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7WP8
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BU of 7wp8 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK1628x in complex with three neutralizing antibodies
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, 2B4 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-08
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
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, 36H6 heavy chain, ...
著者Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
登録日2022-01-23
公開日2023-03-01
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (3.81 Å)
主引用文献Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
4LYN
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BU of 4lyn by Molmil
Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide
分子名称: (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide, Cyclin-dependent kinase 2
著者Sack, J.S.
登録日2013-07-31
公開日2013-10-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-Ray Crystallographic Analysis, and Biological Activities
J.Med.Chem., 45, 2002
4CIN
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BU of 4cin by Molmil
Complex of Bcl-xL with its BH3 domain
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BCL-2-LIKE PROTEIN 1, ...
著者Colman, P.M, Lee, E.F, Fairlie, W.D.
登録日2013-12-12
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
4CIM
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BU of 4cim by Molmil
Complex of a Bcl-w BH3 mutant with a BH3 domain
分子名称: 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2
著者Colman, P.M, Lee, E.F, Fairlie, W.D.
登録日2013-12-12
公開日2014-11-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains
J.Biol.Chem., 289, 2014
4HVL
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BU of 4hvl by Molmil
Structure of a serine protease MycP1, an essential component of the type VII (ESX-1) secretion system
分子名称: ACETATE ION, CHLORIDE ION, IMIDAZOLE, ...
著者Korotkov, K.V, Evans, T.J.
登録日2012-11-06
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Understanding specificity of the mycosin proteases in ESX/type VII secretion by structural and functional analysis.
J.Struct.Biol., 184, 2013
2QZK
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BU of 2qzk by Molmil
Crystal structure of human Beta Secretase complexed with I21
分子名称: 2-[(5R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa-1(21),7(22),8,10,12,14,17,19-octaen-19-yl]benzonitrile, Beta-secretase 1
著者Munshi, S.
登録日2007-08-16
公開日2008-04-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
6KDY
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BU of 6kdy by Molmil
Crystal structure of the alpha bata heterodimer of human IDH3 in complex with NAD.
分子名称: 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL, HEXAETHYLENE GLYCOL, Isocitrate dehydrogenase [NAD] subunit alpha, ...
著者Sun, P, Ding, J.
登録日2019-07-03
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Molecular basis for the function of the alpha beta heterodimer of human NAD-dependent isocitrate dehydrogenase.
J.Biol.Chem., 294, 2019
6BNT
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BU of 6bnt by Molmil
Crystal structure of AP2 mu1 adaptin C-terminal domain with IRS-1 peptide
分子名称: AP-2 complex subunit mu, Insulin receptor substrate 1
著者Kikuchi, S, Choi, E, Yu, H.
登録日2017-11-17
公開日2018-11-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mitotic regulators and the SHP2-MAPK pathway promote IR endocytosis and feedback regulation of insulin signaling.
Nat Commun, 10, 2019
6ASY
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BU of 6asy by Molmil
BiP-ATP2
分子名称: 78 kDa glucose-regulated protein, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Liu, Q, Yang, J, Zong, Y, Columbus, L, Zhou, L.
登録日2017-08-26
公開日2017-12-06
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Conformation transitions of the polypeptide-binding pocket support an active substrate release from Hsp70s.
Nat Commun, 8, 2017
8G5H
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BU of 8g5h by Molmil
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
著者Sun, C, Gouaux, E.
登録日2023-02-13
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8FOI
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BU of 8foi by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
著者Sun, C, Gouaux, E.
登録日2022-12-30
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G4O
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BU of 8g4o by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with didesethylflurazepam and endogenous GABA
分子名称: (5M)-1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ...
著者Sun, C, Gouaux, E.
登録日2023-02-10
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (3.06 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G4N
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BU of 8g4n by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroids
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
著者Sun, C, Gouaux, E.
登録日2023-02-10
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5F
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BU of 8g5f by Molmil
Native GABA-A receptor from the mouse brain, ortho-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
著者Sun, C, Gouaux, E.
登録日2023-02-13
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G5G
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BU of 8g5g by Molmil
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA, Zolpidem, and endogenous neurosteroid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, Gamma-aminobutyric acid receptor subunit alpha-1, ...
著者Sun, C, Gouaux, E.
登録日2023-02-13
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G4X
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BU of 8g4x by Molmil
Native GABA-A receptor from the mouse brain, meta-alpha1-alpha3-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
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Sun, C, Gouaux, E.
登録日2023-02-10
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.56 Å)
主引用文献Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
分子名称: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
著者Judge, R.A, Petros, A.M.
登録日2016-09-21
公開日2016-12-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
6Y06
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BU of 6y06 by Molmil
Moevan: a designed granulopoietic protein by topological rescaffolding
分子名称: Moevan
著者ElGamacy, M, Coles, M.
登録日2020-02-06
公開日2020-03-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Design of novel granulopoietic proteins by topological rescaffolding.
Plos Biol., 18, 2020
6Y07
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BU of 6y07 by Molmil
Designing a Granulopoietic Protein by Topological Rescaffolding 1: Sohair
分子名称: sohair
著者ElGamacy, M, Coles, M.
登録日2020-02-06
公開日2020-03-18
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Design of novel granulopoietic proteins by topological rescaffolding.
Plos Biol., 18, 2020
5W3D
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BU of 5w3d by Molmil
The structure of kinesin-14 wild-type Ncd-ADP dimer
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Protein claret segregational
著者Park, H.W, Ma, Z, Chacko, J, Jiang, S.M, Robinson, R.C, Endow, S.A.
登録日2017-06-07
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis of small molecule ATPase inhibition of a human mitotic kinesin motor protein.
Sci Rep, 7, 2017
5W8J
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BU of 5w8j by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29
分子名称: 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Lukacs, C.M, Moulin, A.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8K
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BU of 5w8k by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 29 and NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-(3,4-difluorophenyl)-5-hydroxy-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, GLYCEROL, ...
著者Lukacs, C.M, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
5W8I
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BU of 5w8i by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 23 and Zinc
分子名称: 2-[3-(3,4-difluorophenyl)-5-hydroxy-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Lukacs, C.M, Abendroth, J.
登録日2017-06-21
公開日2018-01-17
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
7TO4
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BU of 7to4 by Molmil
Structural and functional impact by SARS-CoV-2 Omicron spike mutations
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Zhang, J, Xiao, T.S, Cai, Y.F, Peng, H.Q, Volloch, S.R, Chen, B.
登録日2022-01-22
公開日2022-02-16
最終更新日2022-05-11
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural and functional impact by SARS-CoV-2 Omicron spike mutations.
Cell Rep, 39, 2022

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