7EY5
 
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7EYA
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7EZV
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7EY4
 | | Local CryoEM of the SARS-CoV-2 S6PV2 in complex with BD-667 | | Descriptor: | BD-667 H, BD-667 L, Spike glycoprotein, ... | | Authors: | Liu, P.L. | | Deposit date: | 2021-05-29 | | Release date: | 2021-09-08 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants.
Cell Res., 31, 2021
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7EY0
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7CJT
 | | Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59 | | Descriptor: | 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | | Authors: | Guo, Y.P, Liang, X, Mao, X, Wu, C, Luyi, H, Yang, S. | | Deposit date: | 2020-07-13 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.474 Å) | | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7CAJ
 | | Crystal structure of SETDB1 Tudor domain in complexed with Compound 2. | | Descriptor: | 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 | | Authors: | Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y. | | Deposit date: | 2020-06-08 | | Release date: | 2021-04-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7EYO
 | | Crystal structure of leech hyaluronidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hyaluronoglucuronidase | | Authors: | Huang, H, Hou, X.D, Rao, Y.J, Kang, Z. | | Deposit date: | 2021-05-31 | | Release date: | 2022-05-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and cleavage pattern of a hyaluronate 3-glycanohydrolase in the glycoside hydrolase 79 family.
Carbohydr Polym, 277, 2022
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7FCP
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7FCQ
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7WDM
 | | Fungal immunomodulatory protein FIP-gmi | | Descriptor: | Immunomodulatory protein | | Authors: | Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z. | | Deposit date: | 2021-12-22 | | Release date: | 2022-12-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.123 Å) | | Cite: | Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties
To Be Published
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7E9B
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8G89
 | | HSD17B13 in complex with cofactor and inhibitor | | Descriptor: | 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide, Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Liu, S. | | Deposit date: | 2023-02-17 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.222 Å) | | Cite: | Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023
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8G84
 | | Crystal structures of HSD17B13 complexes | | Descriptor: | Hydroxysteroid 17-beta dehydrogenase 13, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Liu, S. | | Deposit date: | 2023-02-17 | | Release date: | 2023-08-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.467 Å) | | Cite: | Structural basis of lipid-droplet localization of 17-beta-hydroxysteroid dehydrogenase 13.
Nat Commun, 14, 2023
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8GD7
 | | Loop Deleted DNA Polymerase Theta Polymerase Domain in Complex with Double Strand DNA Overhang and Inhibitor | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate, DNA Primer, ... | | Authors: | Fried, W.A, Chen, X.S, Li, S.X. | | Deposit date: | 2023-03-03 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | Discovery of a small-molecule inhibitor that traps Pol theta on DNA and synergizes with PARP inhibitors.
Nat Commun, 15, 2024
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3QLH
 | | HIV-1 Reverse Transcriptase in Complex with Manicol at the RNase H Active Site and TMC278 (Rilpivirine) at the NNRTI Binding Pocket | | Descriptor: | (2S)-5,7-dihydroxy-9-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one, 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | | Authors: | Himmel, D.M, Wojtak, K, Bauman, J.D, Arnold, E. | | Deposit date: | 2011-02-02 | | Release date: | 2011-12-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthesis, activity, and structural analysis of novel alpha-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.
J.Med.Chem., 54, 2011
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8H66
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8H6D
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8H6C
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8H65
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8HF8
 | | Human PPAR delta ligand binding domain in complex with a synthetic agonist V1 | | Descriptor: | 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid, Peroxisome proliferator-activated receptor delta, octyl beta-D-glucopyranoside | | Authors: | Dai, L, Sun, H.B, Yuan, H.L, Feng, Z.Q. | | Deposit date: | 2022-11-09 | | Release date: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Discovery of the First Subnanomolar PPAR alpha / delta Dual Agonist for the Treatment of Cholestatic Liver Diseases.
J.Med.Chem., 66, 2023
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8HF5
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8HF6
 | | Cryo-EM structure of nucleotide-bound ComA E647Q mutant | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Competence factor transporting ATP-binding protein/permease ComA | | Authors: | Yu, L, Xin, X, Min, L. | | Deposit date: | 2022-11-09 | | Release date: | 2023-10-04 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of peptide secretion for Quorum sensing by ComA.
Nat Commun, 14, 2023
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8HF4
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8HF7
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