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8SZI
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BU of 8szi by Molmil
Cryo-EM structure of PAM-free human calcium-sensing receptor CaSR-Gi complex in lipid nanodiscs
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, F, Wu, C, Gao, Y, Skiniotis, G.
Deposit date:2023-05-29
Release date:2024-02-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
8SZG
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BU of 8szg by Molmil
Cryo-EM structure of cinacalcet-bound human calcium-sensing receptor CaSR-Gq complex in lipid nanodiscs
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, F, Wu, C, Gao, Y, Skiniotis, G.
Deposit date:2023-05-29
Release date:2024-02-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
8SZH
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BU of 8szh by Molmil
Cryo-EM structure of cinacalcet-bound human calcium-sensing receptor CaSR-Gi complex in lipid nanodiscs
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:He, F, Wu, C, Gao, Y, Skiniotis, G.
Deposit date:2023-05-29
Release date:2024-02-07
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Allosteric modulation and G-protein selectivity of the Ca 2+ -sensing receptor.
Nature, 626, 2024
8QWS
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BU of 8qws by Molmil
Crystal structure of CotB2 variant V80L in complex with alendronate
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
Authors:Dimos, N, Himpich, S, Ringel, M, Driller, R, Major, D.T, Brueck, T, Loll, B.
Deposit date:2023-10-20
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of CotB2 variant V80L in complex with alendronate
To Be Published
4RUX
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BU of 4rux by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
Descriptor: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
8TKF
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BU of 8tkf by Molmil
Human Type 3 IP3 Receptor - Activated State (+IP3/ATP/JD Ca2+)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Paknejad, N, Sapuru, V, Hite, R.K.
Deposit date:2023-07-25
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor.
Nat Commun, 14, 2023
8TKG
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BU of 8tkg by Molmil
Human Type 3 IP3 Receptor - Resting State (+IP3/ATP)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Paknejad, N, Sapuru, V, Hite, R.K.
Deposit date:2023-07-25
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor.
Nat Commun, 14, 2023
8TK8
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BU of 8tk8 by Molmil
Human Type 3 IP3 Receptor - Resting State (+IP3/ATP)
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ...
Authors:Paknejad, N, Sapuru, V, Hite, R.K.
Deposit date:2023-07-25
Release date:2023-11-08
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural titration reveals Ca 2+ -dependent conformational landscape of the IP 3 receptor.
Nat Commun, 14, 2023
8THH
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BU of 8thh by Molmil
Cryo-EM structure of Nav1.7 with LTG
Descriptor: (6M)-6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-07-16
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
8THG
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BU of 8thg by Molmil
Cryo-EM structure of Nav1.7 with RLZ
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, X, Huang, J, Yan, N.
Deposit date:2023-07-16
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Dual-pocket inhibition of Na v channels by the antiepileptic drug lamotrigine.
Proc.Natl.Acad.Sci.USA, 120, 2023
4Z41
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BU of 4z41 by Molmil
X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))
Descriptor: 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ...
Authors:Merlino, A.
Deposit date:2015-04-01
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.
Inorg.Chem., 54, 2015
4Z1U
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BU of 4z1u by Molmil
MIF in complex with 1-(4-methylphenyl)-3-phenylprop-2-yn-1-one
Descriptor: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
Authors:Cho, T.Y.
Deposit date:2015-03-27
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for decreased induction of class IB PI3-kinases expression by MIF inhibitors.
J. Cell. Mol. Med., 21, 2017
3UA9
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BU of 3ua9 by Molmil
Crystal structure of human tankyrase 2 in complex with a selective inhibitor
Descriptor: 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Narwal, M, Lehtio, L.
Deposit date:2011-10-21
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural basis of selective inhibition of human tankyrases.
J.Med.Chem., 55, 2012
3TKD
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BU of 3tkd by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with glutamate and cyclothiazide at 1.45 A resolution
Descriptor: CYCLOTHIAZIDE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ...
Authors:Krintel, C, Frydenvang, K, Gajhede, M, Kastrup, J.S.
Deposit date:2011-08-26
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Thermodynamics and structural analysis of positive allosteric modulation of the ionotropic glutamate receptor GluA2.
Biochem.J., 441, 2012
8FOB
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BU of 8fob by Molmil
Cryo-EM structure of human TRPV6 in the open state
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, ...
Authors:Neuberger, A, Yelshanskaya, M.V, Nadezhdin, K.D, Sobolevsky, A.I.
Deposit date:2022-12-30
Release date:2023-05-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Structural mechanism of human oncochannel TRPV6 inhibition by the natural phytoestrogen genistein.
Nat Commun, 14, 2023
8FY6
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BU of 8fy6 by Molmil
SARS-CoV-2 main protease in complex with covalent inhibitor
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
Authors:Fried, W, Chen, X.S.
Deposit date:2023-01-25
Release date:2023-08-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8FPC
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BU of 8fpc by Molmil
Conformation 1 of the ligand binding domain (LBDconf1) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100mM glutamate (Open-CaNaMg)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-04
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.78 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FPH
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BU of 8fph by Molmil
Conformation 2 of the ligand binding domain (LBDconf2) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100mM glutamate (Open-CaNaMg)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-04
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FPL
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BU of 8fpl by Molmil
LBD conformation 2 (LBDconf2) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100uM CNQX (Closed-CaNaMg)
Descriptor: 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione, CYCLOTHIAZIDE, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-04
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FPK
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BU of 8fpk by Molmil
LBD conformation 1 of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100uM CNQX (Closed-CaNaMg)
Descriptor: 6-(aminomethyl)-7-nitro-1,4-dihydroquinoxaline-2,3-dione, CYCLOTHIAZIDE, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-04
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FQ8
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BU of 8fq8 by Molmil
LBD conformation 1 (LBDconf1) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma2, with 140mM NMDG, 330uM CTZ, and 100mM L-glutamate (Open-Na110)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-05
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FQG
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BU of 8fqg by Molmil
LBD conformation 1 (LBDconf1) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma-2, with 150mM NaCl, 330uM CTZ, and 100mM glutamate (Open-Na260)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-06
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FQE
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BU of 8fqe by Molmil
LBD conformation 2 (LBDconf2) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma2, with 10mM CaCl2, 140mM NMDG, 330uM CTZ, and 100mM L-glutamate (Open-Ca10)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-06
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FQD
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BU of 8fqd by Molmil
LBD conformation 1 (LBDconf1) of GluA2 flip Q isoform of AMPA receptor in complex with gain-of-function TARP gamma2, with 10mM CaCl2, 140mM NMDG, 330uM CTZ, and 100mM L-glutamate (Open-Ca10)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-06
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024
8FQ2
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BU of 8fq2 by Molmil
LBD conformation 1 (LBDconf1) of GluA2 flip Q isoform N619K mutant of AMPA receptor in complex with gain-of-function TARP gamma-2, with 10mM CaCl2, 150mM NaCl, 1mM MgCl2, 330uM CTZ, and 100mM glutamate (Open-CaNaMg/N619K)
Descriptor: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2
Authors:Nakagawa, T.
Deposit date:2023-01-05
Release date:2024-02-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The open gate of the AMPA receptor forms a Ca 2+ binding site critical in regulating ion transport.
Nat.Struct.Mol.Biol., 31, 2024

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