6LP6
 
 | | Crystal structure of human DHODH in complex with inhibitor 1214 | | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Chen, Q, Yu, Y. | | Deposit date: | 2020-01-09 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.795 Å) | | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
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5JIE
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7V1N
 | | Structure of the Clade 2 C. difficile TcdB in complex with its receptor TFPI | | Descriptor: | Isoform Beta of Tissue factor pathway inhibitor, Toxin B | | Authors: | Luo, J, Yang, Q, Zhang, X, Zhang, Y, Wan, L, Li, Y, Tao, L. | | Deposit date: | 2021-08-05 | | Release date: | 2022-02-23 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | TFPI is a colonic crypt receptor for TcdB from hypervirulent clade 2 C. difficile.
Cell, 185, 2022
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6KXG
 | | Crystal structure of caspase-11-CARD | | Descriptor: | caspase-11-CARD | | Authors: | Liu, M.Z.Y, Jin, T.C. | | Deposit date: | 2019-09-11 | | Release date: | 2020-09-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.805 Å) | | Cite: | Crystal structure of caspase-11 CARD provides insights into caspase-11 activation.
Cell Discov, 6, 2020
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5WTW
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5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-12-01 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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6L40
 | | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid | | Authors: | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | | Deposit date: | 2019-10-15 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.209 Å) | | Cite: | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
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7TAE
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6L3X
 | | Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, [(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid | | Authors: | Luo, Y.F, Bao, R, Ju, Y, He, L.H. | | Deposit date: | 2019-10-15 | | Release date: | 2020-08-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3054 Å) | | Cite: | Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
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6X3I
 | | NNAS Fc mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin gamma-1 heavy chain, beta-D-mannopyranose | | Authors: | Wei, R, Zhou, Y.F. | | Deposit date: | 2020-05-21 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.268 Å) | | Cite: | Engineered Fc-glycosylation switch to eliminate antibody effector function.
Mabs, 12, 2020
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4RL7
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1JIA
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8K4F
 | | DHODH in complex with compound A0 | | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | Authors: | Jian, L, Sun, Q. | | Deposit date: | 2023-07-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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3WY7
 | | Crystal structure of Mycobacterium smegmatis 7-Keto-8-aminopelargonic acid (KAPA) synthase BioF | | Descriptor: | 8-amino-7-oxononanoate synthase | | Authors: | Fan, S.H, Li, D.F, Wang, D.C, Chen, G.J, Zhang, X.E, Bi, L.J. | | Deposit date: | 2014-08-20 | | Release date: | 2014-12-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure and function of Mycobacterium smegmatis 7-keto-8-aminopelargonic acid (KAPA) synthase
Int.J.Biochem.Cell Biol., 58C, 2014
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6LJQ
 | | human galectin-16 R55N | | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJP
 | | Crystal structure of human galectin-16 | | Descriptor: | Galectin-16 | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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6LJR
 | | human galectin-16 R55N/H57R | | Descriptor: | Galectin-16, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Su, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human galectin-16 has a pseudo ligand binding site and plays a role in regulating c-Rel-mediated lymphocyte activity.
Biochim Biophys Acta Gen Subj, 1865, 2020
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7ZQS
 | | Cryo-EM Structure of Human Transferrin Receptor 1 bound to DNA Aptamer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (30-MER), ... | | Authors: | Bansia, H, Wang, T, Gutierrez, D, des Georges, A. | | Deposit date: | 2022-05-02 | | Release date: | 2022-08-17 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Discovery of a Transferrin Receptor 1-Binding Aptamer and Its Application in Cancer Cell Depletion for Adoptive T-Cell Therapy Manufacturing.
J.Am.Chem.Soc., 144, 2022
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6LBP
 | | Structure of the Glutamine Phosphoribosylpyrophosphate Amidotransferase from Arabidopsis thaliana | | Descriptor: | Amidophosphoribosyltransferase 2, chloroplastic, IRON/SULFUR CLUSTER | | Authors: | Yi, Z, Cao, X, Han, F, Feng, Y. | | Deposit date: | 2019-11-14 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.065 Å) | | Cite: | Crystal Structure of the Chloroplastic Glutamine Phosphoribosylpyrophosphate Amidotransferase GPRAT2 FromArabidopsis thaliana.
Front Plant Sci, 11, 2020
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6VJT
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7MK3
 | | Crystal structure of NPR1 | | Descriptor: | CHLORIDE ION, GLYCEROL, Regulatory protein NPR1, ... | | Authors: | Cheng, J, Wu, Q, Zhou, P. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
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6XVF
 | | Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021 | | Descriptor: | 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Amporndanai, K, Hasnain, S.S, Antonyuk, S.V. | | Deposit date: | 2020-01-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
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6XRJ
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8GUO
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8GUP
 | | Crystal structure of EsaG from Staphylococcus aureus | | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-09-13 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.298725 Å) | | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria.
Nat Commun, 13, 2022
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