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8WRH
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BU of 8wrh by Molmil
SARS-CoV-2 XBB.1.5.70 in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
著者Feng, L.L, Feng, L.L.
登録日2023-10-14
公開日2023-11-29
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRL
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BU of 8wrl by Molmil
XBB.1.5 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1
著者Feng, L.L, Feng, L.L.
登録日2023-10-15
公開日2023-11-29
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
7QJU
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BU of 7qju by Molmil
EED in complex with PRC2 allosteric inhibitor compound 7
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJG
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BU of 7qjg by Molmil
EED in complex with PRC2 allosteric inhibitor compound 6
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-16
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QK4
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BU of 7qk4 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
分子名称: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
登録日2021-12-17
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
8WRM
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BU of 8wrm by Molmil
XBB.1.5 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Feng, L.L, Feng, L.L.
登録日2023-10-15
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WRO
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BU of 8wro by Molmil
XBB.1.5.10 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein,Spike glycoprotein,Spike glycoprotein,Fusion protein
著者Feng, L.L, Feng, L.L.
登録日2023-10-15
公開日2023-12-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTD
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BU of 8wtd by Molmil
XBB.1.5.10 RBD in complex with ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S2'
著者Feng, L.L, Feng, L.L.
登録日2023-10-18
公開日2023-12-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
8WTJ
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BU of 8wtj by Molmil
XBB.1.5.70 spike protein in complex with ACE2
分子名称: Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Feng, L.L, Feng, L.L.
登録日2023-10-18
公開日2023-12-13
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.64 Å)
主引用文献Convergent evolution of SARS-CoV-2 XBB lineages on receptor-binding domain 455-456 synergistically enhances antibody evasion and ACE2 binding.
Plos Pathog., 19, 2023
6PXG
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BU of 6pxg by Molmil
Crystal Structure of MERS-CoV neutralizing antibody G2 Fab
分子名称: G2 Fab Heavy Chain, G2 Fab Light chain
著者Wang, N, McLellan, J.S.
登録日2019-07-26
公開日2019-09-25
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
6PXH
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BU of 6pxh by Molmil
Crystal Structure of MERS-CoV S1-NTD bound with G2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DIHYDROFOLIC ACID, ...
著者Wang, N, McLellan, J.S.
登録日2019-07-26
公開日2019-09-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Definition of a Neutralization-Sensitive Epitope on the MERS-CoV S1-NTD.
Cell Rep, 28, 2019
6LH8
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BU of 6lh8 by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-07
公開日2020-06-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
7YBL
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BU of 7ybl by Molmil
SARS-CoV-2 B.1.620 variant spike (close state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
6LHZ
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BU of 6lhz by Molmil
Structure of aerolysin-like protein (Bombina maxima)
分子名称: aerolysin-like protein
著者Bian, X.L, Wang, Q.Q, Li, X, Teng, M.Q, Zhang, Y.
登録日2019-12-10
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献A cellular endolysosome-modulating pore-forming protein from a toad is negatively regulated by its paralog under oxidizing conditions.
J.Biol.Chem., 295, 2020
7YBK
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BU of 7ybk by Molmil
SARS-CoV-2 B.1.620 variant spike (open state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-09-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBH
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BU of 7ybh by Molmil
SARS-CoV-2 lambda variant spike
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
7YBM
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BU of 7ybm by Molmil
SARS-CoV-2 C.1.2 variant spike (Close state)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Fu, W.
登録日2022-06-29
公開日2023-08-09
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structures of SARS-CoV-2 spike protein alert noteworthy sites for the potential approaching variants.
Virol Sin, 37, 2022
5HW4
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BU of 5hw4 by Molmil
Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet
分子名称: Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE
著者Zhao, M, Zhang, H, Dong, Y, Gong, Y.
登録日2016-01-28
公開日2016-10-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.211 Å)
主引用文献Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI
Plos One, 11, 2016
5H25
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BU of 5h25 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 11
分子名称: 5-(2-fluorophenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
5H24
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BU of 5h24 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 8
分子名称: 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-10-14
公開日2017-01-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy
J. Med. Chem., 60, 2017
7YGF
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BU of 7ygf by Molmil
Crystal structure of YggS from Fusobacterium nucleatum
分子名称: Pyridoxal phosphate homeostasis protein, SULFATE ION
著者He, S.R, Chan, Y.Y, Wang, L.L, Bai, X, Bu, T.T, Zhang, J, Xu, Y.B.
登録日2022-07-11
公開日2022-10-12
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural and Functional Analysis of the Pyridoxal Phosphate Homeostasis Protein YggS from Fusobacterium nucleatum.
Molecules, 27, 2022
6E99
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BU of 6e99 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
分子名称: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
著者Judge, R.A, Hobson, A.D.
登録日2018-07-31
公開日2018-11-14
最終更新日2019-01-16
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
4X1D
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BU of 4x1d by Molmil
Ytterbium-bound human serum transferrin
分子名称: GLYCEROL, MALONATE ION, Serotransferrin, ...
著者Wang, M, Zhang, H, Sun, H.
登録日2014-11-24
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献"Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015
6ED6
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BU of 6ed6 by Molmil
Crystal structure of Rock2 with a pyridinylbenzamide based inhibitor
分子名称: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, Rho-associated protein kinase 2
著者Judge, R.A, Hobson, A.D.
登録日2018-08-08
公開日2018-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.
J. Med. Chem., 61, 2018
4X1B
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BU of 4x1b by Molmil
Human serum transferrin with ferric ion bound at the C-lobe only
分子名称: FE (III) ION, GLYCEROL, MALONATE ION, ...
著者Wang, M, Zhang, H, Sun, H.
登録日2014-11-24
公開日2015-04-08
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献"Anion clamp" allows flexible protein to impose coordination geometry on metal ions
Chem.Commun.(Camb.), 51, 2015

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