Equipment

- NMR spectrometer of 700 MHz including:

4 probes (HR-MAS, dual fluorine/proton,
and triple and quadruple resonance)
Sample changer (BACS120)

- Surface Plasmon Resonance (Biacore X-100)

- Multiple-angle static light scattering
- Nanodrop & double beam spectrophotometers
- Fluorimeter
- Isothermal titration and differential scanning
calorimeters
- Circular dichrograph
- Analytical ultracentrifuge
- Dynamic light scattering

People

-Blanca López-Mendez, Ph.D. (Technician)

-Ramón Campos-Olivas, Ph.D. (Unit Leader)
Internal & External Collaborators

Metabolite quantification in biofluids, cell media, cell and tissue extracts

- CCBP: Nabil Djouder

- CRP: Christopher Heeschen, Manuel Hidalgo, Miguel Quintela
- ETP: Susana Velasco
- MOP: Marcos Malumbres, Manuel Serrano
- MPP: Francisco Real
- CNIC: Jesús Ruiz-Cabello

Fragment-Based Ligand Discovery by NMR and SPR

- SBBP: Daniel Lietha, Francesco Gervasio

- ETP: Joaquin Pastor
- BIPEDD2 consortia & CSIC: Federico Gago, Carlos Gonzalez

Structure and Biophysics of Proteins and of Protein Interactions

-SBBP: Guillermo Montoya, Santiago Ramón, Daniel Lietha,

Francesco Gervasio
Metabonomics: Quantification of the oncometabolite 2OHG and altered TCA
components in IDH2-mutant cells and modulation by Sirtuins (M Serrano)

2OHG production by mutant

IDH2 diverts aKG and
reduces Glutamate and
Fumarate levels

Fernandez PJ, Campos-Olivas, R & Serrano, M. Work in progress.

Ligand Discovery: Identification and Characterization of Fragments binding
the Protein Kinases FAK and Src (F Gervasio & D Lietha)

Primary screening by 19F NMR & SPR Validation by ligand-detected NMR

T2=200 ms
+protein

T2=200 ms
-protein

T2=0 ms
+protein

T2=0 ms
-protein Binding site & 3D structure by protein
19F
1H-15N NMR & X-Ray crystallography
(d,ppm)

Campos-Olivas R (2011). NMR Screening and Hit Validation in Fragment Based Drug Discovery.
Curr Top Med Chem
Biophysics and Structure of Protein Interactions: Structure and Dynamics
of Src KD in free and inhibitor-bound forms and affinity and kinetics of Src-
ligand interactions (F Gervasio)
Assigned 1H-15N NMR spectrum of Thermodynamics & Kinetics of
Src free and in complex with inhibitor Inhibitor binding by ITC & SPR

Campos-Olivas R, Marenchino M, Scapozza L, Gervasio FL (2011). Backbone assignment of the tyrosine

kinase Src catalytic domain in complex with imatinib. Biomol NMR Assign 5, 221-224.