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8TTW
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BU of 8ttw by Molmil
Cryo-EM structure of BG505 SOSIP.664 HIV-1 Env trimer in complex with temsavir, 8ANC195, and 10-1074
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tolbert, W.D, Pozharski, E, Pazgier, M.
登録日2023-08-15
公開日2023-11-08
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
6IV6
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BU of 6iv6 by Molmil
Cryo-EM structure of AcrVA5-acetylated MbCas12a in complex with crRNA
分子名称: RNA (59-MER), nuclease
著者Dong, L, Li, N, Guan, X, Zhu, Y, Gao, N, Huang, Z.
登録日2018-12-02
公開日2019-04-10
最終更新日2019-11-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献An anti-CRISPR protein disables type V Cas12a by acetylation.
Nat. Struct. Mol. Biol., 26, 2019
7V9M
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BU of 7v9m by Molmil
Cryo-EM structure of the GHRH-bound human GHRHR splice variant 1 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(s) subunit alpha isoforms short, ...
著者Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Chen, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2021-10-20
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
7V9L
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BU of 7v9l by Molmil
Cryo-EM structure of the SV1-Gs complex.
分子名称: GHRH receptor splice variant 1,GHRH receptor splice variant 1,GHRH receptor splice variant 1,SV1, 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Cong, Z.T, Zhou, F.L, Zhang, C, Zou, X.Y, Zhang, H.B, Wang, Y.Z, Zhou, Q.T, Cai, X.Q, Liu, Q.F, Li, J, Shao, L.J, Mao, C.Y, Wang, X, Wu, J.H, Xia, T, Zhao, L.H, Jiang, H.L, Zhang, Y, Xu, H.E, Cheng, X, Yang, D.H, Wang, M.W.
登録日2021-08-26
公開日2022-04-06
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Constitutive signal bias mediated by the human GHRHR splice variant 1.
Proc.Natl.Acad.Sci.USA, 118, 2021
8CZZ
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BU of 8czz by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074
分子名称: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M.
登録日2022-05-25
公開日2023-05-31
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
8DV2
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BU of 8dv2 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to computationally engineered ACE2 mimetic CVD293
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion, Spike glycoprotein
著者QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
登録日2022-07-27
公開日2022-08-31
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
8DV1
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BU of 8dv1 by Molmil
SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic CVD432
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain, Spike glycoprotein
著者QCRG Structural Biology Consortium, Remesh, S.G, Merz, G.E, Brilot, A.F, Chio, U, Verba, K.A.
登録日2022-07-27
公開日2022-08-31
最終更新日2023-03-15
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Computational pipeline provides mechanistic understanding of Omicron variant of concern neutralizing engineered ACE2 receptor traps.
Structure, 31, 2023
5VGO
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BU of 5vgo by Molmil
Bruton's tyrosine kinase (BTK) with compound G-744
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ...
著者Yu, C, Eigenbrot, C.
登録日2017-04-11
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties.
ACS Med Chem Lett, 8, 2017
8H59
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BU of 8h59 by Molmil
A fungal MAP kinase in complex with an inhibitor
分子名称: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
著者Kong, Z, Zhang, X, Wang, D, Liu, J.
登録日2022-10-12
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
2QJK
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BU of 2qjk by Molmil
Crystal Structure Analysis of mutant rhodobacter sphaeroides bc1 with stigmatellin and antimycin
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, 2-O-octyl-beta-D-glucopyranose, ...
著者Esser, L.
登録日2007-07-07
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Inhibitor-complexed structures of the cytochrome bc1 from the photosynthetic bacterium Rhodobacter sphaeroides.
J.Biol.Chem., 283, 2008
2QJP
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BU of 2qjp by Molmil
Crystal structure of wild type rhodobacter sphaeroides with stigmatellin and antimycin inhibited
分子名称: (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE, (2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-2-HYDROXYBENZOYL]AMINO}-8-HEXYL-2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-7-YL (2S)-2-METHYLBUTANOATE, 2-O-octyl-beta-D-glucopyranose, ...
著者Esser, L, Xia, D.
登録日2007-07-08
公開日2007-12-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Inhibitor-complexed structures of the cytochrome bc1 from the photosynthetic bacterium Rhodobacter sphaeroides.
J.Biol.Chem., 283, 2008
3PP1
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BU of 3pp1 by Molmil
Crystal Structure of the Human Mitogen-activated protein kinase kinase 1 (MEK 1) in complex with ligand and MgATP
分子名称: 3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Dougan, D.R.
登録日2010-11-23
公開日2011-02-23
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer.
Bioorg.Med.Chem.Lett., 21, 2011
7EPT
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BU of 7ept by Molmil
Structural basis for the tethered peptide activation of adhesion GPCRs
分子名称: Adhesion G-protein coupled receptor D1, 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Ping, Y.-Q, Xiao, P, Yang, F, Zhao, R.-J, Guo, S.-C, Yan, X, Wu, X, Liebscher, I, Xu, H.E, Sun, J.-P.
登録日2021-04-27
公開日2022-05-11
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for the tethered peptide activation of adhesion GPCRs.
Nature, 604, 2022
7EQ1
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BU of 7eq1 by Molmil
GPR114-Gs-scFv16 complex
分子名称: Adhesion G-protein coupled receptor G5, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ping, Y.
登録日2021-04-28
公開日2022-05-11
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the tethered peptide activation of adhesion GPCRs.
Nature, 604, 2022
7Y1F
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BU of 7y1f by Molmil
Cryo-EM structure of human k-opioid receptor-Gi complex
分子名称: Dynorphin, 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Chen, B.O, Xu, F.E.
登録日2022-06-08
公開日2023-05-24
最終更新日2023-06-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of human kappa-opioid receptor-Gi complex bound to an endogenous agonist dynorphin A.
Protein Cell, 14, 2023
8GZ1
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BU of 8gz1 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2,apo state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Sodium channel protein type 8 subunit alpha, ...
著者Li, Y, Jiang, D.
登録日2022-09-24
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
8GZ2
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BU of 8gz2 by Molmil
Cryo-EM structure of human NaV1.6/beta1/beta2-4,9-anhydro-tetrodotoxin
分子名称: (1R,2S,3S,4R,5R,9S,11S,12S,14R)-7-amino-2,4,12-trihydroxy-2-(hydroxymethyl)-10,13,15-trioxa-6,8-diazapentacyclo[7.4.1.1~3,12~.0~5,11~.0~5,14~]pentadec-7-en-8-ium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 8 subunit alpha, ...
著者Li, Y, Jiang, D.
登録日2022-09-24
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of human Na V 1.6 channel reveals Na + selectivity and pore blockade by 4,9-anhydro-tetrodotoxin.
Nat Commun, 14, 2023
8HK6
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BU of 8hk6 by Molmil
potassium channel
分子名称: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-25
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKK
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BU of 8hkk by Molmil
ion channel
分子名称: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-27
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKF
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BU of 8hkf by Molmil
ion channel
分子名称: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION
著者Jiang, D.H, Zhang, Z.T.
登録日2022-11-25
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.66 Å)
主引用文献Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKM
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BU of 8hkm by Molmil
ion channel
分子名称: POTASSIUM ION, Potassium channel subfamily T member 1, ZINC ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-27
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HKQ
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BU of 8hkq by Molmil
ion channel
分子名称: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-27
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
8HIR
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BU of 8hir by Molmil
potassium channels
分子名称: POTASSIUM ION, Potassium channel subfamily T member 1, SODIUM ION, ...
著者Jiang, D.H, Zhang, J.T.
登録日2022-11-21
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Structural basis of human Slo2.2 channel gating and modulation.
Cell Rep, 42, 2023
7DFH
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BU of 7dfh by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to ribavirin
分子名称: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published
7DFG
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BU of 7dfg by Molmil
Structure of COVID-19 RNA-dependent RNA polymerase bound to favipiravir
分子名称: 6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide, MAGNESIUM ION, Non-structural protein 7, ...
著者Li, Z, Zhou, Z, Yu, X.
登録日2020-11-08
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural basis for repurpose and design of nucleotide drugs for treating COVID-19
To Be Published

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件を2024-06-12に公開中

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