7EBK
 
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7KKJ
 | | Structure of anti-SARS-CoV-2 Spike nanobody mNb6 | | Descriptor: | CHLORIDE ION, SULFATE ION, Synthetic nanobody mNb6 | | Authors: | Schoof, M.S, Faust, B.F, Saunders, R.A, Sangwan, S, Rezelj, V, Hoppe, N, Boone, M, Billesboelle, C.B, Puchades, C, Azumaya, C.M, Kratochvil, H.T, Zimanyi, M, Desphande, I, Liang, J, Dickinson, S, Nguyen, H.C, Chio, C.M, Merz, G.E, Thompson, M.C, Diwanji, D, Schaefer, K, Anand, A.A, Dobzinski, N, Zha, B.S, Simoneau, C.R, Leon, K, White, K.M, Chio, U.S, Gupta, M, Jin, M, Li, F, Liu, Y, Zhang, K, Bulkley, D, Sun, M, Smith, A.M, Rizo, A.N, Moss, F, Brilot, A.F, Pourmal, S, Trenker, R, Pospiech, T, Gupta, S, Barsi-Rhyne, B, Belyy, V, Barile-Hill, A.W, Nock, S, Liu, Y, Krogan, N.J, Ralston, C.Y, Swaney, D.L, Garcia-Sastre, A, Ott, M, Vignuzzi, M, Walter, P, Manglik, A, QCRG Structural Biology Consortium | | Deposit date: | 2020-10-27 | | Release date: | 2020-11-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | An ultrapotent synthetic nanobody neutralizes SARS-CoV-2 by stabilizing inactive Spike.
Science, 370, 2020
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5UIS
 | | Crystal structure of IRAK4 in complex with compound 12 | | Descriptor: | 4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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6LWF
 | | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing guanidinohydantoin (Gh) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DGH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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5UIQ
 | | Crystal structure of IRAK4 in complex with compound 9 | | Descriptor: | 2-[(propan-2-yl)oxy]benzamide, Interleukin-1 receptor-associated kinase 4 | | Authors: | Han, S, Chang, J.S. | | Deposit date: | 2017-01-14 | | Release date: | 2017-05-24 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Discovery of Clinical Candidate 1-{[(2S,3S,4S)-3-Ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide (PF-06650833), a Potent, Selective Inhibitor of Interleukin-1 Receptor Associated Kinase 4 (IRAK4), by Fragment-Based Drug Design.
J. Med. Chem., 60, 2017
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6LWC
 | | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing spiroiminodihydantoin (Sp) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DSP)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWA
 | | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing 5-hydroxyuracil (5-OHU) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(OHU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWG
 | | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing guanidinohydantoin (Gh) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DGH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWB
 | | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing 5-hydroxyuracil (5-OHU) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(OHU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWN
 | | Crystal structure of human NEIL1(R242, G249P) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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7E3M
 | | RORgamma LBD complexed with Panaxatriol and SRC2.2 | | Descriptor: | (3R,5R,6S,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6,12-triol, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Nuclear receptor ROR-gamma | | Authors: | Liu, Z.H, Huang, J, Lu, W.Q, Tang, Y, Wu, Z.R. | | Deposit date: | 2021-02-09 | | Release date: | 2022-03-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human RORgammat LBD with SRC2.2 at 2.80 Angstroms resolution
To Be Published
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6LWO
 | | Crystal structure of human NEIL1(R242, Y244H) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWM
 | | Crystal structure of human NEIL1(K242) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWI
 | | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing dihydrothymine (DHT) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(TDH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWJ
 | | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing dihydrouracil (DHU) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(UDH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWK
 | | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing dihydrouracil (DHU) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(UDH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWD
 | | Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing spiroiminodihydantoin (Sp) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DSP)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWP
 | | Crystal structure of human NEIL1(R242, Y244R) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWH
 | | Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing dihydrothymine (DHT) | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(TDH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWL
 | | Crystal structure of human NEIL1(R242) bound to duplex DNA containing 2'-fluoro-2'-deoxy-5,6-dihydrouridine | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*(FDU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1, ... | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWQ
 | | Crystal structure of human NEIL1(R242) bound to duplex DNA containing a C:T mismatch | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*AP*TP*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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6LWR
 | | Crystal structure of human NEIL1(K242) bound to duplex DNA containing a cleaved C:T mismatch | | Descriptor: | DNA (5'-D(*CP*GP*TP*CP*CP*(PDA))-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 | | Authors: | Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. | | Deposit date: | 2020-02-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes.
Nat Commun, 12, 2021
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5XZ8
 | | Crystal Structure of Phosphofructokinase from Staphylococcus aureus in complex with adenylylimidodiphosphate (the ATP analog) and fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, ATP-dependent 6-phosphofructokinase, GLYCEROL, ... | | Authors: | Wang, C.L, Tian, T, Zang, J.Y. | | Deposit date: | 2017-07-11 | | Release date: | 2019-02-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Insights into the Regulation of Staphylococcus aureus Phosphofructokinase by Tetramer-Dimer Conversion.
Biochemistry, 57, 2018
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5GXO
 | | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | | Deposit date: | 2016-09-19 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase.
Free Radic. Biol. Med., 112, 2017
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6YQ4
 | | Crystal structure of Fusobacterium nucleatum tannase | | Descriptor: | GLYCEROL, MAGNESIUM ION, SPERMIDINE, ... | | Authors: | Mancheno, J.M, Anguita, J, Rodriguez, H. | | Deposit date: | 2020-04-16 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.399 Å) | | Cite: | A structurally unique Fusobacterium nucleatum tannase provides detoxicant activity against gallotannins and pathogen resistance.
Microb Biotechnol, 15, 2022
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