Cholesterol binding to the sterol-sensing region of Niemann Pick C1 protein confines dynamics of its N-terminal domain

High‐content imaging and structure‐based predictions reveal functional differences between Niemann‐Pick C1 variants

(2020) Lauri Vanharanta et al.   TRAFFIC

Structural basis for itraconazole-mediated NPC1 inhibition

(2020) Tao Long et al.   Nature Communications

Cholesterol Transport in Wild-Type NPC1 and P691S: Molecular Dynamics Simulations Reveal Changes in Dynamical Behavior

(2020) Nadia Elghobashi-Meinhardt   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

NPC intracellular cholesterol transporter 1 (NPC1)-mediated cholesterol export from lysosomes

(2019) Suzanne R. Pfeffer   JOURNAL OF BIOLOGICAL CHEMISTRY

Structural Insight into Eukaryotic Sterol Transport through Niemann-Pick Type C Proteins

(2019) Mikael B.L. Winkler et al.   CELL

Structural basis for the recognition of Sonic Hedgehog by human Patched1

(2018) Xin Gong et al.   SCIENCE

Lysosomal cholesterol export reconstituted from fragments of Niemann-Pick C1

(2018) Michael Nguyen Trinh et al.   eLife

doGlycans–Tools for Preparing Carbohydrate Structures for Atomistic Simulations of Glycoproteins, Glycolipids, and Carbohydrate Polymers for GROMACS

(2017) Reinis Danne et al.   Journal of Chemical Information and Modeling

3.3 Å structure of Niemann–Pick C1 protein reveals insights into the function of the C-terminal luminal domain in cholesterol transport

(2017) Xiaochun Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Allosteric modulation of cardiac myosin dynamics by omecamtiv mecarbil

(2017) Shaima Hashem et al.   PLoS Computational Biology

Continuous transport of a small fraction of plasma membrane cholesterol to endoplasmic reticulum regulates total cellular cholesterol

(2017) Rodney Elwood Infante et al.   eLife

Structural Insights into the Niemann-Pick C1 (NPC1)-Mediated Cholesterol Transfer and Ebola Infection

(2016) Xin Gong et al.   CELL

Clues to NPC1-mediated cholesterol export from lysosomes

(2016) Suzanne R. Pfeffer   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Clues to the mechanism of cholesterol transfer from the structure of NPC1 middle lumenal domain bound to NPC2

(2016) Xiaochun Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Lysosomal membrane glycoproteins bind cholesterol and contribute to lysosomal cholesterol export

(2016) Jian Li et al.   eLife

Rapid Diagnosis of 83 Patients with Niemann Pick Type C Disease and Related Cholesterol Transport Disorders by Cholestantriol Screening

(2016) Janine Reunert et al.   EBioMedicine

A Century of Cholesterol and Coronaries: From Plaques to Genes to Statins

(2015) Joseph L. Goldstein et al.   CELL

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

Glycosylation inhibition reduces cholesterol accumulation in NPC1 protein-deficient cells

(2015) Jian Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein conformational plasticity and complex ligand-binding kinetics explored by atomistic simulations and Markov models

(2015) Nuria Plattner et al.   Nature Communications

Identification of NPC1 as the target of U18666A, an inhibitor of lysosomal cholesterol export and Ebola infection

(2015) Feiran Lu et al.   eLife

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The ensemble nature of allostery

(2014) Hesam N. Motlagh et al.   NATURE

GSATools: analysis of allosteric communication and functional local motions using a structural alphabet

(2013) Alessandro Pandini et al.   BIOINFORMATICS

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

MOLE 2.0: advanced approach for analysis of biomacromolecular channels

(2013) David Sehnal et al.   Journal of Cheminformatics

Specific Conformational States of Ras GTPase upon Effector Binding

(2012) Julie Baussand et al.   Journal of Chemical Theory and Computation

ABCA1-dependent mobilization of lysosomal cholesterol requires functional Niemann–Pick C2 but not Niemann–Pick C1 protein

(2011) Emmanuel Boadu et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS

Detection of allosteric signal transmission by information-theoretic analysis of protein dynamics

(2011) Alessandro Pandini et al.   FASEB JOURNAL

A role for oxysterol-binding protein–related protein 5 in endosomal cholesterol trafficking

(2011) Ximing Du et al.   JOURNAL OF CELL BIOLOGY

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Regulation of the NPC2 protein-mediated cholesterol trafficking by membrane lipids

(2011) Hichem D. Gallala et al.   JOURNAL OF NEUROCHEMISTRY

Ebola virus entry requires the cholesterol transporter Niemann–Pick C1

(2011) Jan E. Carette et al.   NATURE

Niemann-Pick type C 1 function requires lumenal domain residues that mediate cholesterol-dependent NPC2 binding

(2011) M. S. Deffieu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structural alphabets derived from attractors in conformational space

(2010) Alessandro Pandini et al.   BMC BIOINFORMATICS

Identification of Surface Residues on Niemann-Pick C2 Essential for Hydrophobic Handoff of Cholesterol to NPC1 in Lysosomes

(2010) Michael L. Wang et al.   Cell Metabolism

The LDL Receptor

(2009) Joseph L. Goldstein et al.   ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY

Niemann–Pick C2 (NPC2) and intracellular cholesterol trafficking

(2009) Judith Storch et al.   BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR AND CELL BIOLOGY OF LIPIDS

Structure of N-Terminal Domain of NPC1 Reveals Distinct Subdomains for Binding and Transfer of Cholesterol

(2009) Hyock Joo Kwon et al.   CELL

The National Niemann-Pick Type C1 Disease Database: correlation of lipid profiles, mutations, and biochemical phenotypes

(2009) William S. Garver et al.   JOURNAL OF LIPID RESEARCH

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

CHARMM-GUI: A web-based graphical user interface for CHARMM

(2008) Sunhwan Jo et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

NPC2 facilitates bidirectional transfer of cholesterol between NPC1 and lipid bilayers, a step in cholesterol egress from lysosomes

(2008) R. E. Infante et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

NPC1/NPC2 function as a tag team duo to mobilize cholesterol

(2008) K. Subramanian et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Transport of LDL-derived cholesterol from the NPC1 compartment to the ER involves the trans-Golgi network and the SNARE protein complex

(2008) Y. Urano et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Allostery and cooperativity revisited

(2008) Qiang Cui et al.   PROTEIN SCIENCE