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SARS-CoV-2 Omicron S-close
分子名称:	Spike glycoprotein
著者	Li, J.W, Cong, Y.
登録日	2022-01-08
公開日	2022-01-26
最終更新日	2022-05-04
実験手法	ELECTRON MICROSCOPY (3.1 Å)
主引用文献	Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022

7WKA

SARS-CoV-2 Omicron closed state spike protein in complex with S3H3 Fab
分子名称:	Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者	Hong, Q, Cong, Y.
登録日	2022-01-08
公開日	2022-01-26
最終更新日	2022-05-04
実験手法	ELECTRON MICROSCOPY (3.64 Å)
主引用文献	Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022

7WK9

SARS-CoV-2 Omicron open state spike protein in complex with S3H3 Fab
分子名称:	Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者	Hong, Q, Cong, Y.
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 (3.48 Å)
主引用文献	Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022

7WK8

SARS-CoV-2 Omicron spike protein SD1 in complex with S3H3 Fab
分子名称:	Heavy chain of S3H3 Fab, Light chain of S3H3 Fab, Spike glycoprotein
著者	Hong, Q, Cong, Y.
登録日	2022-01-08
公開日	2022-01-26
最終更新日	2022-05-04
実験手法	ELECTRON MICROSCOPY (3.61 Å)
主引用文献	Molecular basis of receptor binding and antibody neutralization of Omicron. Nature, 604, 2022

4HIQ

The Structure of V122I Mutant Transthyretin in Complex with AG10
分子名称:	3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoic acid, Transthyretin
著者	Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
登録日	2012-10-11
公開日	2013-06-05
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.18 Å)
主引用文献	AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013

4HIS

The Structure of V122I Mutant Transthyretin in Complex with Tafamidis
分子名称:	2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid, Transthyretin
著者	Connelly, S, Alhamadsheh, M, Graef, I, Wilson, I.A.
登録日	2012-10-11
公開日	2013-06-05
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.2 Å)
主引用文献	AG10 inhibits amyloidogenesis and cellular toxicity of the familial amyloid cardiomyopathy-associated V122I transthyretin. Proc.Natl.Acad.Sci.USA, 110, 2013

7JWG

OspA-Fab 221-7 complex structure
分子名称:	Antibody 221-7 Fab heavy chain, Antibody 221-7 Fab light chain, Outer surface protein A
著者	Rudolph, M.J.
登録日	2020-08-25
公開日	2021-09-08
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (3.05 Å)
主引用文献	Blocking Borrelia burgdorferi transmission from infected ticks to nonhuman primates with a human monoclonal antibody. J.Clin.Invest., 131, 2021

7DGB

The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-4-methyl-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pentanamide
分子名称:	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase
著者	Shang, L.Q, Wang, H.
登録日	2020-11-11
公開日	2021-11-24
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.678 Å)
主引用文献	The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022

7DGH

The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-2-naphthamide
分子名称:	3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide
著者	Shang, L.Q, Wang, H.
登録日	2020-11-11
公開日	2021-11-24
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.968 Å)
主引用文献	The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022

7DGF

The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)hexanamide
分子名称:	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者	Shang, L.Q, Wang, H.
登録日	2020-11-11
公開日	2021-11-24
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.639 Å)
主引用文献	The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022

7DGG

The co-crystal structure of SARS-CoV-2 main protease with (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)hexanamide
分子名称:	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide, 3C-like proteinase
著者	Shang, L.Q, Wang, H.
登録日	2020-11-11
公開日	2021-11-24
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.004 Å)
主引用文献	The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022

7DGI

The co-crystal structure of SARS-CoV-2 main protease with peptidomimetic inhibitor N-((S)-3-methyl-1-(((S)-4-methyl-1-oxo-1-(((S)-1-oxo-3-((S)-2-oxopiperidin-3-yl)propan-2-yl)amino)pentan-2-yl)amino)-1-oxobutan-2-yl)-4-nitrobenzamide
分子名称:	3C-like proteinase, ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide
著者	Shang, L.Q, Wang, H.
登録日	2020-11-11
公開日	2021-11-24
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (1.898 Å)
主引用文献	The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate. Eur.J.Med.Chem., 238, 2022

7V0E

Crystal structure of the macro-oligomeric form of DNMT3B methyltransferase domain.
分子名称:	DNA (cytosine-5)-methyltransferase 3B, S-ADENOSYL-L-HOMOCYSTEINE
著者	Gao, L, Lu, J, Song, J.
登録日	2022-05-10
公開日	2022-06-22
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (3.27016377 Å)
主引用文献	Structure of DNMT3B homo-oligomer reveals vulnerability to impairment by ICF mutations. Nat Commun, 13, 2022

2MVW

Solution structure of the TRIM19 B-box1 (B1) of human promyelocytic leukemia (PML)
分子名称:	Protein PML, ZINC ION
著者	Huang, S, Naik, M.T, Fan, P, Wang, Y, Chang, C, Huang, T.
登録日	2014-10-17
公開日	2014-11-12
最終更新日	2024-05-15
実験手法	SOLUTION NMR
主引用文献	The B-box 1 dimer of human promyelocytic leukemia protein. J.Biomol.Nmr, 60, 2014

5TWU

Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称:	Maternal embryonic leucine zipper kinase
著者	Li, Q, Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S, Eck, M.J.
登録日	2016-11-14
公開日	2017-11-22
最終更新日	2023-10-04
実験手法	X-RAY DIFFRACTION (2.603 Å)
主引用文献	MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017

8UPV

Structure of SARS-Cov2 3CLPro in complex with Compound 33
分子名称:	3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者	Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日	2023-10-23
公開日	2024-03-06
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.57 Å)
主引用文献	Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024

8UPS

Structure of SARS-Cov2 3CLPro in complex with Compound 5
分子名称:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
著者	Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
登録日	2023-10-23
公開日	2024-03-06
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (2.44 Å)
主引用文献	Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024

8UPW

Structure of SARS-Cov2 3CLPro in complex with Compound 34
分子名称:	3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者	Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日	2023-10-23
公開日	2024-03-06
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.44 Å)
主引用文献	Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024

8UTE

Structure of SARS-Cov2 3CLPro in complex with Compound 27
分子名称:	1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者	Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日	2023-10-31
公開日	2024-03-06
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. J.Med.Chem., 67, 2024

5TWL

Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称:	9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase
著者	Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S.
登録日	2016-11-14
公開日	2017-11-22
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.42 Å)
主引用文献	MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017

5TWZ

Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称:	7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
著者	Seo, H.-Y, Dhe-Paganon, S.
登録日	2016-11-15
公開日	2017-11-22
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.631 Å)
主引用文献	MELK is not necessary for the proliferation of basal-like breast cancer cells. Elife, 6, 2017

8WNG

Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile
分子名称:	ACETATE ION, GLYCEROL, ISOLEUCINE, ...
著者	Guo, Y, Li, S, Zhang, T.
登録日	2023-10-05
公開日	2024-02-14
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (1.92 Å)
主引用文献	Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase. Febs Lett., 598, 2024

3B8H

Structure of the eEF2-ExoA(E546A)-NAD+ complex
分子名称:	Elongation factor 2, Exotoxin A, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者	Jorgensen, R, Merrill, A.R.
登録日	2007-11-01
公開日	2008-06-17
最終更新日	2023-08-30
実験手法	X-RAY DIFFRACTION (2.5 Å)
主引用文献	The nature and character of the transition state for the ADP-ribosyltransferase reaction. Embo Rep., 9, 2008

7ECY

EV-D68 in complex with 2H12 Fab (State 3)
分子名称:	Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者	Xu, C, Cong, Y.
登録日	2021-03-13
公開日	2021-03-31
最終更新日	2021-06-02
実験手法	ELECTRON MICROSCOPY (3.6 Å)
主引用文献	Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections. Nat Commun, 12, 2021

7EBZ

EV-D68 in complex with 2H12 Fab (state S1)
分子名称:	Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ...
著者	Xu, C, Cong, Y.
登録日	2021-03-11
公開日	2021-03-31
最終更新日	2021-06-02
実験手法	ELECTRON MICROSCOPY (3.09 Å)
主引用文献	Functional and structural characterization of a two-MAb cocktail for delayed treatment of enterovirus D68 infections. Nat Commun, 12, 2021

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