4RIO
 
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7JRA
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2O90
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5TRL
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5TRM
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7EL1
 | | Structure of a protein from bacteria | | Descriptor: | 100AA, CRISPR-associated endonuclease Cas9, DNA (28-MER), ... | | Authors: | Liu, H, Zhu, Y, Huang, Z. | | Deposit date: | 2021-04-07 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Structural basis of Staphylococcus aureus Cas9 inhibition by AcrIIA14.
Nucleic Acids Res., 49, 2021
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7EPQ
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7FAH
 | | Immune complex of head region of CA09 HA and neutralizing antibody 12H5 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | | Authors: | Li, T.T, Xue, W.H, Gu, Y, Li, S.W. | | Deposit date: | 2021-07-06 | | Release date: | 2022-07-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.151 Å) | | Cite: | Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
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8GRR
 | | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W125 | | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | | Authors: | He, Y, Kun, L. | | Deposit date: | 2022-09-02 | | Release date: | 2023-10-11 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.72 Å) | | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
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8GSP
 | | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2 | | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | | Authors: | He, Y, Li, K. | | Deposit date: | 2022-09-06 | | Release date: | 2023-10-11 | | Last modified: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.75 Å) | | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies.
Plos Pathog., 19, 2023
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6KJ7
 | | E. coli ATCase catalytic subunit mutant - G166P | | Descriptor: | Aspartate carbamoyltransferase catalytic subunit | | Authors: | Lei, Z, Zheng, J, Jia, Z. | | Deposit date: | 2019-07-21 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.839 Å) | | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
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6V7O
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6KJ8
 | | E. coli ATCase holoenzyme mutant - G166P (catalytic chain) | | Descriptor: | Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION | | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.011 Å) | | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
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6KJA
 | | E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain) | | Descriptor: | Aspartate carbamoyltransferase catalytic subunit, Aspartate carbamoyltransferase regulatory chain, ZINC ION | | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.064 Å) | | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
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6KJ9
 | | E. coli ATCase catalytic subunit mutant - G128/130A | | Descriptor: | Aspartate carbamoyltransferase catalytic subunit | | Authors: | Lei, Z, Zheng, J, Jia, Z.C. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | New regulatory mechanism-based inhibitors of aspartate transcarbamoylase for potential anticancer drug development.
Febs J., 287, 2020
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4N75
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6O98
 | | Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor | | Descriptor: | 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one, Nuclear receptor ROR-gamma | | Authors: | Sack, J.S. | | Deposit date: | 2019-03-13 | | Release date: | 2019-03-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
ACS Med Chem Lett, 10, 2019
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6NX1
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL | | Descriptor: | 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion | | Authors: | Khan, J.A. | | Deposit date: | 2019-02-07 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
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4R3H
 | | The crystal structure of an apo RNA binding protein | | Descriptor: | SULFATE ION, UNKNOWN ATOM OR ION, YTH domain-containing protein 1 | | Authors: | Xu, C, Liu, K, Tempel, W, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-08-15 | | Release date: | 2014-09-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for selective binding of m(6)A RNA by the YTHDC1 YTH domain.
Nat.Chem.Biol., 10, 2014
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6BN6
 | | IDENTIFICATION OF BICYCLIC HEXAFLUOROISOPROPYL ALCOHOL SULFONAMIDES AS RORGT/RORC INVERSE AGONISTS | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor ROR-gamma, SULFATE ION | | Authors: | Sack, J. | | Deposit date: | 2017-11-16 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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6CCY
 | | Crystal structure of Akt1 in complex with a selective inhibitor | | Descriptor: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide | | Authors: | Wang, Y, Stout, S. | | Deposit date: | 2018-02-07 | | Release date: | 2018-05-02 | | Last modified: | 2018-05-16 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
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1WUT
 | | Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | | Descriptor: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ... | | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E. | | Deposit date: | 2004-12-08 | | Release date: | 2005-12-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
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5VO6
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5WFJ
 | | THE JAK3 KINASE DOMAIN IN COMPLEX WITH A COVALENT INHIBITOR | | Descriptor: | 4-({[3-(propanoylamino)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 | | Authors: | Sack, J. | | Deposit date: | 2017-07-12 | | Release date: | 2017-10-04 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of highly potent, selective, covalent inhibitors of JAK3.
Bioorg. Med. Chem. Lett., 27, 2017
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6AGY
 | | Aspergillus fumigatus Af293 NDK | | Descriptor: | Nucleoside diphosphate kinase | | Authors: | Hu, Y, Han, L. | | Deposit date: | 2018-08-15 | | Release date: | 2019-03-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of crystal structure and key residues of Aspergillus fumigatus nucleoside diphosphate kinase.
Biochem. Biophys. Res. Commun., 511, 2019
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