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7QG1
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BU of 7qg1 by Molmil
IRAK4 in complex with inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG5
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BU of 7qg5 by Molmil
IRAK4 in complex with inhibitor
Descriptor: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG2
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BU of 7qg2 by Molmil
IRAK4 in complex with inhibitor
Descriptor: 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.031 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG3
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BU of 7qg3 by Molmil
IRAK4 in complex with inhibitor
Descriptor: 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7Q0P
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BU of 7q0p by Molmil
Structure of the Candida albicans 80S ribosome in complex with anisomycin
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ...
Authors:Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M.
Deposit date:2021-10-15
Release date:2022-05-18
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
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:2025-07-02
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:2024-10-16
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JLP
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BU of 8jlp by Molmil
Ralmitaront(RO-6889450)-bound hTAAR1-Gs protein complex
Descriptor: 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide, Gs, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
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:2025-06-25
Method:ELECTRON MICROSCOPY (3.23 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:2025-06-18
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:2025-06-25
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSP
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BU of 8jsp by Molmil
Ulotaront(SEP-363856)-bound Serotonin 1A (5-HT1A) receptor-Gi complex
Descriptor: 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine, 5-hydroxytryptamine receptor 1A, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Xu, Z, Guo, L.L, Zhao, C, Shen, S.Y, Sun, J.P, Shao, Z.H.
Deposit date:2023-06-20
Release date:2023-11-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
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:2025-07-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
8JSO
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BU of 8jso by Molmil
AMPH-bound hTAAR1-Gs protein complex
Descriptor: (2S)-1-phenylpropan-2-amine, 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:2023-06-20
Release date:2023-11-15
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Ligand recognition and G-protein coupling of trace amine receptor TAAR1.
Nature, 624, 2023
7Q0F
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BU of 7q0f by Molmil
Structure of Candida albicans 80S ribosome in complex with phyllanthoside
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 3-O-acetyl-2-O-(3-O-acetyl-6-deoxy-beta-D-glucopyranosyl)-6-deoxy-1-O-{[(2R,2'S,3a'R,4''S,5''R,6'S,7a'S)-5''-methyl-4''-{[(2E)-3-phenylprop-2-enoyl]oxy}decahydrodispiro[oxirane-2,3'-[1]benzofuran-2',2''-pyran]-6'-yl]carbonyl}-beta-D-glucopyranose, ...
Authors:Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M.
Deposit date:2021-10-14
Release date:2022-05-18
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
7Q08
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BU of 7q08 by Molmil
Structure of Candida albicans 80S ribosome in complex with cycloheximide
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Zgadzay, Y, Kolosova, O, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M.
Deposit date:2021-10-14
Release date:2022-05-25
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
7Q0R
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BU of 7q0r by Molmil
Structure of the Candida albicans 80S ribosome in complex with blasticidin s
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ...
Authors:Kolosova, O, Zgadzay, Y, Stetsenko, A, Jenner, L, Guskov, A, Yusupova, G, Yusupov, M.
Deposit date:2021-10-16
Release date:2022-05-25
Last modified:2022-06-08
Method:ELECTRON MICROSCOPY (2.67 Å)
Cite:E-site drug specificity of the human pathogen Candida albicans ribosome.
Sci Adv, 8, 2022
8YLR
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BU of 8ylr by Molmil
State 6 (S6) of yeast 80S ribosome bound to 2 tRNAs and eEF2 and eEF3 during tranlocation
Descriptor: 18S rRNA, 25S rRNA, 5.8S rRNA, ...
Authors:Cheng, J, Wu, C.L, Li, J.X, Zhang, X.Z.
Deposit date:2024-03-06
Release date:2024-12-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Capturing eukaryotic ribosome dynamics in situ at high resolution.
Nat.Struct.Mol.Biol., 32, 2025
1DWW
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BU of 1dww by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
8Z70
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BU of 8z70 by Molmil
State 1 (S1) of yeast 80S ribosome bound to 2 tRNAs during mRNA decoding
Descriptor: 18S rRNA, 25S rRNA, 5.8S rRNA, ...
Authors:Cheng, J, Wu, C.L, Li, J.X, Zhang, X.Z.
Deposit date:2024-04-19
Release date:2024-12-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Capturing eukaryotic ribosome dynamics in situ at high resolution.
Nat.Struct.Mol.Biol., 32, 2025
8Z71
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BU of 8z71 by Molmil
State 1a (S1a) of yeast 80S ribosome bound to open eEF3 and 2 tRNAs and eEF1A during mRNA decoding
Descriptor: 18S rRNA, 25S rRNA, 5.8S rRNA, ...
Authors:Cheng, J, Wu, C.L, Li, J.X, Zhang, X.Z.
Deposit date:2024-04-19
Release date:2024-12-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Capturing eukaryotic ribosome dynamics in situ at high resolution.
Nat.Struct.Mol.Biol., 32, 2025
8XU8
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BU of 8xu8 by Molmil
State 2c(S2c) of yeast 80S ribosome bound to compact eEF2 and 2 tRNAs during peptidyl transferation
Descriptor: 18S rRNA, 25S rRNA, 5.8S rRNA, ...
Authors:Cheng, J, Wu, C.L, Li, J.X, Zhang, X.Z.
Deposit date:2024-01-12
Release date:2024-12-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Capturing eukaryotic ribosome dynamics in situ at high resolution.
Nat.Struct.Mol.Biol., 32, 2025
8IKH
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BU of 8ikh by Molmil
Cryo-EM structure of human receptor with G proteins
Descriptor: 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, S.Y, Shao, Z.H.
Deposit date:2023-02-28
Release date:2024-06-05
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
8IKG
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BU of 8ikg by Molmil
Cryo-EM structure of human receptor with G proteins
Descriptor: 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Shen, S.Y, Shao, Z.H.
Deposit date:2023-02-28
Release date:2024-06-05
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
6J8R
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BU of 6j8r by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS01
Descriptor: Beta-lactamase class B VIM-2, FORMIC ACID, GLYCEROL, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
6J8Q
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BU of 6j8q by Molmil
Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor WL-001
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, SULFATE ION, ...
Authors:Li, G.-B, Liu, S.
Deposit date:2019-01-21
Release date:2019-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.787 Å)
Cite:Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019

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