8WDO
 
 | | Crystal structure of PDE4D complexed with DCN | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.
J.Med.Chem., 67, 2024
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8VQQ
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | | Deposit date: | 2024-01-19 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQM
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime | | Descriptor: | (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | | Deposit date: | 2024-01-18 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQL
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime | | Descriptor: | (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | | Deposit date: | 2024-01-18 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VQN
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R | | Descriptor: | (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | | Authors: | Lin, T.H, Zhu, Y, Wilson, I.A. | | Deposit date: | 2024-01-18 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8WDN
 | | Crystal structure of PDE4D complexed with 7b-1 | | Descriptor: | 1,2-ETHANEDIOL, 3-[(2~{S},3~{R})-7-ethoxy-2-(3-ethoxy-4-methoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]propan-1-ol, MAGNESIUM ION, ... | | Authors: | Liu, J.Y, Li, M.J, Xu, Y.C. | | Deposit date: | 2023-09-15 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of Dihydrobenzofuran Neolignans as Novel PDE4 Inhibitors and Evaluation of Antiatopic Dermatitis Efficacy in DNCB-Induced Mice Model.
J.Med.Chem., 67, 2024
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8HU7
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8HUE
 | | Crystal structure of FGF2-M2 mutant - D28E/C78I/C96I/S137P | | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Fibroblast growth factor 2 | | Authors: | Jung, Y.E, Cha, S.S, An, Y.J. | | Deposit date: | 2022-12-23 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Structural and biochemical investigation into stable FGF2 mutants with novel mutation sites and hydrophobic replacements for surface-exposed cysteines.
Plos One, 19, 2024
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7VWV
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8CBL
 | | Structure of human mitochondrial RNase Z in complex with mitochondrial pre-tRNA-His(0,Ser) | | Descriptor: | 3-hydroxyacyl-CoA dehydrogenase type-2, Mitochondrial Precursor tRNA-His(0,Ser), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | MEYNIER, V, HARDWICK, S, CATALA, M, ROSKE, J, OERUM, S, CHIRGADZE, D, BARRAUD, P, YU, W, LUISI, B, TISNE, C. | | Deposit date: | 2023-01-25 | | Release date: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Structural basis for human mitochondrial tRNA maturation.
Nat Commun, 15, 2024
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4OIM
 | | Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate | | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-01-20 | | Release date: | 2014-04-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.848 Å) | | Cite: | Time-Dependent Diaryl Ether Inhibitors of InhA: Structure-Activity Relationship Studies of Enzyme Inhibition, Antibacterial Activity, and in vivo Efficacy.
Chemmedchem, 9, 2014
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