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PDB: 44 件
7OTV
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BU of 7otv by Molmil
DNA-PKcs in complex with wortmannin
分子名称: (1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE, DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTW
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DNA-PKcs in complex with AZD7648
分子名称: 7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(oxan-4-yl)purin-8-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.99 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTM
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BU of 7otm by Molmil
Cryo-EM structure of DNA-PKcs in complex with NU7441
分子名称: 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTY
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DNA-PKcs in complex with M3814
分子名称: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA-dependent protein kinase catalytic subunit,DNA-PKcs
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
7OTP
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BU of 7otp by Molmil
DNA-PKcs in complex with ATPgammaS-Mg
分子名称: DNA-dependent protein kinase catalytic subunit,DNA-PKcs, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Liang, S, Thomas, S.E, Blundell, T.L.
登録日2021-06-10
公開日2022-01-12
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs.
Nature, 601, 2022
5ARJ
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BU of 5arj by Molmil
crystal structure of porcine RNase 4 D80A mutant
分子名称: RIBONUCLEASE 4
著者Liang, S, Acharya, K.R.
登録日2015-09-25
公開日2016-01-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural Basis of Substrate Specificity in Porcine Rnase 4.
FEBS J., 283, 2016
5ARL
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BU of 5arl by Molmil
crystal structure of porcine RNase 4 D80A mutant in complex with dCMP
分子名称: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, RIBONUCLEASE 4
著者Liang, S, Acharya, K.R.
登録日2015-09-25
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Structural Basis of Substrate Specificity in Porcine Rnase 4.
FEBS J., 283, 2016
5AR6
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crystal structure of porcine RNase 4
分子名称: 1,2-ETHANEDIOL, RIBONUCLEASE 4
著者Liang, S, Acharya, K.R.
登録日2015-09-24
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural Basis of Substrate Specificity in Porcine Rnase 4.
FEBS J., 283, 2016
8KEI
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BU of 8kei by Molmil
Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liang, S.Y, Liu, A.J, Liu, Y.Z, Ye, R.D.
登録日2023-08-11
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (3.56 Å)
主引用文献Cryo-EM structure of NADPH oxidase 2 in complex with p22phox and EROS
To Be Published
7RSY
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BU of 7rsy by Molmil
HIV-1 gp120 complex with CJF-III-049-R
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 Clade C1086, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2021-08-12
公開日2022-06-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics.
Acs Med.Chem.Lett., 12, 2021
7RSZ
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HIV-1 gp120 complex with CJF-II-204
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 gp120 Clade C1086, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide, ...
著者Liang, S, Hendrickson, W.A.
登録日2021-08-12
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics.
Acs Med.Chem.Lett., 12, 2021
7RSX
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BU of 7rsx by Molmil
HIV-1 gp120 complex with CJF-III-049-S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120, N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2021-08-12
公開日2022-06-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics.
Acs Med.Chem.Lett., 12, 2021
7Z88
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DNA-PK in the intermediate state
分子名称: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
著者Liang, S, Blundell, T.L.
登録日2022-03-16
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
7Z87
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BU of 7z87 by Molmil
DNA-PK in the active state
分子名称: (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol, DNA (26-MER), DNA-dependent protein kinase catalytic subunit, ...
著者Liang, S, Blundell, T.L.
登録日2022-03-16
公開日2023-01-18
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.91 Å)
主引用文献Human DNA-dependent protein kinase activation mechanism.
Nat.Struct.Mol.Biol., 30, 2023
5ARK
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BU of 5ark by Molmil
crystal structure of porcine RNase 4 in complex with dUMP
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, PHOSPHATE ION, RIBONUCLEASE 4
著者Liang, S, Acharya, K.R.
登録日2015-09-25
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Basis of Substrate Specificity in Porcine Rnase 4.
FEBS J., 283, 2016
3W2D
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BU of 3w2d by Molmil
Crystal Structure of Staphylococcal Eenterotoxin B in complex with a novel neutralization monoclonal antibody Fab fragment
分子名称: Enterotoxin type B, Monoclonal Antibody 3E2 Fab figment heavy chain, Monoclonal Antibody 3E2 Fab figment light chain, ...
著者Liang, S.Y, Hu, S, Dai, J.X, Guo, Y.J, Lou, Z.Y.
登録日2012-11-28
公開日2013-12-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the neutralization and specificity of Staphylococcal enterotoxin B against its MHC Class II binding site.
MAbs, 6, 2014
5F4U
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BU of 5f4u by Molmil
HIV-1 gp120 complex with BNM-IV-197
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-[[carbamimidoyl(methyl)amino]methyl]-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
5F4P
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HIV-1 gp120 complex with BNM-III-170
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-5-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
5F4L
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BU of 5f4l by Molmil
HIV-1 gp120 complex with JP-III-048
分子名称: ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, ~{N}'-[(1~{R},2~{R})-2-(carbamimidamidomethyl)-6-(methylaminomethyl)-2,3-dihydro-1~{H}-inden-1-yl]-~{N}-(4-chloranyl-3-fluoranyl-phenyl)ethanediamide
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
Acs Med.Chem.Lett., 7, 2016
5F4R
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BU of 5f4r by Molmil
HIV-1 gp120 complex with BNW-IV-147
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ...
著者Liang, S, Hendrickson, W.A.
登録日2015-12-03
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition.
ACS Med Chem Lett, 7, 2016
4G3Y
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BU of 4g3y by Molmil
Crystal structure of TNF-alpha in complex with Infliximab Fab fragment
分子名称: Tumor necrosis factor, infliximab Fab H, infliximab Fab L
著者Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y.
登録日2012-07-15
公開日2013-03-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab
J.Biol.Chem., 288, 2013
1QK6
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BU of 1qk6 by Molmil
Solution structure of huwentoxin-I by NMR
分子名称: HUWENTOXIN-I
著者Qu, Y, Liang, S, Ding, J, Liu, X, Zhang, R, Gu, X.
登録日1999-07-10
公開日1999-08-20
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:2.Three-Dimensional Structure in Solution
J.Protein Chem., 16, 1997
2A2V
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BU of 2a2v by Molmil
The solution structure of Jingzhaotoxin-XI
分子名称: Jingzhaotoxin-XI
著者Liao, Z, Liang, S.P.
登録日2005-06-23
公開日2005-07-05
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献The solution structure of Jingzhaotoxin-XI
To be published
2AAP
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BU of 2aap by Molmil
Solution structure of jingzhaotoxin-vii
分子名称: Jingzhaotoxin-Vii
著者Liao, Z, Liang, S.P.
登録日2005-07-14
公開日2005-08-02
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Solution structure of jingzhaotoxin-vii
TO BE PUBLISHED
7P0K
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BU of 7p0k by Molmil
Crystal structure of Autotaxin (ENPP2) with 18F-labeled positron emission tomography ligand
分子名称: 2-[[2-ethyl-6-[4-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-methyl-amino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazole-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Salgado-Polo, F, Shao, T, Xiao, Z, Van, R, Chen, J, Rong, J, Haider, A, Shao, Y, Josephson, L, Perrakis, A, Liang, S.H.
登録日2021-06-29
公開日2022-07-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Imaging Autotaxin In Vivo with 18 F-Labeled Positron Emission Tomography Ligands
J Med Chem, 64, 2021

 

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