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6W4S
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BU of 6w4s by Molmil
Structure of apo human ferroportin in lipid nanodisc
Descriptor: Fab45D8 Heavy Chain, Fab45D8 Light Chain, Solute carrier family 40 member 1
Authors:Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A.
Deposit date:2020-03-11
Release date:2020-09-09
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms.
Nature, 586, 2020
5C1M
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BU of 5c1m by Molmil
Crystal structure of active mu-opioid receptor bound to the agonist BU72
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R,3S,3aR,5aR,6R,11bR,11cS)-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,6,7,11c-hexahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-10-ol, CHOLESTEROL, ...
Authors:Huang, W.J, Manglik, A, Venkatakrishnan, A.J, Laeremans, T, Feinberg, E.N, Sanborn, A.L, Kato, H.E, Livingston, K.E, Thorsen, T.S, Kling, R, Granier, S, Gmeiner, P, Husbands, S.M, Traynor, J.R, Weis, W.I, Steyaert, J, Dror, R.O, Kobilka, B.K.
Deposit date:2015-06-15
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural insights into mu-opioid receptor activation.
Nature, 524, 2015
4DAJ
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BU of 4daj by Molmil
Structure of the M3 Muscarinic Acetylcholine Receptor
Descriptor: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ...
Authors:Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B.
Deposit date:2012-01-12
Release date:2012-02-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure and dynamics of the M3 muscarinic acetylcholine receptor.
Nature, 482, 2012
5WIU
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BU of 5wiu by Molmil
Structure of the human D4 Dopamine receptor in complex with Nemonapride
Descriptor: D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ...
Authors:Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
5WIV
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BU of 5wiv by Molmil
Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride
Descriptor: D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ...
Authors:Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.143 Å)
Cite:D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
5X7D
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BU of 5x7d by Molmil
Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, 1,4-BUTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Liu, X, Ahn, S, Kahsai, A.W, Meng, K.-C, Latorraca, N.R, Pani, B, Venkatakrishnan, A.J, Masoudi, A, Weis, W.I, Dror, R.O, Chen, X, Lefkowitz, R.J, Kobilka, B.K.
Deposit date:2017-02-25
Release date:2017-08-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Mechanism of intracellular allosteric beta 2AR antagonist revealed by X-ray crystal structure.
Nature, 548, 2017
6W4V
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BU of 6w4v by Molmil
Structure of anti-ferroportin Fab45D8
Descriptor: 1,2-ETHANEDIOL, Fab45D8 Heavy Chain, Fab45D8 Light Chain
Authors:Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A.
Deposit date:2020-03-11
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms.
Nature, 586, 2020
6WBV
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BU of 6wbv by Molmil
Structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc
Descriptor: (1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE, COBALT (II) ION, Fab45D8 Heavy Chain, ...
Authors:Billesboelle, C.B, Azumaya, C.M, Gonen, S, Powers, A, Kretsch, R.C, Schneider, S, Arvedson, T, Dror, R.O, Cheng, Y, Manglik, A.
Deposit date:2020-03-27
Release date:2020-09-09
Last modified:2020-11-11
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structure of hepcidin-bound ferroportin reveals iron homeostatic mechanisms.
Nature, 586, 2020
3PDS
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BU of 3pds by Molmil
Irreversible Agonist-Beta2 Adrenoceptor Complex
Descriptor: 8-hydroxy-5-[(1R)-1-hydroxy-2-({2-[3-methoxy-4-(3-sulfanylpropoxy)phenyl]ethyl}amino)ethyl]quinolin-2(1H)-one, CHOLESTEROL, Fusion protein Beta-2 adrenergic receptor/Lysozyme, ...
Authors:Rosenbaum, D.M, Zhang, C, Lyons, J.A, Holl, R, Aragao, D, Arlow, D.H, Rasmussen, S.G.F, Choi, H.-J, DeVree, B.T, Sunahara, R.K, Chae, P.S, Gellman, S.H, Dror, R.O, Shaw, D.E, Weis, W.I, Caffrey, M, Gmeiner, P, Kobilka, B.K.
Deposit date:2010-10-24
Release date:2011-01-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structure and function of an irreversible agonist-beta(2) adrenoceptor complex
Nature, 469, 2011
3VW7
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BU of 3vw7 by Molmil
Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHLORIDE ION, Proteinase-activated receptor 1, ...
Authors:Zhang, C, Srinivasan, Y, Arlow, D.H, Fung, J.J, Palmer, D, Zheng, Y, Green, H.F, Pandey, A, Dror, R.O, Shaw, D.E, Weis, W.I, Coughlin, S.R, Kobilka, B.K.
Deposit date:2012-08-07
Release date:2012-12-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:High-resolution crystal structure of human protease-activated receptor 1
Nature, 492, 2012
8TA2
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BU of 8ta2 by Molmil
Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with bound inhibitor AK-42
Descriptor: 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid, CHLORIDE ION, Chloride channel protein 2
Authors:Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M.
Deposit date:2023-06-26
Release date:2024-01-31
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite:CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Elife, 12, 2024
8TA3
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BU of 8ta3 by Molmil
Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain Apo state with resolved N-terminal hairpin
Descriptor: CHLORIDE ION, Chloride channel protein 2
Authors:Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M.
Deposit date:2023-06-26
Release date:2024-01-31
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Elife, 12, 2024
8TA4
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BU of 8ta4 by Molmil
Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with symmetric C-terminal
Descriptor: CHLORIDE ION, Chloride channel protein 2
Authors:Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M.
Deposit date:2023-06-26
Release date:2024-01-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Elife, 12, 2024
8TA5
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BU of 8ta5 by Molmil
Title: Cryo-EM structure of the human CLC-2 chloride channel transmembrane domain with asymmetric C-terminal
Descriptor: Chloride channel protein 2
Authors:Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M.
Deposit date:2023-06-26
Release date:2024-01-31
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Elife, 12, 2024
8TA6
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BU of 8ta6 by Molmil
Cryo-EM structure of the human CLC-2 chloride channel C-terminal domain
Descriptor: Chloride channel protein 2
Authors:Xu, M, Neelands, T, Powers, A.S, Liu, Y, Miller, S, Pintilie, G, Du Bois, J, Dror, R.O, Chiu, W, Maduke, M.
Deposit date:2023-06-26
Release date:2024-01-31
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (4.03 Å)
Cite:CryoEM structures of the human CLC-2 voltage-gated chloride channel reveal a ball-and-chain gating mechanism.
Elife, 12, 2024
5TVN
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BU of 5tvn by Molmil
Crystal structure of the LSD-bound 5-HT2B receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide, CHOLESTEROL, ...
Authors:Wacker, D, Wang, S, McCorvy, J.D, Betz, R.M, Venkatakrishnan, A.J, Levit, A, Lansu, K, Schools, Z.L, Che, T, Nichols, D.E, Shoichet, B.K, Dror, R.O, Roth, B.L.
Deposit date:2016-11-09
Release date:2017-02-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of an LSD-Bound Human Serotonin Receptor.
Cell, 168, 2017
5W0P
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BU of 5w0p by Molmil
Crystal structure of rhodopsin bound to visual arrestin determined by X-ray free electron laser
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolysin,Rhodopsin,S-arrestin
Authors:Zhou, X.E, He, Y, de Waal, P.W, Gao, X, Kang, Y, Van Eps, N, Yin, Y, Pal, K, Goswami, D, White, T.A, Barty, A, Latorraca, N.R, Chapman, H.N, Hubbell, W.L, Dror, R.O, Stevens, R.C, Cherezov, V, Gurevich, V.V, Griffin, P.R, Ernst, O.P, Melcher, K, Xu, H.E.
Deposit date:2017-05-31
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.013 Å)
Cite:Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors.
Cell, 170, 2017
6MXT
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BU of 6mxt by Molmil
Crystal structure of human beta2 adrenergic receptor bound to salmeterol and Nb71
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Endolysin, ...
Authors:Masureel, M, Zou, Y, Picard, L.P, van der Westhuizen, E, Mahoney, J.P, Rodrigues, J.P.G.L.M, Mildorf, T.J, Dror, R.O, Shaw, D.E, Bouvier, M, Pardon, E, Steyaert, J, Sunahara, R.K, Weis, W.I, Zhang, C, Kobilka, B.K.
Deposit date:2018-10-31
Release date:2018-11-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95934224 Å)
Cite:Structural insights into binding specificity, efficacy and bias of a beta2AR partial agonist.
Nat. Chem. Biol., 14, 2018
6O3C
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BU of 6o3c by Molmil
Crystal structure of active Smoothened bound to SAG21k, cholesterol, and NbSmo8
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide, ...
Authors:Deshpande, I.S, Liang, J, Hedeen, D, Roberts, K.J, Zhang, Y, Ha, B, Latorraca, N.R, Faust, B, Dror, R.O, Beachy, P.A, Myers, B.R, Manglik, A.
Deposit date:2019-02-26
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Smoothened stimulation by membrane sterols drives Hedgehog pathway activity.
Nature, 571, 2019
7RMG
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BU of 7rmg by Molmil
Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A.
Deposit date:2021-07-27
Release date:2021-11-03
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
7RMH
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BU of 7rmh by Molmil
Substance P bound to active human neurokinin 1 receptor in complex with miniGs399
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A.
Deposit date:2021-07-27
Release date:2021-11-03
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
7RMI
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BU of 7rmi by Molmil
SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
Authors:Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A.
Deposit date:2021-07-27
Release date:2021-11-03
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Selective G protein signaling driven by substance P-neurokinin receptor dynamics.
Nat.Chem.Biol., 18, 2022
7N98
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BU of 7n98 by Molmil
Cryo-EM structure of MFSD2A
Descriptor: Sodium-dependent lysophosphatidylcholine symporter 1
Authors:Zhang, J, Feng, L.
Deposit date:2021-06-17
Release date:2021-08-04
Last modified:2021-09-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and mechanism of blood-brain-barrier lipid transporter MFSD2A.
Nature, 596, 2021
7XK9
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BU of 7xk9 by Molmil
Structure of human beta2 adrenergic receptor bound to constrained isoproterenol
Descriptor: (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P.
Deposit date:2022-04-19
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023
7XKA
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BU of 7xka by Molmil
Structure of human beta2 adrenergic receptor bound to constrained epinephrine
Descriptor: (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ...
Authors:Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P.
Deposit date:2022-04-19
Release date:2023-04-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics.
Nat Commun, 14, 2023

 

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