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6J1V
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BU of 6j1v by Molmil
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-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
7EDO
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BU of 7edo by Molmil
First insight into marsupial MHC I peptide presentation: immune features of lower mammals paralleled with bats
分子名称: Beta-2-microglobulin, CYS-ASN-VAL-THR-LEU-ASN-TYR-PRO, MHC class I antigen
著者Wang, P.Y, Yue, C, Lu, D, Liu, K.F, Liu, S, Yao, S.J, Chai, Y, Qi, J.X, Lou, Y.L, Sun, Z.Y, Gao, G.F, Liu, W.J.
登録日2021-03-16
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Peptide Presentations of Marsupial MHC Class I Visualize Immune Features of Lower Mammals Paralleled with Bats.
J Immunol., 207, 2021
6N0Q
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BU of 6n0q by Molmil
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
6N0P
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BRAF in complex with N-(3-(2-(2-hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide (LXH254)
分子名称: N-{3-[2-(2-hydroxyethoxy)-6-(morpholin-4-yl)pyridin-4-yl]-4-methylphenyl}-2-(trifluoromethyl)pyridine-4-carboxamide, Serine/threonine-protein kinase B-raf
著者Mamo, M, Appleton, B.A.
登録日2018-11-07
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.37 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
8GZZ
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BU of 8gzz by Molmil
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
8H01
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BU of 8h01 by Molmil
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
8H00
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BU of 8h00 by Molmil
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
8HEC
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BU of 8hec by Molmil
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
8HED
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BU of 8hed by Molmil
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
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BU of 8heb by Molmil
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
8ITU
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BU of 8itu by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG.
分子名称: 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2023-03-23
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
2KV3
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BU of 2kv3 by Molmil
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
1TD9
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BU of 1td9 by Molmil
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
2HQB
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BU of 2hqb by Molmil
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
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BU of 2hql by Molmil
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
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BU of 2i6w by Molmil
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
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BU of 4kju by Molmil
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
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BU of 4kjv by Molmil
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
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BU of 3piy by Molmil
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
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BU of 3piz by Molmil
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
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BU of 3pj3 by Molmil
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
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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
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BU of 3pix by Molmil
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
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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
6M94
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Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex
分子名称: Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ...
著者Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
登録日2018-08-22
公開日2019-04-03
最終更新日2019-04-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019

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