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Crystal Structure of the Escherichia coli LpxC/LPC-009 complex
分子名称:	4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, N-[(1S,2R)-2-hydroxy-1-(hydroxycarbamoyl)propyl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide, ...
著者	Lee, C.-J, Zhou, P.
登録日	2010-10-04
公開日	2011-01-05
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Species-specific and inhibitor-dependent conformations of LpxC: implications for antibiotic design. Chem.Biol., 18, 2011

3PS1

Crystal structure of the Escherichia Coli LPXC/LPC-011 complex
分子名称:	4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide, DIMETHYL SULFOXIDE, ...
著者	Lee, C.-J, Zhou, P.
登録日	2010-11-30
公開日	2011-01-19
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold. Bioorg.Med.Chem., 19, 2011

5ZYT

Crystal structure of human MGME1 with 3' overhang double strand DNA3
分子名称:	DNA (5'-D(PCPTPTPCPTPTPCPC)-3'), Mitochondrial genome maintenance exonuclease 1
著者	Yang, C, Gan, J.
登録日	2018-05-28
公開日	2018-09-19
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (2.702 Å)
主引用文献	Structural insights into DNA degradation by human mitochondrial nuclease MGME1 Nucleic Acids Res., 46, 2018

6A0Q

The crystal structure of Lpg2622_E64 complex
分子名称:	Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
著者	Gong, X, Ge, H.
登録日	2018-06-06
公開日	2018-09-12
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila FEBS Lett., 592, 2018

5ZYU

The crystal structure of humanMGME1 with single strand DNA2
分子名称:	DNA (5'-D(PCPAPAPCPAPAPCPA)-3'), GLYCEROL, Mitochondrial genome maintenance exonuclease 1
著者	Yang, C, Gan, J.
登録日	2018-05-28
公開日	2018-09-19
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (1.752 Å)
主引用文献	Structural insights into DNA degradation by human mitochondrial nuclease MGME1 Nucleic Acids Res., 46, 2018

5ZYV

Crystal structure of human MGME1 with single strand DNA2 and Ca2+
分子名称:	ACETATE ION, CALCIUM ION, DNA (5'-D(PCPAPAPCPAPAP*T)-3'), ...
著者	Yang, C, Gan, J.
登録日	2018-05-28
公開日	2018-09-19
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.72 Å)
主引用文献	Structural insights into DNA degradation by human mitochondrial nuclease MGME1 Nucleic Acids Res., 46, 2018

6A0N

The crystal structure of apo-Lpg2622
分子名称:	Lpg2622
著者	Gong, X, Ge, H.
登録日	2018-06-05
公開日	2018-09-12
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila FEBS Lett., 592, 2018

5ZYW

The crystal structure of apo-HsMGME1 with Mn2+
分子名称:	GLYCEROL, L(+)-TARTARIC ACID, MANGANESE (II) ION, ...
著者	Yang, C, Gan, J.
登録日	2018-05-28
公開日	2018-09-19
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.2 Å)
主引用文献	Structural insights into DNA degradation by human mitochondrial nuclease MGME1 Nucleic Acids Res., 46, 2018

7E3O

Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
分子名称:	Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
著者	Chen, S.D, Yang, M.
登録日	2021-02-09
公開日	2021-09-15
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.51 Å)
主引用文献	Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain. Microbiol Spectr, 9, 2021

7DTZ

FGFR4 complex with a covalent inhibitor
分子名称:	Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION
著者	Chen, X.J, Dai, S.Y, Chen, Y.H.
登録日	2021-01-07
公開日	2021-04-14
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.01 Å)
主引用文献	Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors. Acs Med.Chem.Lett., 12, 2021

7VYO

The structure of GdmN
分子名称:	1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者	Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
登録日	2021-11-14
公開日	2022-11-16
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.25 Å)
主引用文献	Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies. Nat Commun, 13, 2022

3HSZ

Crystal structure of E. coli HPPK(F123A)
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CHLORIDE ION, ...
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-06-11
公開日	2010-06-23
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.4 Å)
主引用文献	Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published

3HSJ

Crystal structure of E. coli HPPK(N55A)
分子名称:	ACETATE ION, GLYCEROL, HPPK
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-06-10
公開日	2010-06-23
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.18 Å)
主引用文献	Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK To be Published

3HSD

Crystal structure of E. coli HPPK(Y53A)
分子名称:	CHLORIDE ION, GLYCEROL, HPPK, ...
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-06-10
公開日	2010-06-23
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.652 Å)
主引用文献	Pterin-binding site mutation Y53A, N55A or F123A and activity of E. coli HPPK. To be Published

6IP0

Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with AKG
分子名称:	2-OXOGLUTARIC ACID, NICKEL (II) ION, SULFATE ION, ...
著者	Hu, H, Du, J.
登録日	2018-11-01
公開日	2019-04-10
最終更新日	2024-03-27
実験手法	X-RAY DIFFRACTION (2.4 Å)
主引用文献	The Arabidopsis H3K27me3 demethylase JUMONJI 13 is a temperature and photoperiod dependent flowering repressor. Nat Commun, 10, 2019

6IP4

Crystal structure of Arabidopsis thaliana JMJ13 catalytic domain in complex with NOG and an H3K27me3 peptide
分子名称:	Arabidopsis JMJ13, Histone H3.2, N-OXALYLGLYCINE, ...
著者	Hu, H, Du, J.
登録日	2018-11-02
公開日	2019-04-10
最終更新日	2023-11-22
実験手法	X-RAY DIFFRACTION (2.6 Å)
主引用文献	The Arabidopsis H3K27me3 demethylase JUMONJI 13 is a temperature and photoperiod dependent flowering repressor. Nat Commun, 10, 2019

3ILL

Crystal structure of E. coli HPPK(D97A)
分子名称:	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-08-07
公開日	2010-08-11
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.73 Å)
主引用文献	Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published

3ILI

Crystal structure of E. coli HPPK(D95A)
分子名称:	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, ...
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-08-07
公開日	2010-08-11
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.45 Å)
主引用文献	Structural and functional roles of residues D95 and D97 in E. coli HPPK To be Published

8W9B

CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
分子名称:	1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者	Huang, X, Ren, X, Zhong, W.
登録日	2023-09-05
公開日	2024-04-17
最終更新日	2024-05-08
実験手法	ELECTRON MICROSCOPY (3 Å)
主引用文献	Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024

8W9A

CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
分子名称:	6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者	Huang, X, Ren, X, Zhong, W.
登録日	2023-09-05
公開日	2024-04-17
最終更新日	2024-05-08
実験手法	ELECTRON MICROSCOPY (2.7 Å)
主引用文献	Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop. Structure, 2024

6JIJ

The Crystal Structure of Main Protease from Mouse Hepatitis Virus A59 in Complex with an inhibitor
分子名称:	02J-ALA-VAL-LEU-PJE-010, Replicative polyprotein 1ab
著者	Cui, W, Cui, S.S.
登録日	2019-02-21
公開日	2019-04-24
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.65 Å)
主引用文献	The crystal structure of main protease from mouse hepatitis virus A59 in complex with an inhibitor. Biochem. Biophys. Res. Commun., 511, 2019

3K1R

Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans
分子名称:	Harmonin, Usher syndrome type-1G protein
著者	Pan, L, Yan, J, Zhang, M.
登録日	2009-09-28
公開日	2010-01-26
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	The structure of the harmonin/sans complex reveals an unexpected interaction mode of the two Usher syndrome proteins Proc.Natl.Acad.Sci.USA, 107, 2010

3KUG

Crystal structure of E. coli HPPK(H115A)
分子名称:	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-11-27
公開日	2010-11-24
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.996 Å)
主引用文献	Roles of residues E77 and H115 in E. coli HPPK To be Published

3KUE

Crystal structure of E. coli HPPK(E77A)
分子名称:	2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION
著者	Blaszczyk, J, Li, Y, Yan, H, Ji, X.
登録日	2009-11-27
公開日	2010-11-24
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.538 Å)
主引用文献	Roles of residues E77 and H115 in E. coli HPPK To be Published

3L59

Structure of BACE Bound to SCH710413
分子名称:	(2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
著者	Strickland, C, Zhu, Z.
登録日	2009-12-21
公開日	2010-02-16
最終更新日	2018-01-24
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation J.Med.Chem., 53, 2010

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