Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitors (Q34005610)

30 July 2017

title

Transient pockets on XIAP-BIR2: toward the characterization of putative binding sites of small-molecule XIAP inhibitors (English)

1 reference

30 July 2017

1 reference

30 July 2017

Susanne Eyrisch

1 reference

30 July 2017

Jose L Medina-Franco

series ordinal

1 reference

30 July 2017

language of work or name

1 reference

30 August 2011

1 reference

Journal of Molecular Modeling

30 July 2017

published in

1 reference

30 July 2017

1 reference

30 July 2017

1 reference

30 July 2017

page(s)

2031-2042

1 reference

Reaching for high-hanging fruit in drug discovery at protein-protein interfaces

30 July 2017

cites work

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

The c-IAP-1 and c-IAP-2 proteins are direct inhibitors of specific caspases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

IAPs block apoptotic events induced by caspase-8 and cytochrome c by direct inhibition of distinct caspases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

The Survivin saga goes in vivo

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Caspases: the executioners of apoptosis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

21 January 2018

Caspases: enemies within

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

A single BIR domain of XIAP sufficient for inhibiting caspases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Cleavage of human inhibitor of apoptosis protein XIAP results in fragments with distinct specificities for caspases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Smac, a mitochondrial protein that promotes cytochrome c-dependent caspase activation by eliminating IAP inhibition

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structural basis for the inhibition of caspase-3 by XIAP

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structural basis of caspase-7 inhibition by XIAP

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Mechanism of XIAP-mediated inhibition of caspase-9

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structural basis for binding of Smac/DIABLO to the XIAP BIR3 domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structural basis of IAP recognition by Smac/DIABLO

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-linked Inhibitor of Apoptosis Protein (XIAP) †

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Interaction of a Cyclic, Bivalent Smac Mimetic with the X-Linked Inhibitor of Apoptosis Protein † ‡

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Structural basis for bivalent Smac-mimetics recognition in the IAP protein family

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Small-molecule antagonists of apoptosis suppressor XIAP exhibit broad antitumor activity

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Cellular, biochemical, and genetic analysis of mechanism of small molecule IAP inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Inhibitors of XIAP sensitize CD40-activated chronic lymphocytic leukemia cells to CD95-mediated apoptosis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

XIAP inhibits caspase-3 and -7 using two binding sites: evolutionarily conserved mechanism of IAPs.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

NMR structure and mutagenesis of the inhibitor-of-apoptosis protein XIAP

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

What induces pocket openings on protein surface patches involved in protein-protein interactions?

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Polyamines: naturally occurring small molecule modulators of electrostatic protein-protein interactions

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Anatomy of hot spots in protein interfaces

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

A hot spot of binding energy in a hormone-receptor interface

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Hot spots--a review of the protein-protein interface determinant amino-acid residues

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Protein-protein interactions; coupling of structurally conserved residues and of hot spots across interfaces. Implications for docking

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Hot regions in protein--protein interactions: the organization and contribution of structurally conserved hot spot residues

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

A simple physical model for binding energy hot spots in protein-protein complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Predicting changes in the stability of proteins and protein complexes: a study of more than 1000 mutations

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Fast prediction and visualization of protein binding pockets with PASS.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Minimization by Random Search Techniques

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

A semiempirical free energy force field with charge-based desolvation

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Protein-protein recognition as a first step towards the inhibition of XIAP and Survivin anti-apoptotic proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

GROMACS 3.0: a package for molecular simulation and trajectory analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

BIOCHEMISTRY: How Do Proteins Interact?

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Transient Pockets on Protein Surfaces Involved in Protein−Protein Interaction

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS00894-011-1217-Y

Expression and prognostic significance of IAP-family genes in human cancers and myeloid leukemias

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21877153

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21877153

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Python: a programming language for software integration and development

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21877153

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S00894-011-1217-Y

1 reference

30 July 2017

1 reference