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7RAN
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BU of 7ran by Molmil
5-HT2AR bound to a novel agonist in complex with a mini-Gq protein and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
分子名称: (3R)-3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,3,6-tetrahydropyridin-1-ium, 5-hydroxytryptamine receptor 2A, G protein subunit q (Gi2-mini-Gq chimera), ...
著者Barros-Alvarez, X, Kim, K, Panova, O, Roth, B.L, Skiniotis, G.
登録日2021-07-02
公開日2022-07-06
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Bespoke library docking for 5-HT 2A receptor agonists with antidepressant activity.
Nature, 610, 2022
7U2L
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BU of 7u2l by Molmil
C5guano-uOR-Gi-scFv16
分子名称: 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(i) subunit alpha-1, ...
著者Wang, H, Qu, Q, Skiniotis, G, Kobilka, B.
登録日2022-02-24
公開日2022-05-04
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
8E7M
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BU of 8e7m by Molmil
Structure of the human ACE2 receptor in complex with antibody Fab fragment, 05B04
分子名称: 05B04 Heavy Chain, 05B04 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Barnes, C.O.
登録日2022-08-24
公開日2022-09-28
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Human anti-ACE2 monoclonal antibodies as pan-sarbecovirus prophylactic agents
Biorxiv, 2022
7T2H
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BU of 7t2h by Molmil
CryoEM structure of mu-opioid receptor - Gi protein complex bound to lofentanil (LFT)
分子名称: 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(i) subunit alpha-1, ...
著者Seven, A.B, Qu, Q, Huang, W, Robertson, M.J, Kobilka, B.K, Skiniotis, G.
登録日2021-12-04
公開日2022-12-07
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Insights into distinct signaling profiles of the mu OR activated by diverse agonists.
Nat.Chem.Biol., 2022
7T2G
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BU of 7t2g by Molmil
CryoEM structure of mu-opioid receptor - Gi protein complex bound to mitragynine pseudoindoxyl (MP)
分子名称: CHOLESTEROL, 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, ...
著者Seven, A.B, Qu, Q, Robertson, M.J, Wang, H, Kobilka, B.K, Skiniotis, G.
登録日2021-12-04
公開日2022-12-07
最終更新日2023-02-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Insights into distinct signaling profiles of the mu OR activated by diverse agonists.
Nat.Chem.Biol., 2022
8D1W
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BU of 8d1w by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with (2R,3R,4S,5R)-2-(6-amino-8-((2-chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
分子名称: 8-{[(2-chlorophenyl)methyl]amino}adenosine, Chaperone DnaK, SULFATE ION
著者Mrozek, A, Chen, Y, Antoshchenko, T, Park, H.W, Smil, D, Zepeda, C.A.V.
登録日2022-05-27
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting Plasmodium falciparum GRP78: nucleoside analogues as agents against the malaria chaperone
Frontiers in Molecular Bioscience, 2022
6WHA
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BU of 6wha by Molmil
HTR2A bound to 25-CN-NBOH in complex with a mini-Galpha-q protein, beta/gamma subunits and an active-state stabilizing single-chain variable fragment (scFv16) obtained by cryo-electron microscopy (cryoEM)
分子名称: 4-(2-{[(2-hydroxyphenyl)methyl]amino}ethyl)-2,5-dimethoxybenzonitrile, G subunit q (Gi2-mini-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Skiniotis, G, Roth, B, Kim, K, Panova, O.
登録日2020-04-07
公開日2020-09-23
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Structure of a Hallucinogen-Activated Gq-Coupled 5-HT2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
7Q72
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BU of 7q72 by Molmil
Structure of Pla1 in complex with Red1
分子名称: NURS complex subunit red1, Poly(A) polymerase pla1
著者Soni, K, Wild, K, Sinning, I.
登録日2021-11-09
公開日2022-12-07
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic insights into RNA surveillance by the canonical poly(A) polymerase Pla1 of the MTREC complex.
Nat Commun, 14, 2023
7Q73
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Structure of Pla1 apo
分子名称: GLYCEROL, Poly(A) polymerase pla1
著者Soni, K, Wild, K, Sinning, I.
登録日2021-11-09
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic insights into RNA surveillance by the canonical poly(A) polymerase Pla1 of the MTREC complex.
Nat Commun, 14, 2023
7Q74
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BU of 7q74 by Molmil
Structure of Pla1 apo, with a C-terminal deletion
分子名称: Poly(A) polymerase pla1
著者Soni, K, Wild, K, Sinning, I.
登録日2021-11-09
公開日2022-12-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.599 Å)
主引用文献Mechanistic insights into RNA surveillance by the canonical poly(A) polymerase Pla1 of the MTREC complex.
Nat Commun, 14, 2023
7X7T
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BU of 7x7t by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with three nAbs X01, X10 and X17
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
著者Sun, H, Liu, L, Zheng, Q, Li, S, Zhang, T, Xia, N.
登録日2022-03-10
公開日2022-08-17
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.48 Å)
主引用文献The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7V
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BU of 7x7v by Molmil
Cryo-EM structure of SARS-CoV spike protein in complex with three nAbs X01, X10 and X17
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
著者Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
登録日2022-03-10
公開日2022-08-17
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.83 Å)
主引用文献The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X7U
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BU of 7x7u by Molmil
Cryo-EM structure of SARS-CoV-2 Delta variant spike protein in complex with three nAbs X01, X10 and X17
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, X01 heavy chain, ...
著者Sun, H, Liu, L, Zhang, T, Zheng, Q, Li, S, Xia, N.
登録日2022-03-10
公開日2022-08-17
最終更新日2022-11-23
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献The neutralizing breadth of antibodies targeting diverse conserved epitopes between SARS-CoV and SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
6TRU
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BU of 6tru by Molmil
Crystal structure of the N-terminal half of the TFIIH subunit p52
分子名称: RNA polymerase II transcription factor B subunit 2
著者Koelmel, W, Kuper, J, Schoenwetter, E, Kisker, C.
登録日2019-12-19
公開日2020-10-21
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献How to limit the speed of a motor: the intricate regulation of the XPB ATPase and translocase in TFIIH.
Nucleic Acids Res., 48, 2020
7U2K
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BU of 7u2k by Molmil
C6-guano bound Mu Opioid Receptor-Gi Protein Complex
分子名称: 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(i) subunit alpha-1, ...
著者Wang, H, Kobilka, B.
登録日2022-02-24
公開日2022-12-07
最終更新日2023-02-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure-based design of bitopic ligands for the μ-opioid receptor.
Nature, 613, 2023
8HQS
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BU of 8hqs by Molmil
Cryo-EM structure of 8-subunit Smc5/6 head region
分子名称: DNA repair protein KRE29, Non-structural maintenance of chromosome element 3, Non-structural maintenance of chromosome element 4, ...
著者Qian, L, Jun, Z, Xiang, Z, Tong, C, Wang, Z, Duo, J, Zhenguo, C, Wang, L.
登録日2022-12-14
公開日2024-06-19
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I4U
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BU of 8i4u by Molmil
Cryo-EM structure of 5-subunit Smc5/6 hinge region
分子名称: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
著者Qian, L, Jun, Z, Xiang, Z, Wang, Z, Tong, C, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (6.73 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8I4X
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BU of 8i4x by Molmil
Cryo-EM structure of 5-subunit Smc5/6
分子名称: E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 5, Nse6, ...
著者Qian, L, Jun, Z, Xiang, Z, Zhaoning, W, Tong, C, Duo, J, Zhenguo, C, Wang, L.
登録日2023-01-21
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (8.5 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
分子名称: Spike protein S1, scFv
著者Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
登録日2022-08-27
公開日2023-06-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8I21
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BU of 8i21 by Molmil
Cryo-EM structure of 6-subunit Smc5/6 arm region
分子名称: E3 SUMO-protein ligase MMS21, Structural maintenance of chromosomes protein 5, Structural maintenance of chromosomes protein 6
著者Jun, Z, Qian, L, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W.
登録日2023-01-13
公開日2024-06-26
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (6.02 Å)
主引用文献Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms.
Nat.Struct.Mol.Biol., 31, 2024
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-25
公開日2023-06-28
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7SVP
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BU of 7svp by Molmil
Structure of compound 34 bound to human Phospholipase D2 catalytic domain
分子名称: 1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one, Phospholipase D2
著者Metrick, C.M, Chodaparambil, J.V.
登録日2021-11-19
公開日2023-01-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance.
Acs Med.Chem.Lett., 13, 2022
8VPG
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BU of 8vpg by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
分子名称: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024

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