2491/jjsth.27.77

Crystal structure of the kringle domain of human receptor tyrosine kinase-like orphan receptor 1 (hROR1)

Salvatore R. Guarino, Antonella Di Bello, Martina Palamini, Maria Chiara Capillo and Federico Forneris

Acta Crystallogr F Struct Biol Commun, 2022, 78, 185
DOI: 10.1107/S2053230X22003855

Interfering with HuR–RNA Interaction: Design, Synthesis and Biological Characterization of Tanshinone Mimics as Novel, Effective HuR Inhibitors

Leonardo Manzoni, Chiara Zucal, Danilo Di Maio, Vito G. D’Agostino, Natthakan Thongon, Isabelle Bonomo, Preet Lal, Marco Miceli, Vanessa Baj, Marta Brambilla, Linda Cerofolini, Saioa Elezgarai, Emiliano Biasini, Claudio Luchinat, Ettore Novellino, Marco Fragai, Luciana Marinelli, Alessandro Provenzani and Pierfausto Seneci

J. Med. Chem., 2018, 61, 1483
DOI: 10.1021/acs.jmedchem.7b01176

Synthesis and Structure–Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH

Vinayak Singh, Angela Pacitto, Stefano Donini, Davide M. Ferraris, Sándor Boros, Eszter Illyés, Bálint Szokol, Menico Rizzi, Tom L. Blundell, David B. Ascher, Janos Pato and Valerie Mizrahi

European Journal of Medicinal Chemistry, 2019, 174, 309
DOI: 10.1016/j.ejmech.2019.04.027

mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance

Douglas E. V. Pires, Tom L. Blundell and David B. Ascher

Sci Rep, 2016, 6
DOI: 10.1038/srep29575

Simultaneous Targeting of RGD-Integrins and Dual Murine Double Minute Proteins in Glioblastoma Multiforme

Francesco Merlino, Simona Daniele, Valeria La Pietra, Salvatore Di Maro, Francesco Saverio Di Leva, Diego Brancaccio, Stefano Tomassi, Stefano Giuntini, Linda Cerofolini, Marco Fragai, Claudio Luchinat, Florian Reichart, Chiara Cavallini, Barbara Costa, Rebecca Piccarducci, Sabrina Taliani, Federico Da Settimo, Claudia Martini, Horst Kessler, Ettore Novellino and Luciana Marinelli

J. Med. Chem., 2018, 61, 4791
DOI: 10.1021/acs.jmedchem.8b00004

Computer‐Assisted Identification of Inhibitor with Novel Pharmacophore Targeting First Kringle Domain of Hepatocyte Growth Factor

Junichi Taira, Miho Yamaguchi, Anju Tashiro, Asuka Kida, Ko Suzuki, Katsuya Sakai, Kunio Matsumoto and Shunsuke Aoki

ChemistrySelect, 2023, 8
DOI: 10.1002/slct.202301577

Sticking Together an Updated Model for Temporary Adhesion

Philip Bertemes, Alexandra L. Grosbusch, Anik Geschwindt, Bob Kauffmann, Willi Salvenmoser, Birte Mertens, Robert Pjeta, Bernhard Egger and Peter Ladurner

Marine Drugs, 2022, 20, 359
DOI: 10.3390/md20060359

Structural, biochemical and biophysical characterization of recombinant human fumarate hydratase

Mariana A. Ajalla Aleixo, Victor L. Rangel, Joane K. Rustiguel, Ricardo A. P. de Pádua and Maria Cristina Nonato

The FEBS Journal, 2019, 286, 1925
DOI: 10.1111/febs.14782