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8JLK
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BU of 8jlk by Molmil
Ulotaront(SEP-363856)-bound mTAAR1-Gs protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLQ
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BU of 8jlq by Molmil
Fenoldopam-bound hTAAR1-Gs protein complex
Descriptor: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLN
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BU of 8jln by Molmil
T1AM-bound hTAAR1-Gs protein complex
Descriptor: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
4WCB
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BU of 4wcb by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, CHLORIDE ION
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
8JLJ
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BU of 8jlj by Molmil
T1AM-bound mTAAR1-Gs protein complex
Descriptor: 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLO
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BU of 8jlo by Molmil
Ulotaront(SEP-363856)-bound hTAAR1-Gs protein complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLR
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BU of 8jlr by Molmil
A77636-bound hTAAR1-Gs protein complex
Descriptor: (1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol, 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:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-02
Release date:2023-11-15
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
4WC9
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BU of 4wc9 by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235L
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-04
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
7XE4
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BU of 7xe4 by Molmil
structure of a membrane-bound glycosyltransferase
Descriptor: (11R,14S)-17-amino-14-hydroxy-8,14-dioxo-9,13,15-trioxa-14lambda~5~-phosphaheptadecan-11-yl decanoate, 1,3-beta-glucan synthase component FKS1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hu, X.L, Yang, P, Zhang, M, Liu, X.T, Yu, H.J.
Deposit date:2022-03-29
Release date:2023-03-29
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and mechanistic insights into fungal beta-1,3-glucan synthase FKS1.
Nature, 616, 2023
7VV0
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BU of 7vv0 by Molmil
Cryo-EM structure of pseudoallergen receptor MRGPRX2 complex with PAMP-12, local
Descriptor: CHOLESTEROL, Mas-related G-protein coupled receptor member X2, peptide from Pro-adrenomedullin
Authors:Li, Y, Yang, F.
Deposit date:2021-11-04
Release date:2021-12-01
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure, function and pharmacology of human itch receptor complexes.
Nature, 600, 2021
8CRO
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BU of 8cro by Molmil
Cryo-EM structure of Pyrococcus furiosus transcription elongation complex
Descriptor: DNA Non-Template Strand, DNA Template Strand, DNA-directed RNA polymerase subunit Rpo10, ...
Authors:Tarau, D.M, Grunberger, F, Reichelt, R, Heiss, F.B, Pilsl, M, Hausner, W, Engel, C, Grohmann, D.
Deposit date:2023-03-08
Release date:2024-04-17
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of archaeal RNA polymerase transcription elongation and Spt4/5 recruitment.
Nucleic Acids Res., 52, 2024
8DPG
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BU of 8dpg by Molmil
Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to psilocin
Descriptor: 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPI
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BU of 8dpi by Molmil
Cryo-EM structure of the 5HT2C receptor (VSV isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPF
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BU of 8dpf by Molmil
Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
8DPH
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BU of 8dph by Molmil
Cryo-EM structure of the 5HT2C receptor (VGV isoform) bound to lorcaserin
Descriptor: (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ...
Authors:Gumpper, R.H, Fay, J.F, Roth, B.L.
Deposit date:2022-07-15
Release date:2022-08-24
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors.
Cell Rep, 40, 2022
4WG5
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BU of 4wg5 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
Descriptor: 5-amino-3-[7-(cyclobutyloxy)quinolin-3-yl]-1-cyclohexyl-1H-pyrazole-4-carboxamide, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1647
to be published
6UGM
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BU of 6ugm by Molmil
Structural basis of COMPASS eCM recognition of an unmodified nucleosome
Descriptor: Bre2, DNA (146-MER), H3 N-terminus, ...
Authors:Hsu, P.L, Shi, H, Zheng, N.
Deposit date:2019-09-26
Release date:2019-11-20
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural Basis of H2B Ubiquitination-Dependent H3K4 Methylation by COMPASS.
Mol.Cell, 76, 2019
4WG3
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BU of 4wg3 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
Descriptor: 3-(7-ethoxynaphthalen-2-yl)-1-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Merritt, E.A.
Deposit date:2014-09-17
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1610
to be published
6UNQ
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BU of 6unq by Molmil
Kinase domain of ALK2-K493A with AMPPNP
Descriptor: Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Agnew, C, Jura, N.
Deposit date:2019-10-13
Release date:2021-07-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
6TUY
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BU of 6tuy by Molmil
Human LSD1/CoREST bound to the quinazoline inhibitor MC4106
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Mattevi, A, Marrocco, B.
Deposit date:2020-01-08
Release date:2021-07-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.
Eur.J.Med.Chem., 237, 2022
7M5V
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BU of 7m5v by Molmil
human ATP13A2 in the AMPPNP-bound occluded state
Descriptor: (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 1-DODECANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lee, K.P.K.
Deposit date:2021-03-24
Release date:2022-03-30
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanisms for gating and ion selectivity of the human polyamine transporter ATP13A2.
Mol.Cell, 81, 2021
6UCJ
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BU of 6ucj by Molmil
proIAPP in DPC Micelles - Two-Conformer Ensemble Refinement, Open Conformer
Descriptor: Islet amyloid polypeptide
Authors:DeLisle, C.F, Malooley, A.L, Banerjee, I, Lorieau, J.L.
Deposit date:2019-09-16
Release date:2020-02-26
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Pro-islet amyloid polypeptide in micelles contains a helical prohormone segment.
Febs J., 287, 2020
6V5C
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BU of 6v5c by Molmil
Human Drosha and DGCR8 in complex with Primary MicroRNA (MP/RNA complex) - partially docked state
Descriptor: Microprocessor complex subunit DGCR8, Pri-miR-16-2 (66-MER), Ribonuclease 3
Authors:Partin, A, Zhang, K, Jeong, B, Herrell, E, Li, S, Chiu, W, Nam, Y.
Deposit date:2019-12-04
Release date:2020-04-08
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Cryo-EM Structures of Human Drosha and DGCR8 in Complex with Primary MicroRNA.
Mol.Cell, 78, 2020
6UQS
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BU of 6uqs by Molmil
Serendipitous Discovery of Aryl Boronic Acids as beta-Lactamase Inhibitors
Descriptor: 2-hydroxyethyl hydrogen phenylboronate, Beta-lactamase, CHLORIDE ION
Authors:Scapin, G.
Deposit date:2019-10-21
Release date:2019-10-30
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Serendipitous discovery of aryl boronic acids as beta-lactamase inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6V6X
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BU of 6v6x by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000988632
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, ...
Authors:Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
Deposit date:2019-12-06
Release date:2020-12-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023

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PDB entries from 2024-10-09

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