8DJD
 
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9LJ8
 | | Tail structure of bacteriophage Mu in contracted state | | Descriptor: | Probable tail terminator protein, Tail sheath protein, Tail tube protein | | Authors: | Liu, H.R, Zhou, J.Q. | | Deposit date: | 2025-01-14 | | Release date: | 2025-02-19 | | Last modified: | 2025-04-02 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | In situ structures of the contractile nanomachine myophage Mu in both its extended and contracted states.
J.Virol., 99, 2025
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5XLD
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5XL9
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5XL1
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5XLC
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5XL3
 | | Complex structure of H4 hemagglutinin from avian influenza H4N6 virus with LSTa | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Song, H, Qi, J, Gao, G.F. | | Deposit date: | 2017-05-10 | | Release date: | 2017-08-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
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5XL5
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6LJB
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6LJ9
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6P9F
 | | Crystal structure of RAR-related orphan receptor C (NHIS-RORGT(244-487)-L6-SRC1(678-692)) in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 chimera, trans-4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]pyrrolidine-1-carbonyl}cyclohexane-1-carboxylic acid | | Authors: | Sack, J. | | Deposit date: | 2019-06-10 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR gamma t inverse agonists.
Bioorg.Med.Chem.Lett., 29, 2019
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8WVB
 | | Crystal structure of Lsd18 mutant S195M | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Putative epoxidase LasC | | Authors: | Liu, N, Xiao, H.L, Chen, X. | | Deposit date: | 2023-10-23 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Simultaneous Improvement in the Thermostability and Catalytic Activity of Epoxidase Lsd18 for the Synthesis of Lasalocid A.
Int J Mol Sci, 24, 2023
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8WVF
 | | Crystal structure of Lsd18 mutant T189M and S195M | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative epoxidase LasC | | Authors: | Liu, N, Xiao, H.L, Chen, X. | | Deposit date: | 2023-10-23 | | Release date: | 2023-12-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.757 Å) | | Cite: | Simultaneous Improvement in the Thermostability and Catalytic Activity of Epoxidase Lsd18 for the Synthesis of Lasalocid A.
Int J Mol Sci, 24, 2023
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2OYP
 | | T Cell Immunoglobulin Mucin-3 Crystal Structure Revealed a Galectin-9-independent Binding Surface | | Descriptor: | Hepatitis A virus cellular receptor 2, SULFATE ION | | Authors: | Cao, E, Ramagopal, U.A, Fedorov, A.A, Fedorov, E.V, Nathenson, S.G, Almo, S.C. | | Deposit date: | 2007-02-22 | | Release date: | 2007-04-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | T cell immunoglobulin mucin-3 crystal structure reveals a galectin-9-independent ligand-binding surface
Immunity, 26, 2007
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5JYY
 | | Structure-based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-resistant Influenza Viruses | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid, CALCIUM ION, ... | | Authors: | Fu, L, Wu, Y, Bi, Y, Zhang, S, Lv, X, Qi, J, Li, Y, Lu, X, Yan, J, Gao, G.F, Li, X. | | Deposit date: | 2016-05-15 | | Release date: | 2016-06-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Tetravalent Zanamivir with Potent Inhibitory Activity against Drug-Resistant Influenza Viruses
J.Med.Chem., 59, 2016
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8DJE
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 3-[(CYCLOPROPYLMETHYL)AMINO] -N-(4-PHENYLPYRIDIN-3-YL)IMIDAZO[1,2-B]PYRIDAZINE-8-CARBOX AMIDE | | Descriptor: | (4S)-3-[(cyclopropylmethyl)amino]-N-(4-phenylpyridin-3-yl)imidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.374 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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8DJC
 | | CRYSTAL STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl] pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide | | Descriptor: | (4S)-N-{4-[(2S)-2-methylmorpholin-4-yl]pyridin-3-yl}-2-phenylimidazo[1,2-b]pyridazine-8-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Muckelbauer, J.K. | | Deposit date: | 2022-06-30 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.463 Å) | | Cite: | Design, Structure-Activity Relationships, and In Vivo Evaluation of Potent and Brain-Penetrant Imidazo[1,2- b ]pyridazines as Glycogen Synthase Kinase-3 beta (GSK-3 beta ) Inhibitors.
J.Med.Chem., 66, 2023
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8T3P
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8FF8
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9UDB
 | | Crystal structure of MonCI in complex with farnesyl acetate | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl acetate, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Deng, Y.M, Chen, X. | | Deposit date: | 2025-04-06 | | Release date: | 2025-04-16 | | Last modified: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanistic and molecular insights into iterative triepoxidation catalyzed by monooxygenase MonCI using a natural substrate analog.
Int.J.Biol.Macromol., 311, 2025
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5F95
 | | Crystal structure of GSK3b in complex with Compound 18: 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide | | Descriptor: | 2-[(cyclopropylcarbonyl)amino]-N-(4-phenylpyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.525 Å) | | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
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5F94
 | | Crystal structure of GSK3b in complex with Compound 15: 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide | | Descriptor: | 2-[(cyclopropylcarbonyl)amino]-N-(4-methoxypyridin-3-yl)pyridine-4-carboxamide, Glycogen synthase kinase-3 beta | | Authors: | Lewis, H.A, Kish, K, Luo, G, Dubowchick, G.M. | | Deposit date: | 2015-12-09 | | Release date: | 2016-02-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of Isonicotinamides as Highly Selective, Brain Penetrable, and Orally Active Glycogen Synthase Kinase-3 Inhibitors.
J.Med.Chem., 59, 2016
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7KGY
 | | Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide | | Descriptor: | 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL | | Authors: | Simpson, J.B, Redinbo, M.R. | | Deposit date: | 2020-10-19 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract.
Nat Commun, 13, 2022
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7KGZ
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3FNU
 | | Crystal structure of KNI-10006 bound histo-aspartic protease (HAP) from Plasmodium falciparum | | Descriptor: | (4R)-3-[(2S,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, HAP protein | | Authors: | Bhaumik, P, Gustchina, A, Wlodawer, A. | | Deposit date: | 2008-12-26 | | Release date: | 2009-05-12 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of the histo-aspartic protease (HAP) from Plasmodium falciparum.
J.Mol.Biol., 388, 2009
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