9IOL
 
 | Cryo-EM structure of the complex of DNA, Ku70/80, and laXLF. | Descriptor: | (2S)-2-HYDROXYPROPANOIC ACID, DNA (5'-D(P*AP*GP*GP*TP*CP*GP*AP*CP*GP*AP*AP*TP*CP*GP*GP*CP*AP*GP*CP*G)-3'), DNA (5'-D(P*CP*GP*CP*TP*GP*CP*CP*GP*AP*TP*TP*CP*GP*TP*CP*GP*AP*CP*CP*T)-3'), ... | Authors: | Liang, S. | Deposit date: | 2024-07-09 | Release date: | 2025-07-09 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Cryo-EM structure of the complex of DNA, Ku70/80, and laXLF. To Be Published
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7OTW
 
 | DNA-PKcs in complex with AZD7648 | Descriptor: | 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 | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2025-07-09 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTV
 
 | DNA-PKcs in complex with wortmannin | Descriptor: | (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 | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTM
 
 | Cryo-EM structure of DNA-PKcs in complex with NU7441 | Descriptor: | 8-(dibenzo[b,d]thiophen-4-yl)-2-(morpholin-4-yl)-4H-chromen-4-one, DNA-dependent protein kinase catalytic subunit,DNA-PKcs | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2025-07-02 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTY
 
 | DNA-PKcs in complex with M3814 | Descriptor: | (~{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 | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2025-07-09 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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7OTP
 
 | DNA-PKcs in complex with ATPgammaS-Mg | Descriptor: | DNA-dependent protein kinase catalytic subunit,DNA-PKcs, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Liang, S, Thomas, S.E, Blundell, T.L. | Deposit date: | 2021-06-10 | Release date: | 2022-01-12 | Last modified: | 2025-07-02 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature, 601, 2022
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5ARJ
 
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5AR6
 
 | crystal structure of porcine RNase 4 | Descriptor: | 1,2-ETHANEDIOL, RIBONUCLEASE 4 | Authors: | Liang, S, Acharya, K.R. | Deposit date: | 2015-09-24 | Release date: | 2016-01-20 | Last modified: | 2024-11-06 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis of Substrate Specificity in Porcine Rnase 4. FEBS J., 283, 2016
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5ARK
 
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5ARL
 
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7Z87
 
 | DNA-PK in the active state | Descriptor: | (~{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, ... | Authors: | Liang, S, Blundell, T.L. | Deposit date: | 2022-03-16 | Release date: | 2023-01-18 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Human DNA-dependent protein kinase activation mechanism. Nat.Struct.Mol.Biol., 30, 2023
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7Z88
 
 | DNA-PK in the intermediate state | Descriptor: | (~{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, ... | Authors: | Liang, S, Blundell, T.L. | Deposit date: | 2022-03-16 | Release date: | 2023-01-18 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.33 Å) | Cite: | Human DNA-dependent protein kinase activation mechanism. Nat.Struct.Mol.Biol., 30, 2023
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7RSY
 
 | HIV-1 gp120 complex with CJF-III-049-R | Descriptor: | 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 | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2021-08-12 | Release date: | 2022-06-08 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
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7RSX
 
 | HIV-1 gp120 complex with CJF-III-049-S | Descriptor: | 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 | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2021-08-12 | Release date: | 2022-06-08 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
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7RSZ
 
 | HIV-1 gp120 complex with CJF-II-204 | Descriptor: | 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, ... | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2021-08-12 | Release date: | 2022-06-08 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Identification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics. Acs Med.Chem.Lett., 12, 2021
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5F4U
 
 | HIV-1 gp120 complex with BNM-IV-197 | Descriptor: | 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 | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. ACS Med Chem Lett, 7, 2016
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5F4R
 
 | HIV-1 gp120 complex with BNW-IV-147 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN GP120 of HIV-1 clade C, FORMIC ACID, ... | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2024-11-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. ACS Med Chem Lett, 7, 2016
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5F4P
 
 | HIV-1 gp120 complex with BNM-III-170 | Descriptor: | 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 | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2024-11-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. Acs Med.Chem.Lett., 7, 2016
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5F4L
 
 | HIV-1 gp120 complex with JP-III-048 | Descriptor: | 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 | Authors: | Liang, S, Hendrickson, W.A. | Deposit date: | 2015-12-03 | Release date: | 2016-03-30 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Small-Molecule CD4-Mimics: Structure-Based Optimization of HIV-1 Entry Inhibition. Acs Med.Chem.Lett., 7, 2016
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2JOT
 
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2I1T
 
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1NIY
 
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1QK6
 
 | Solution structure of huwentoxin-I by NMR | Descriptor: | HUWENTOXIN-I | Authors: | Qu, Y, Liang, S, Ding, J, Liu, X, Zhang, R, Gu, X. | Deposit date: | 1999-07-10 | Release date: | 1999-08-20 | Last modified: | 2024-10-23 | Method: | SOLUTION NMR | Cite: | 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
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1RYG
 
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1RYV
 
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