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SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in the class 1 conformation
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, Spike glycoprotein, ...
著者	Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日	2022-09-27
公開日	2023-04-12
最終更新日	2024-05-08
実験手法	ELECTRON MICROSCOPY (3.41 Å)
主引用文献	Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023

8H01

SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab in class 2 conformation
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, Spike glycoprotein, ...
著者	Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日	2022-09-27
公開日	2023-04-12
最終更新日	2024-05-08
実験手法	ELECTRON MICROSCOPY (3.7 Å)
主引用文献	Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023

8GZZ

Local refinement of SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 Fab
分子名称:	Spike protein S1, rabbit monoclonal antibody 1H1 Fab heavy chain, rabbit monoclonal antibody 1H1 Fab light chain
著者	Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日	2022-09-27
公開日	2023-04-12
最終更新日	2024-05-08
実験手法	ELECTRON MICROSCOPY (3.52 Å)
主引用文献	Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023

8HED

Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab
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, Spike protein S1, ...
著者	Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日	2022-11-08
公開日	2023-04-26
実験手法	ELECTRON MICROSCOPY (3.59 Å)
主引用文献	Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023

8HEB

SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation
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, Spike glycoprotein, ...
著者	Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日	2022-11-08
公開日	2023-04-26
実験手法	ELECTRON MICROSCOPY (3.53 Å)
主引用文献	Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023

8HEC

SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation
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, Spike glycoprotein, ...
著者	Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日	2022-11-08
公開日	2023-04-26
実験手法	ELECTRON MICROSCOPY (3.5 Å)
主引用文献	Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2. Biochem.Biophys.Res.Commun., 660, 2023

6CEZ

Crystal Structure of Rabbit Anti-HIV-1 gp120 V2 Fab 16C2 in complex with V2 peptide ConB
分子名称:	HIV-1 gp120 V2 Peptide Con B, Heavy chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2, Light chain of Fab fragment of rabbit anti-HIV1 gp120 V2 mAb 16C2
著者	Kong, X, Pan, R.
登録日	2018-02-13
公開日	2018-09-12
最終更新日	2019-12-18
実験手法	X-RAY DIFFRACTION (2.399 Å)
主引用文献	Select gp120 V2 domain specific antibodies derived from HIV and SIV infection and vaccination inhibit gp120 binding to alpha 4 beta 7. PLoS Pathog., 14, 2018

6J2A

The structure of HLA-A*3003/NP44
分子名称:	Beta-2-microglobulin, HLA-A*3003, NP44
著者	Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
登録日	2018-12-31
公開日	2019-09-25
実験手法	X-RAY DIFFRACTION (1.4 Å)
主引用文献	*Divergent Peptide Presentations of HLA-A30 Alleles Revealed by Structures With Pathogen Peptides.** Front Immunol, 10, 2019

6J1W

The structure of HLA-A*3001/RT313
分子名称:	ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001
著者	Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日	2018-12-29
公開日	2019-09-25
実験手法	X-RAY DIFFRACTION (1.501 Å)
主引用文献	*Divergent Peptide Presentations of HLA-A30 Alleles Revealed by Structures With Pathogen Peptides.** Front Immunol, 10, 2019

6J29

The structure of HLA-A*3003/MTB
分子名称:	Beta-2-microglobulin, HLA-A*3003, MTB
著者	Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J.
登録日	2018-12-31
公開日	2019-09-25
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	*Divergent Peptide Presentations of HLA-A30 Alleles Revealed by Structures With Pathogen Peptides.** Front Immunol, 10, 2019

6J1V

The structure of HLA-A*3003/RT313
分子名称:	Beta-2-microglobulin, HLA-A*3003, RT313
著者	Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J.
登録日	2018-12-29
公開日	2019-09-25
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	*Divergent Peptide Presentations of HLA-A30 Alleles Revealed by Structures With Pathogen Peptides.** Front Immunol, 10, 2019

1TD9

Crystal Structure of a Phosphotransacetylase from Bacillus subtilis
分子名称:	Phosphate acetyltransferase, SULFATE ION
著者	Xu, Q.S, Jancarik, J, Yokota, H, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
登録日	2004-05-21
公開日	2004-12-07
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (2.75 Å)
主引用文献	Crystal structures of a phosphotransacetylase from Bacillus subtilis and its complex with acetyl phosphate J.STRUCT.FUNCT.GENOM., 6, 2005

2KV3

Human Regenerating Gene Type IV (REG IV) PROTEIN, P91S mutant
分子名称:	Regenerating islet-derived protein 4
著者	Ho, M, Lou, Y, Chen, C.
登録日	2010-03-04
公開日	2010-08-18
最終更新日	2021-11-10
実験手法	SOLUTION NMR
主引用文献	Human RegIV protein adopts a typical C-type lectin fold but binds mannan with two calcium-independent sites. J.Mol.Biol., 402, 2010

2HQB

Crystal Structure of a Transcriptional Activator of comK gene from Bacillus halodurans
分子名称:	Transcriptional activator of comK gene
著者	Xu, Q.S, Berkeley Structural Genomics Center (BSGC)
登録日	2006-07-18
公開日	2007-05-29
最終更新日	2011-07-13
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	Crystal structure of a transcriptional activator of comK gene from Bacillus halodurans. Proteins, 69, 2007

2HQL

Crystal structure of a small single-stranded DNA binding protein from Mycoplasma pneumoniae
分子名称:	Hypothetical protein MG376 homolog
著者	Das, D, Berkeley Structural Genomics Center (BSGC)
登録日	2006-07-18
公開日	2007-05-01
最終更新日	2024-02-14
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Crystal structure of a novel single-stranded DNA binding protein from Mycoplasma pneumoniae. Proteins, 67, 2007

2I6W

Crystal structure of the multidrug efflux transporter AcrB
分子名称:	Acriflavine resistance protein B
著者	Das, D, Xu, Q.S, Kim, S.H.
登録日	2006-08-29
公開日	2007-05-01
最終更新日	2024-02-21
実験手法	X-RAY DIFFRACTION (3.1 Å)
主引用文献	Crystal structure of the multidrug efflux transporter AcrB at 3.1A resolution reveals the N-terminal region with conserved amino acids. J.Struct.Biol., 158, 2007

4KJU

Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称:	E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者	Lukacs, C.M, Janson, C.A.
登録日	2013-05-03
公開日	2013-11-27
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.6 Å)
主引用文献	Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013

4KJV

Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称:	6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者	Lukacs, C.M, Janson, C.A.
登録日	2013-05-03
公開日	2013-11-27
最終更新日	2023-09-20
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain. J.Med.Chem., 56, 2013

3PIY

Crystal structure of BTK kinase domain complexed with R406
分子名称:	6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.55 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

3PIZ

Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone
分子名称:	Tyrosine-protein kinase BTK, [5-amino-1-(2-methylphenyl)-1H-pyrazol-4-yl]{3-[1-(methylsulfonyl)piperidin-4-yl]phenyl}methanone
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2.21 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

3PJ3

Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide
分子名称:	2-methyl-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-5-{[(2E)-3-phenylprop-2-enoyl]amino}benzamide, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

3PJ1

Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
分子名称:	3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (2 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

3PIX

Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one
分子名称:	7-(4-methylpiperazin-1-yl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(propan-2-yl)phthalazin-1(2H)-one, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.85 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

3PJ2

Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
分子名称:	2-({4-[2-(diethylamino)ethoxy]phenyl}amino)-6-(4-fluorophenoxy)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one, Tyrosine-protein kinase BTK
著者	Kuglstatter, A, Wong, A.
登録日	2010-11-08
公開日	2011-01-12
最終更新日	2023-09-06
実験手法	X-RAY DIFFRACTION (1.75 Å)
主引用文献	Insights into the conformational flexibility of Bruton's tyrosine kinase from multiple ligand complex structures. Protein Sci., 20, 2011

6N0Q

BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide.
分子名称:	N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf
著者	Mamo, M, Appleton, B.A.
登録日	2018-11-07
公開日	2019-10-23
最終更新日	2024-03-13
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020

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