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Constrained catecholamines gain β2AR selectivity through allosteric effects on pocket dynamics.
Published in:
Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-37808-y
By:
- Xu, Xinyu;
- Shonberg, Jeremy;
- Kaindl, Jonas;
- Clark, Mary J.;
- Stößel, Anne;
- Maul, Luis;
- Mayer, Daniel;
- Hübner, Harald;
- Hirata, Kunio;
- Venkatakrishnan, A. J.;
- Dror, Ron O.;
- Kobilka, Brian K.;
- Sunahara, Roger K.;
- Liu, Xiangyu;
- Gmeiner, Peter
Publication type:
Article
Molecular mechanism of biased signaling at the kappa opioid receptor.
Published in:
Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-37041-7
By:
- El Daibani, Amal;
- Paggi, Joseph M.;
- Kim, Kuglae;
- Laloudakis, Yianni D.;
- Popov, Petr;
- Bernhard, Sarah M.;
- Krumm, Brian E.;
- Olsen, Reid H. J.;
- Diberto, Jeffrey;
- Carroll, F. Ivy;
- Katritch, Vsevolod;
- Wünsch, Bernhard;
- Dror, Ron O.;
- Che, Tao
Publication type:
Article
Simple biochemical features underlie transcriptional activation domain diversity and dynamic, fuzzy binding to Mediator.
Published in:
eLife, 2021, p. 1, doi. 10.7554/eLife.68068
By:
- Sanborn, Adrian L.;
- Yeh, Benjamin T.;
- Feigerle, Jordan T.;
- Hao, Cynthia V.;
- Townshend, Raphael J. L.;
- Aiden, Erez Lieberman;
- Dror, Ron O.;
- Kornberg, Roger D.
Publication type:
Article
Structural and functional characterization of G protein-coupled receptors with deep mutational scanning.
Published in:
eLife, 2020, p. 1, doi. 10.7554/eLife.54895
By:
- Jones, Eric M.;
- Lubock, Nathan B.;
- Venkatakrishnan, A. J.;
- Wang, Jeffrey;
- Tseng, Alex M.;
- Paggi, Joseph M.;
- Latorraca, Naomi R.;
- Cancilla, Daniel;
- Satyadi, Megan;
- Davis, Jessica E.;
- Babu, M. Madan;
- Dror, Ron O.;
- Kosuri, Sriram
Publication type:
Article
Xanomeline displays concomitant orthosteric and allosteric binding modes at the M4 mAChR.
Published in:
Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-41199-5
By:
- Burger, Wessel A. C.;
- Pham, Vi;
- Vuckovic, Ziva;
- Powers, Alexander S.;
- Mobbs, Jesse I.;
- Laloudakis, Yianni;
- Glukhova, Alisa;
- Wootten, Denise;
- Tobin, Andrew B.;
- Sexton, Patrick M.;
- Paul, Steven M.;
- Felder, Christian C.;
- Danev, Radostin;
- Dror, Ron O.;
- Christopoulos, Arthur;
- Valant, Celine;
- Thal, David M.
Publication type:
Article
Author Correction: Constrained catecholamines gain β2AR selectivity through allosteric effects on pocket dynamics.
Published in:
2023
By:
- Xu, Xinyu;
- Shonberg, Jeremy;
- Kaindl, Jonas;
- Clark, Mary J.;
- Stößel, Anne;
- Maul, Luis;
- Mayer, Daniel;
- Hübner, Harald;
- Hirata, Kunio;
- Venkatakrishnan, A. J.;
- Dror, Ron O.;
- Kobilka, Brian K.;
- Sunahara, Roger K.;
- Liu, Xiangyu;
- Gmeiner, Peter
Publication type:
Correction Notice
Structural basis for activation of CB1 by an endocannabinoid analog.
Published in:
Nature Communications, 2023, v. 14, n. 1, p. 1, doi. 10.1038/s41467-023-37864-4
By:
- Krishna Kumar, Kaavya;
- Robertson, Michael J.;
- Thadhani, Elina;
- Wang, Haoqing;
- Suomivuori, Carl-Mikael;
- Powers, Alexander S.;
- Ji, Lipin;
- Nikas, Spyros P.;
- Dror, Ron O.;
- Inoue, Asuka;
- Makriyannis, Alexandros;
- Skiniotis, Georgios;
- Kobilka, Brian
Publication type:
Article
Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations.
Published in:
PLoS ONE, 2012, v. 7, n. 6, p. 1, doi. 10.1371/journal.pone.0039918
By:
- Piana, Stefano;
- Lindorff-Larsen, Kresten;
- Dirks, Robert M.;
- Salmon, John K.;
- Dror, Ron O.;
- Shaw, David E.
Publication type:
Article
Systematic Validation of Protein Force Fields against Experimental Data.
Published in:
PLoS ONE, 2012, v. 7, n. 2, p. 1, doi. 10.1371/journal.pone.0032131
By:
- Lindorff-Larsen, Kresten;
- Maragakis, Paul;
- Piana, Stefano;
- Eastwood, Michael P.;
- Dror, Ron O.;
- Shaw, David E.
Publication type:
Article
Refinement of protein structure homology models via long, all-atom molecular dynamics simulations.
Published in:
Proteins, 2012, v. 80, n. 8, p. 2071, doi. 10.1002/prot.24098
By:
- Raval, Alpan;
- Piana, Stefano;
- Eastwood, Michael P.;
- Dror, Ron O.;
- Shaw, David E.
Publication type:
Article
Improved side-chain torsion potentials for the Amber ff99SB protein force field.
Published in:
Proteins, 2010, v. 78, n. 8, p. 1950, doi. 10.1002/prot.22711
By:
- Lindorff-Larsen, Kresten;
- Piana, Stefano;
- Palmo, Kim;
- Maragakis, Paul;
- Klepeis, John L.;
- Dror, Ron O.;
- Shaw, David E.
Publication type:
Article
Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs.
Published in:
Nature Communications, 2019, v. 10, n. 1, p. N.PAG, doi. 10.1038/s41467-019-11062-7
By:
- Hollingsworth, Scott A.;
- Kelly, Brendan;
- Valant, Celine;
- Michaelis, Jordan Arthur;
- Mastromihalis, Olivia;
- Thompson, Geoff;
- Venkatakrishnan, A. J.;
- Hertig, Samuel;
- Scammells, Peter J.;
- Sexton, Patrick M.;
- Felder, Christian C.;
- Christopoulos, Arthur;
- Dror, Ron O.
Publication type:
Article
Structure and function of an irreversible agonist-β2 adrenoceptor complex.
Published in:
Nature, 2011, v. 469, n. 7329, p. 236, doi. 10.1038/nature09665
By:
- Rosenbaum, Daniel M.;
- Zhang, Cheng;
- Lyons, Joseph A.;
- Holl, Ralph;
- Aragao, David;
- Arlow, Daniel H.;
- Rasmussen, Søren G. F.;
- Hee-Jung Choi;
- DeVree, Brian T.;
- Sunahara, Roger K.;
- Pil Seok Chae;
- Gellman, Samuel H.;
- Dror, Ron O.;
- Shaw, David E.;
- Weis, William I.;
- Caffrey, Martin;
- Gmeiner, Peter;
- Kobilka, Brian K.
Publication type:
Article
CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Published in:
eLife, 2024, p. 1, doi. 10.7554/eLife.90648
By:
- Mengyuan Xu;
- Neelands, Torben;
- Powers, Alexander S.;
- Yan Liu;
- Miller, Steven D.;
- Pintilie, Grigore D.;
- Bois, J. Du;
- Dror, Ron O.;
- Wah Chiu;
- Maduke, Merritt
Publication type:
Article
How accurately can one predict drug binding modes using AlphaFold models?
Published in:
eLife, 2023, p. 1, doi. 10.7554/eLife.89386
By:
- Karelina, Masha;
- Noh, Joseph J.;
- Dror, Ron O.
Publication type:
Article
Structure Insights into Biased Signaling of kappa Opioid Receptor.
Published in:
FASEB Journal, 2022, v. 36, p. N.PAG, doi. 10.1096/fasebj.2022.36.S1.L8027
By:
- El Daibani, Amal;
- Paggi, Joe;
- Kim, Kuglae;
- Laloudakis, Yianni;
- Popov, Petr;
- Bernhard, Sarah;
- Olsen, Reid H;
- Diberto, Jeffrey;
- Katritch, Vsevolod;
- Wunsch, Bernhard;
- Dror, Ron;
- Che, Tao
Publication type:
Article
Simple biochemical features underlie transcriptional activation domain diversity and dynamic, fuzzy binding to Mediator.
Published in:
FASEB Journal, 2021, v. 35, p. N.PAG, doi. 10.1096/fasebj.2021.35.S1.03331
By:
- Sanborn, Adrian;
- Yeh, Benjamin;
- Feigerle, Jordan;
- Hao, Cynthia;
- Townshend, Raphael;
- Aiden, Erez;
- Dror, Ron;
- Kornberg, Roger
Publication type:
Article
Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations.
Published in:
PLoS Computational Biology, 2016, v. 12, n. 6, p. 1, doi. 10.1371/journal.pcbi.1004746
By:
- Hertig, Samuel;
- Latorraca, Naomi R.;
- Dror, Ron O.
Publication type:
Article
Structural insights into µ-opioid receptor activation.
Published in:
Nature, 2015, v. 524, n. 7565, p. 315, doi. 10.1038/nature14886
By:
- Huang, Weijiao;
- Manglik, Aashish;
- Venkatakrishnan, A. J.;
- Laeremans, Toon;
- Feinberg, Evan N.;
- Sanborn, Adrian L.;
- Kato, Hideaki E.;
- Livingston, Kathryn E.;
- Thorsen, Thor S.;
- Kling, Ralf C.;
- Granier, Sébastien;
- Gmeiner, Peter;
- Husbands, Stephen M.;
- Traynor, John R.;
- Weis, William I.;
- Steyaert, Jan;
- Dror, Ron O.;
- Kobilka, Brian K.
Publication type:
Article
Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs.
Published in:
Nature, 2013, v. 503, n. 7475, p. 295, doi. 10.1038/nature12595
By:
- Dror, Ron O.;
- Green, Hillary F.;
- Valant, Celine;
- Borhani, David W.;
- Valcourt, James R.;
- Pan, Albert C.;
- Arlow, Daniel H.;
- Canals, Meritxell;
- Lane, J. Robert;
- Rahmani, Raphaël;
- Baell, Jonathan B.;
- Sexton, Patrick M.;
- Christopoulos, Arthur;
- Shaw, David E.
Publication type:
Article
High-resolution crystal structure of human protease-activated receptor 1.
Published in:
Nature, 2012, v. 492, n. 7429, p. 387, doi. 10.1038/nature11701
By:
- Zhang, Cheng;
- Srinivasan, Yoga;
- Arlow, Daniel H.;
- Fung, Juan Jose;
- Palmer, Daniel;
- Zheng, Yaowu;
- Green, Hillary F.;
- Pandey, Anjali;
- Dror, Ron O.;
- Shaw, David E.;
- Weis, William I.;
- Coughlin, Shaun R.;
- Kobilka, Brian K.
Publication type:
Article
Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Published in:
Nature, 2012, v. 482, n. 7386, p. 552, doi. 10.1038/nature10867
By:
- Kruse, Andrew C.;
- Hu, Jianxin;
- Pan, Albert C.;
- Arlow, Daniel H.;
- Rosenbaum, Daniel M.;
- Rosemond, Erica;
- Green, Hillary F.;
- Liu, Tong;
- Chae, Pil Seok;
- Dror, Ron O.;
- Shaw, David E.;
- Weis, William I.;
- Wess, Jürgen;
- Kobilka, Brian K.
Publication type:
Article
Protein model quality assessment using rotation‐equivariant transformations on point clouds.
Published in:
Proteins, 2023, v. 91, n. 8, p. 1089, doi. 10.1002/prot.26494
By:
- Eismann, Stephan;
- Suriana, Patricia;
- Jing, Bowen;
- Townshend, Raphael J. L.;
- Dror, Ron O.
Publication type:
Article
Hierarchical, rotation‐equivariant neural networks to select structural models of protein complexes.
Published in:
Proteins, 2021, v. 89, n. 5, p. 493, doi. 10.1002/prot.26033
By:
- Eismann, Stephan;
- Townshend, Raphael J.L.;
- Thomas, Nathaniel;
- Jagota, Milind;
- Jing, Bowen;
- Dror, Ron O.
Publication type:
Article

Found: 24

Constrained catecholamines gain β<sub>2</sub>AR selectivity through allosteric effects on pocket dynamics.

Molecular mechanism of biased signaling at the kappa opioid receptor.

Simple biochemical features underlie transcriptional activation domain diversity and dynamic, fuzzy binding to Mediator.

Structural and functional characterization of G protein-coupled receptors with deep mutational scanning.

Xanomeline displays concomitant orthosteric and allosteric binding modes at the M<sub>4</sub> mAChR.

Author Correction: Constrained catecholamines gain β<sub>2</sub>AR selectivity through allosteric effects on pocket dynamics.

Structural basis for activation of CB1 by an endocannabinoid analog.

Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations.

Systematic Validation of Protein Force Fields against Experimental Data.

Refinement of protein structure homology models via long, all-atom molecular dynamics simulations.

Improved side-chain torsion potentials for the Amber ff99SB protein force field.

Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs.

Structure and function of an irreversible agonist-β<sub>2</sub> adrenoceptor complex.

CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.

How accurately can one predict drug binding modes using AlphaFold models?

Structure Insights into Biased Signaling of kappa Opioid Receptor.

Simple biochemical features underlie transcriptional activation domain diversity and dynamic, fuzzy binding to Mediator.

Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations.

Structural insights into µ-opioid receptor activation.

Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs.

High-resolution crystal structure of human protease-activated receptor 1.

Structure and dynamics of the M3 muscarinic acetylcholine receptor.

Protein model quality assessment using rotation‐equivariant transformations on point clouds.

Hierarchical, rotation‐equivariant neural networks to select structural models of protein complexes.