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Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称:	1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者	Watson, P.R, Christianson, D.W.
登録日	2020-05-01
公開日	2021-04-28
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

6WHZ

Histone deacetylases complex with peptide macrocycles
分子名称:	Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

6WI3

Histone deacetylases complex with peptide macrocycles
分子名称:	(SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ...
著者	Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D.
登録日	2020-04-08
公開日	2021-04-21
最終更新日	2023-11-15
実験手法	X-RAY DIFFRACTION (2.35 Å)
主引用文献	Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021

7XR5

Crystal structure of imine reductase with NAPDH from Streptomyces albidoflavus
分子名称:	3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 6-phosphogluconate dehydrogenase NAD-binding, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者	Zhang, J, Chen, R.C, Gao, S.S.
登録日	2022-05-09
公開日	2022-10-19
最終更新日	2024-05-01
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Actinomycetes-derived imine reductases with a preference towards bulky amine substrates. Commun Chem, 5, 2022

3EZX

Structure of Methanosarcina barkeri monomethylamine corrinoid protein
分子名称:	5-HYDROXYBENZIMIDAZOLYLCOBAMIDE, MAGNESIUM ION, Monomethylamine corrinoid protein 1
著者	Jain, R.
登録日	2008-10-23
公開日	2009-12-15
最終更新日	2023-12-27
実験手法	X-RAY DIFFRACTION (2.56 Å)
主引用文献	Structure of Methanosarcina barkeri monomethylamine corrinoid protein TO BE PUBLISHED

3CQ0

Crystal Structure of TAL2_YEAST
分子名称:	1,2-ETHANEDIOL, GLYCEROL, Putative transaldolase YGR043C, ...
著者	Huang, H, Niu, L, Teng, M.
登録日	2008-04-01
公開日	2009-04-07
最終更新日	2023-11-01
実験手法	X-RAY DIFFRACTION (1.9 Å)
主引用文献	The crystal structure and identification of NQM1/YGR043C, a transaldolase from Saccharomyces cerevisiae Proteins, 73, 2008

8HLP

Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 (apo)
分子名称:	1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者	Wei, Y, Yu, Z, Zhao, Y.
登録日	2022-11-30
公開日	2024-04-24
実験手法	ELECTRON MICROSCOPY (3.5 Å)
主引用文献	Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Nat Commun, 15, 2024

8HMB

Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with benidipine (BEN)
分子名称:	(3R)-1-benzylpiperidin-3-yl methyl (2R,3R,4R,5R,6S)-2,6-dimethyl-4-(3-nitrophenyl)piperidine-3,5-dicarboxylate, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者	Wei, Y, Yu, Z, Zhao, Y.
登録日	2022-12-02
公開日	2024-04-24
実験手法	ELECTRON MICROSCOPY (3.3 Å)
主引用文献	Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Nat Commun, 15, 2024

8HMA

Cryo-EM structure of human high-voltage activated L-type calcium channel CaV1.2 in complex with tetrandrine (TET)
分子名称:	1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6,6',7,12-tetramethoxy-2,2'-dimethyl-1beta-3,4-didehydroberbaman, ...
著者	Wei, Y, Yu, Z, Zhao, Y.
登録日	2022-12-02
公開日	2024-04-24
実験手法	ELECTRON MICROSCOPY (3.4 Å)
主引用文献	Structural bases of inhibitory mechanism of Ca V 1.2 channel inhibitors. Nat Commun, 15, 2024

7E7X

SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
分子名称:	N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
著者	Zhang, Z, Shuo, D, Xiao, J.
登録日	2021-02-28
公開日	2021-06-09
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.78 Å)
主引用文献	Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021

7E7Y

Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
分子名称:	BD-623 Fab H, BD-623 Fab L, Spike protein S1
著者	Wei, Y, Xiao, J.
登録日	2021-02-28
公開日	2021-06-09
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (2.41 Å)
主引用文献	Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021

7E8C

SARS-CoV-2 S-6P in complex with 9 Fabs
分子名称:	368-2 H, 368-2 L, 604 H, ...
著者	Du, S, Xiao, J, Zhang, Z.
登録日	2021-03-01
公開日	2021-06-09
最終更新日	2021-07-14
実験手法	ELECTRON MICROSCOPY (3.16 Å)
主引用文献	Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021

7E88

Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
分子名称:	BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
著者	Gao, C, Wei, Y, Xiao, J.
登録日	2021-03-01
公開日	2021-06-09
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (3.14 Å)
主引用文献	Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021

7E8F

SARS-CoV-2 NTD in complex with N9 Fab
分子名称:	368-2 H, 368-2 L, 604 H, ...
著者	Du, S, Xiao, J, Zhang, Z.
登録日	2021-03-01
公開日	2021-06-09
最終更新日	2021-07-14
実験手法	ELECTRON MICROSCOPY (3.18 Å)
主引用文献	Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021

7E86

Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
分子名称:	BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
著者	Gao, C, Xiao, J.
登録日	2021-03-01
公開日	2021-06-09
最終更新日	2023-11-29
実験手法	X-RAY DIFFRACTION (2.9 Å)
主引用文献	Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines. Cell Res., 31, 2021

8HR2

Ternary Crystal Complex Structure of RBD with NB1B5 and NB1C6
分子名称:	NB1B5, NB1C6, Spike protein S1
著者	Sun, Z.
登録日	2022-12-14
公開日	2023-08-16
実験手法	X-RAY DIFFRACTION (1.94 Å)
主引用文献	Structure basis of two nanobodies neutralizing SARS-CoV-2 Omicron variant by targeting ultra-conservative epitopes. J.Struct.Biol., 215, 2023

8PO0

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 12 bound to EGFRinsNPG
分子名称:	1-[3-[7-methoxy-4-[3-(3-methoxyphenyl)-1~{H}-pyrazol-4-yl]quinazolin-6-yl]oxyazetidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者	Hargreaves, D.
登録日	2023-07-03
公開日	2024-06-05
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.523 Å)
主引用文献	Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024

8PO1

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
分子名称:	2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
著者	Hargreaves, D.
登録日	2023-07-03
公開日	2024-06-05
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.11 Å)
主引用文献	Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024

8PO4

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
分子名称:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
著者	Hargreaves, D.
登録日	2023-07-03
公開日	2024-06-05
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (1.621 Å)
主引用文献	Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024

8PO3

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R]
分子名称:	2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor
著者	Hargreaves, D.
登録日	2023-07-03
公開日	2024-06-05
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.13 Å)
主引用文献	Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024

8PO2

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
分子名称:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
著者	Hargreaves, D.
登録日	2023-07-03
公開日	2024-06-05
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.28 Å)
主引用文献	Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024

8PNZ

Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
分子名称:	1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
著者	Hargreaves, D.
登録日	2023-07-03
公開日	2024-06-05
最終更新日	2024-06-19
実験手法	X-RAY DIFFRACTION (2.51 Å)
主引用文献	Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024

3FW5

Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol
分子名称:	4-METHYLCATECHOL, CHLORIDE ION, FE (III) ION, ...
著者	Clifton, M.C, Strong, R.K.
登録日	2009-01-16
公開日	2010-05-05
最終更新日	2024-10-09
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex. Nat.Chem.Biol., 6, 2010

3FW4

Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol
分子名称:	CATECHOL, CHLORIDE ION, FE (III) ION, ...
著者	Clifton, M.C, Strong, R.K.
登録日	2009-01-16
公開日	2010-05-05
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.3 Å)
主引用文献	Iron traffics in circulation bound to a siderocalin (Ngal)-catechol complex. Nat.Chem.Biol., 6, 2010

7KGB

CryoEM structure of A2296-methylated Mycobacterium tuberculosis ribosome bound with SEQ-9
分子名称:	16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者	Cui, Z, Zhang, J.
登録日	2020-10-16
公開日	2022-01-19
最終更新日	2024-05-29
実験手法	ELECTRON MICROSCOPY (2.7 Å)
主引用文献	Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents. Cell, 2023

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