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5WBQ
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BU of 5wbq by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile, CHLORIDE ION, Ketohexokinase, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
3J0G
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BU of 3j0g by Molmil
Homology model of E3 protein of Venezuelan Equine Encephalitis Virus TC-83 strain fitted with a cryo-EM map
分子名称: E3 protein
著者Zhang, R, Hryc, C.F, Chiu, W.
登録日2011-07-21
公開日2011-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献4.4 angstrom cryo-EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus.
Embo J., 30, 2011
7DF4
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BU of 7df4 by Molmil
SARS-CoV-2 S-ACE2 complex
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, Angiotensin-converting enzyme 2, ...
著者Cong, X, Yao, C.
登録日2020-11-06
公開日2020-12-16
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
7DF3
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BU of 7df3 by Molmil
SARS-CoV-2 S trimer, S-closed
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Cong, X, Yao, C.
登録日2020-11-06
公開日2020-12-16
最終更新日2021-02-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM.
Sci Adv, 7, 2021
6ZRT
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BU of 6zrt by Molmil
Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease
著者Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
登録日2020-07-14
公開日2020-08-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
6ZRU
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BU of 6zru by Molmil
Crystal structure of SARS CoV2 main protease in complex with inhibitor Boceprevir
分子名称: DIMETHYL SULFOXIDE, Main Protease, boceprevir (bound form)
著者Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R.
登録日2020-07-14
公開日2020-08-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics.
Rsc Med Chem, 12, 2020
4EWS
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BU of 4ews by Molmil
Crystal structure of cholesteryl ester transfer protein in complex with inhibitors
分子名称: 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CETP, CHLORIDE ION, ...
著者Liu, S, Qiu, X.
登録日2012-04-27
公開日2012-09-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of cholesteryl ester transfer protein in complex with inhibitors.
J.Biol.Chem., 287, 2012
5WBO
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BU of 5wbo by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
5WBZ
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BU of 5wbz by Molmil
Structure of human Ketohexokinase complexed with hits from fragment screening
分子名称: 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
著者Pandit, J.
登録日2017-06-29
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
7WVP
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BU of 7wvp by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein with human ACE2 receptor, C2 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-02-10
公開日2022-04-06
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7WVQ
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BU of 7wvq by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein with human ACE2 receptor, C3 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-02-10
公開日2022-04-06
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron.
Nature, 604, 2022
7YLX
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BU of 7ylx by Molmil
yeast TRiC-plp2-actin complex at S4 closed TRiC state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Han, W.Y.
登録日2022-07-27
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7YLY
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BU of 7yly by Molmil
yeast TRiC-plp2 complex at S5 closed TRiC state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Han, W.Y.
登録日2022-07-27
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7YLU
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BU of 7ylu by Molmil
yeast TRiC-plp2-substrate complex at S1 TRiC-NPP state
分子名称: Phosducin-like protein 2, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
著者Han, W.Y.
登録日2022-07-27
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7YLW
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BU of 7ylw by Molmil
yeast TRiC-plp2-tubulin complex at S3 closed TRiC state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Han, W.Y.
登録日2022-07-27
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7YLV
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BU of 7ylv by Molmil
yeast TRiC-plp2-substrate complex at S2 ATP binding state
分子名称: Phosducin-like protein 2, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ...
著者Han, W.Y.
登録日2022-07-27
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.91 Å)
主引用文献Structural basis of plp2-mediated cytoskeletal protein folding by TRiC/CCT.
Sci Adv, 9, 2023
7WK6
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BU of 7wk6 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein with human ACE2 (focus refinement on RBD-1/ACE2)
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron
Nature, 604, 2022
7WK5
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BU of 7wk5 by Molmil
Cryo-EM structure of Omicron S-ACE2, C2 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Molecular basis of SARS-CoV-2 Omicron variant receptor engagement and antibody evasion and neutralization
Biorxiv, 2022
7WK4
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BU of 7wk4 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron spike protein with ACE2, C1 state
分子名称: Angiotensin-converting enzyme 2, Spike glycoprotein
著者Han, W.Y, Wang, Y.F.
登録日2022-01-08
公開日2022-02-02
最終更新日2022-05-04
実験手法ELECTRON MICROSCOPY (3.69 Å)
主引用文献Molecular basis of receptor binding and antibody neutralization of Omicron
Nature, 604, 2022
7V6Z
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BU of 7v6z by Molmil
Cryo-EM structure of Patched1 (V1084A mutant) in lipid nanodisc, 3.64 angstrom (reprocessed with the dataset of 7dzp)
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, CHOLESTEROL, ...
著者Luo, Y, Zhao, Y, Qu, Q, Li, D.
登録日2021-08-20
公開日2021-09-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.64 Å)
主引用文献Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7V6Y
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BU of 7v6y by Molmil
Cryo-EM structure of Patched in lipid nanodisc - the wildtype, 3.5 angstrom (re-processed with dataset of 7dzq)
分子名称: (2S)-2-azanyl-3-[[(2S)-3-butanoyloxy-2-dec-9-enoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 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Luo, Y, Zhao, Y, Qu, Q, Li, D.
登録日2021-08-20
公開日2021-09-22
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM study of patched in lipid nanodisc suggests a structural basis for its clustering in caveolae.
Structure, 29, 2021
7D2S
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BU of 7d2s by Molmil
Crystal structure of Rsu1/PINCH1_LIM5C complex
分子名称: GLYCEROL, LIM and senescent cell antigen-like-containing domain protein 1, Ras suppressor protein 1, ...
著者Yang, H, Wei, Z, Cong, Y.
登録日2020-09-17
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Complex structures of Rsu1 and PINCH1 reveal a regulatory mechanism of the ILK/PINCH/Parvin complex for F-actin dynamics.
Elife, 10, 2021
7D2U
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BU of 7d2u by Molmil
Crystal structure of Rsu1/PINCH1_LIM45C complex
分子名称: GLYCEROL, LIM and senescent cell antigen-like-containing domain protein 1, MALONATE ION, ...
著者Yang, H, Wei, Z, Cong, Y.
登録日2020-09-17
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Complex structures of Rsu1 and PINCH1 reveal a regulatory mechanism of the ILK/PINCH/Parvin complex for F-actin dynamics.
Elife, 10, 2021
8IVZ
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BU of 8ivz by Molmil
Crystal structure of talin R7 in complex with KANK1 KN motif
分子名称: KN motif and ankyrin repeat domains 1, Talin-1
著者Xu, Y, Li, K, Wei, Z, Cong, Y.
登録日2023-03-29
公開日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
7Y68
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BU of 7y68 by Molmil
SIDT2-pH5.5 plus miRNA
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, SID1 transmembrane family member 2, ...
著者Gong, D.S.
登録日2022-06-18
公開日2023-06-21
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural insight into the human SID1 transmembrane family member 2 reveals its lipid hydrolytic activity.
Nat Commun, 14, 2023

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