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8J18
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BU of 8j18 by Molmil
Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex
Descriptor: (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ...
Authors:Liu, H, Yin, W, Xu, H.E.
Deposit date:2023-04-12
Release date:2023-06-21
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
2BZG
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BU of 2bzg by Molmil
Crystal structure of thiopurine S-methyltransferase.
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, THIOPURINE S-METHYLTRANSFERASE
Authors:Battaile, K.P, Wu, H, Zeng, H, Loppnau, P, Dong, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-08-17
Release date:2005-08-25
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Structural Basis of Allele Variation of Human Thiopurine-S-Methyltransferase.
Proteins, 67, 2007
8H8J
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BU of 8h8j by Molmil
Lodoxamide-bound GPR35 in complex with G13
Descriptor: 2,2'-[(2-chloro-5-cyano-1,3-phenylene)bis(azanediyl)]bis(oxoacetic acid), CALCIUM ION, CHOLESTEROL, ...
Authors:Yuan, Q, Duan, J, Liu, Q, Xu, H.E, Jiang, Y.
Deposit date:2022-10-23
Release date:2023-02-08
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Insights into divalent cation regulation and G 13 -coupling of orphan receptor GPR35.
Cell Discov, 8, 2022
8HBD
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BU of 8hbd by Molmil
Cryo-EM structure of IRL1620-bound ETBR-Gi complex
Descriptor: Endothelin receptor type B,Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, 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, ...
Authors:Yuan, Q, Ji, Y, Jiang, Y, Duan, J, Xu, H.E.
Deposit date:2022-10-28
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCX
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BU of 8hcx by Molmil
Cryo-EM structure of Endothelin1-bound ETBR-Gq complex
Descriptor: Endothelin receptor type B,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Endothelin-1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-03
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
8HCQ
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BU of 8hcq by Molmil
Cryo-EM structure of endothelin1-bound ETAR-Gq complex
Descriptor: Endothelin-1, Endothelin-1 receptor,Oplophorus-luciferin 2-monooxygenase catalytic subunit chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Yuan, Q, Jiang, Y, Xu, H.E, Ji, Y, Duan, J.
Deposit date:2022-11-02
Release date:2023-03-22
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis of peptide recognition and activation of endothelin receptors.
Nat Commun, 14, 2023
5Z1V
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BU of 5z1v by Molmil
Crystal structure of AvrPib
Descriptor: AvrPib protein
Authors:Zhang, X, He, D, Zhao, Y.X, Taylor, I.A, Peng, Y.L, Yang, J, Liu, J.F.
Deposit date:2017-12-28
Release date:2018-09-05
Last modified:2018-10-03
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:A positive-charged patch and stabilized hydrophobic core are essential for avirulence function of AvrPib in the rice blast fungus.
Plant J., 96, 2018
8DKB
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BU of 8dkb by Molmil
Crystal Structure of human YEATS4 in complex with Pfizer small molecule compound 3b
Descriptor: N-ethyl-1-{(3S,4S)-1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-4-yl}-2-methyl-1H-benzimidazole-5-carboxamide, YEATS domain-containing protein 4
Authors:Dias, J.M, Byrnes, L.J, Varghese, A.H.
Deposit date:2022-07-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4.
J.Med.Chem., 66, 2023
8DT4
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BU of 8dt4 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime MMB4 (POX-hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT2
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BU of 8dt2 by Molmil
X-ray structure of human acetylcholinesterase inhibited by paraoxon (POX-hAChE)
Descriptor: Acetylcholinesterase, DIETHYL PHOSPHONATE, DIMETHYL SULFOXIDE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT7
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BU of 8dt7 by Molmil
X-ray structure of human acetylcholinesterase in complex with oxime MMB4 (hAChE-MMB4)
Descriptor: 1,1'-methylenebis{4-[(E)-(hydroxyimino)methyl]pyridin-1-ium}, Acetylcholinesterase, GLYCEROL, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.207 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
8DT5
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BU of 8dt5 by Molmil
X-ray structure of human acetylcholinesterase ternary complex with paraoxon and oxime RS170B (POX-hAChE-RS170B)
Descriptor: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, DIETHYL PHOSPHONATE, ...
Authors:Kovalevsky, A.Y, Gerlits, O, Radic, Z.
Deposit date:2022-07-25
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and dynamic effects of paraoxon binding to human acetylcholinesterase by X-ray crystallography and inelastic neutron scattering.
Structure, 30, 2022
7LUX
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BU of 7lux by Molmil
AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2
Descriptor: Nucleoprotein AALALL, TETRAETHYLENE GLYCOL
Authors:Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.303 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LUZ
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BU of 7luz by Molmil
GQTVTK segment from the Nucleoprotein of SARS-CoV-2, residues 243-248
Descriptor: Nucleoprotein GQTVTK
Authors:Balbirnie, M, Sawaya, M.R, Eisenberg, D.S, Cascio, D.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LV2
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BU of 7lv2 by Molmil
GSQASS segment from the Nucleoprotein of SARS-CoV-2, residues 179-184
Descriptor: Nucleoprotein GSQASS
Authors:Hou, K, Sawaya, M.R, Eisenberg, D.S, Cascio, D.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LTU
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BU of 7ltu by Molmil
AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1
Descriptor: AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid
Authors:Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
Deposit date:2021-02-20
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.122 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
8XIO
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BU of 8xio by Molmil
Structure of L797591-SSTR1 G protein complex
Descriptor: (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide, G-alpha-i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIQ
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BU of 8xiq by Molmil
Structure of L796778-SSTR3 G protein complex
Descriptor: G-alpha i, 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, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIP
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BU of 8xip by Molmil
Structure of Pasireotide-SSTR1 G protein complex
Descriptor: 004-DTR-LYS-TY5-PHE-A1D5E, G-alpha i, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
8XIR
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BU of 8xir by Molmil
Structure of pasireotide-SSTR3 G protein complex
Descriptor: G-alpha i, 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, ...
Authors:Wang, Y, Xu, Y, Xu, H.E, Zhuang, Y.
Deposit date:2023-12-19
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Selective ligand recognition and activation of somatostatin receptors SSTR1 and SSTR3
To Be Published
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
Descriptor: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
Descriptor: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
Authors:Gerlits, O, Kovalevsky, A, Radic, Z.
Deposit date:2019-03-01
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
7RX3
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BU of 7rx3 by Molmil
afTMEM16 in C14 lipid nanodiscs with MSP1E3 scaffold protein in the absence of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, afTMEM16 lipid scramblase
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-21
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RXG
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BU of 7rxg by Molmil
afTMEM16 in C18 lipid nanodiscs with MSP1E3 scaffold protein in the presence of Ca2+, full dimer
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, afTMEM16 lipid scramblase
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-23
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.28 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022
7RWJ
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BU of 7rwj by Molmil
afTMEM16 in C22 lipid nanodiscs with MSP2N2 scaffold protein in the presnece of Ca2+
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CALCIUM ION, Plasma membrane channel protein (Aqy1), ...
Authors:Falzone, M.E, Accardi, A.
Deposit date:2021-08-20
Release date:2022-05-18
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:TMEM16 scramblases thin the membrane to enable lipid scrambling.
Nat Commun, 13, 2022

224201

數據於2024-08-28公開中

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