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Zika virus helicase in complex with ADP-AlF3
分子名称:	ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Helicase domain from Genome polyprotein, ...
著者	Yang, X.Y, Chen, C, Tian, H.L, Chi, H, Mu, Z.Y, Zhang, T.Q, Yang, K.L, Zhao, Q, Liu, X.H, Wang, Z.F, Ji, X.Y, Yang, H.T.
登録日	2017-08-12
公開日	2018-07-04
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.002 Å)
主引用文献	Mechanism of ATP hydrolysis by the Zika virus helicase. FASEB J., 32, 2018

8H3G

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
分子名称:	3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
著者	Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日	2022-10-08
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.46 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H6I

The crystal structure of SARS-CoV-2 3C-like protease Double Mutant (L50F and E166V) in complex with a traditional Chinese Medicine Inhibitors
分子名称:	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-17
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H7K

SARS-CoV-2 Mpro Double Mutant (H41A and T21I) in complex with nsp4/5 peptidyl substrate
分子名称:	3C-like proteinase nsp5, nsp4/5 peptidyl substrate
著者	Lin, M, Liu, X.
登録日	2022-10-20
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H3L

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
分子名称:	3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者	Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日	2022-10-08
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H5F

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) L167F Mutant in Complex with Inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-13
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.79 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H51

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-11
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.18 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H5P

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-13
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.67 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H6N

Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-18
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H7W

Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (S144A) in complex with protease inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-21
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H57

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) A193P Mutant in Complex with Inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-12
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.55 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H82

Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (E166V) in complex with protease inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-21
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.93 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H3K

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
分子名称:	3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ...
著者	Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
登録日	2022-10-08
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8HBK

The crystal structure of SARS-CoV-2 3CL protease in complex with Ensitrelvir
分子名称:	3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
著者	Lin, M.
登録日	2022-10-29
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (1.8 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

8H4Y

Crystal Structure of SARS-CoV-2 Main Protease (Mpro) F140L Mutant in Complex with Inhibitor Nirmatrelvir
分子名称:	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者	Lin, M, Liu, X.
登録日	2022-10-11
公開日	2023-10-11
最終更新日	2023-10-25
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir. Nature, 622, 2023

1RCK

THE THREE DIMENSIONAL STRUCTURE OF GUANINE-SPECIFIC RIBONUCLEASE F1 IN SOLUTION DETERMINED BY NMR SPECTROSCOPY AND DISTANCE GEOMETRY
分子名称:	RIBONUCLEASE F1
著者	Nakai, T, Yoshikawa, W, Nakamura, H, Yoshida, H.
登録日	1994-08-08
公開日	1994-11-30
最終更新日	2019-12-25
実験手法	SOLUTION NMR
主引用文献	The three-dimensional structure of guanine-specific ribonuclease F1 in solution determined by NMR spectroscopy and distance geometry. Eur.J.Biochem., 208, 1992

1RCL

THE THREE DIMENSIONAL STRUCTURE OF GUANINE-SPECIFIC RIBONUCLEASE F1 IN SOLUTION DETERMINED BY NMR SPECTROSCOPY AND DISTANCE GEOMETRY
分子名称:	RIBONUCLEASE F1
著者	Nakai, T, Yoshikawa, W, Nakamura, H, Yoshida, H.
登録日	1994-08-08
公開日	1994-11-30
最終更新日	2019-12-25
実験手法	SOLUTION NMR
主引用文献	The three-dimensional structure of guanine-specific ribonuclease F1 in solution determined by NMR spectroscopy and distance geometry. Eur.J.Biochem., 208, 1992

5GIX

Human serum albumin-Palmitic acid-Fe(Hn3piT)Cl2
分子名称:	14-piperidin-1-yl-11-oxa-13$l^{3}-thia-15,16$l^{4}-diaza-12$l^{3}-ferratetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(10),2(7),3,5,8,13,16-heptaene, PALMITIC ACID, Serum albumin
著者	Yang, F, Qi, J, Wang, T.
登録日	2016-06-25
公開日	2017-07-19
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.801 Å)
主引用文献	Developing Anticancer Ferric Prodrugs Based on the N-Donor Residues of Human Serum Albumin Carrier IIA Subdomain J. Med. Chem., 59, 2016

2XP2

Structure of the Human Anaplastic Lymphoma Kinase in Complex with Crizotinib (PF-02341066)
分子名称:	3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR
著者	McTigue, M, Deng, Y, Liu, W, Brooun, A, Timofeevski, S, Marrone, T, Cui, J.J.
登録日	2010-08-24
公開日	2010-09-15
最終更新日	2023-12-20
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	Structure Based Drug Design of Crizotinib (Pf-02341066), a Potent and Selective Dual Inhibitor of Mesenchymal-Epithelial Transition Factor (C-met) Kinase and Anaplastic Lymphoma Kinase (Alk). J.Med.Chem, 54, 2011

6LU7

The crystal structure of COVID-19 main protease in complex with an inhibitor N3
分子名称:	3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
著者	Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
登録日	2020-01-26
公開日	2020-02-05
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.16 Å)
主引用文献	Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors. Nature, 582, 2020

1VAS

ATOMIC MODEL OF A PYRIMIDINE DIMER SPECIFIC EXCISION REPAIR ENZYME COMPLEXED WITH A DNA SUBSTRATE: STRUCTURAL BASIS FOR DAMAGED DNA RECOGNITION
分子名称:	DNA (5'-D(APTPCPGPCPGPTPTPGPCPGPCPT)-3'), DNA (5'-D(TPAPGPCPGPCPAPAPCPGPCPGPA)-3'), PROTEIN (T4 ENDONUCLEASE V (E.C.3.1.25.1))
著者	Vassylyev, D.G, Kashiwagi, T, Mikami, Y, Ariyoshi, M, Iwai, S, Ohtsuka, E, Morikawa, K.
登録日	1995-09-08
公開日	1996-01-31
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2.75 Å)
主引用文献	Atomic model of a pyrimidine dimer excision repair enzyme complexed with a DNA substrate: structural basis for damaged DNA recognition. Cell(Cambridge,Mass.), 83, 1995

1IQP

Crystal Structure of the Clamp Loader Small Subunit from Pyrococcus furiosus
分子名称:	ADENOSINE-5'-DIPHOSPHATE, RFCS
著者	Oyama, T, Ishino, Y, Cann, I.K.O, Ishino, S, Morikawa, K.
登録日	2001-07-24
公開日	2001-09-19
最終更新日	2023-12-27
実験手法	X-RAY DIFFRACTION (2.8 Å)
主引用文献	Atomic Structure of the Clamp Loader Small Subunit from Pyrococcus furiosus Mol.Cell, 8, 2001

3A2F

Crystal Structure of Pyrococcus furiosus DNA polymerase/PCNA monomer mutant complex
分子名称:	DNA polymerase, DNA polymerase sliding clamp
著者	Nishida, H, Ishino, Y, Morikawa, K.
登録日	2009-05-15
公開日	2009-11-03
最終更新日	2021-11-10
実験手法	X-RAY DIFFRACTION (2.67 Å)
主引用文献	Structural determinant for switching between the polymerase and exonuclease modes in the PCNA-replicative DNA polymerase complex To be Published

4N75

Structural Basis of BamA-mediate Outer Membrane Protein Biogenesis
分子名称:	Outer membrane protein assembly factor BamA
著者	Ni, D.C.
登録日	2013-10-14
公開日	2014-04-16
最終更新日	2023-11-08
実験手法	X-RAY DIFFRACTION (2.604 Å)
主引用文献	Structural and functional analysis of the beta-barrel domain of BamA from Escherichia coli. Faseb J., 28, 2014

2H2Z

Crystal structure of SARS-CoV main protease with authentic N and C-termini
分子名称:	Replicase polyprotein 1ab
著者	Yang, H, Xue, X, Shen, W, Zhao, Q, Rao, Z.
登録日	2006-05-20
公開日	2007-04-03
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction J.Mol.Biol., 366, 2007

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