3WGH
 
 | | Crystal structure of RSP in complex with beta-NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CACODYLATE ION, Redox-sensing transcriptional repressor rex, ... | | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | | Deposit date: | 2013-08-05 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes.
J.Struct.Biol., 188, 2014
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3O1Q
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3WGI
 | | Crystal structure of RSP in complex with beta-NAD+ and operator DNA | | Descriptor: | DNA (5'-D(*TP*AP*GP*AP*TP*TP*GP*TP*TP*AP*AP*TP*CP*GP*AP*TP*TP*AP*AP*CP*AP*AP*TP*C)-3'), NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), Redox-sensing transcriptional repressor rex | | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | | Deposit date: | 2013-08-05 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes.
J.Struct.Biol., 188, 2014
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3WG9
 | | Crystal structure of RSP, a Rex-family repressor | | Descriptor: | Redox-sensing transcriptional repressor rex, SULFATE ION | | Authors: | Zheng, Y, Ko, T.-P, Guo, R.-T. | | Deposit date: | 2013-08-03 | | Release date: | 2014-08-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Distinct structural features of Rex-family repressors to sense redox levels in anaerobes and aerobes.
J.Struct.Biol., 188, 2014
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4AMO
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4AMP
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4AMN
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4AMM
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5B5R
 | | Crystal structure of GSDMA3 | | Descriptor: | Gasdermin-A3 | | Authors: | Ding, J, Shao, F. | | Deposit date: | 2016-05-14 | | Release date: | 2016-06-15 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Pore-forming activity and structural autoinhibition of the gasdermin family.
Nature, 535, 2016
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4XXB
 | | Crystal structure of human MDM2-RPL11 | | Descriptor: | 60S ribosomal protein L11, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2, ... | | Authors: | Zheng, J, Chen, Z. | | Deposit date: | 2015-01-30 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human MDM2 complexed with RPL11 reveals the molecular basis of p53 activation
Genes Dev., 29, 2015
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7K41
 | | Bacterial O-GlcNAcase (OGA) with compound | | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ... | | Authors: | Lane, W, Tjhen, R, Snell, G, Sang, B. | | Deposit date: | 2020-09-14 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization.
J.Med.Chem., 64, 2021
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8JBJ
 | | Crystal structure of anti-PVRIG Fab | | Descriptor: | antibody heavy chain, antibody light chain | | Authors: | Sun, J, Li, X.L, Song, J. | | Deposit date: | 2023-05-09 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Identification and characterization of an unexpected isomerization motif in CDRH2 that affects antibody activity.
Mabs, 15, 2023
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6J6M
 | | Co-crystal structure of BTK kinase domain with Zanubrutinib | | Descriptor: | (7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, IMIDAZOLE, Tyrosine-protein kinase BTK | | Authors: | Zhou, X, Hong, Y. | | Deposit date: | 2019-01-15 | | Release date: | 2019-10-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
J.Med.Chem., 62, 2019
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5C71
 | | The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid monoglucuronide | | Descriptor: | (3BETA,5BETA,14BETA)-3-HYDROXY-11-OXOOLEAN-12-EN-29-OIC ACID, Glucuronidase, alpha-D-glucopyranuronic acid | | Authors: | Sun, H.L, Lv, B, Huang, S, Li, C, Jiang, T. | | Deposit date: | 2015-06-24 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Structure-guided engineering of the substrate specificity of a fungal beta-glucuronidase toward triterpenoid saponins.
J.Biol.Chem., 293, 2018
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2H80
 | | NMR structures of SAM domain of Deleted in Liver Cancer 2 (DLC2) | | Descriptor: | StAR-related lipid transfer protein 13 | | Authors: | Li, H.Y, Fung, K.L, Jin, D.Y, Chung, S.S, Ko, B.C, Sun, H.Z. | | Deposit date: | 2006-06-06 | | Release date: | 2007-05-15 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structures, dynamics, and lipid-binding of the sterile alpha-motif domain of the deleted in liver cancer 2
Proteins, 67, 2007
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6LRI
 | | Human cGAS catalytic domain bound with compound 17 | | Descriptor: | 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRE
 | | Human cGAS catalytic domain bound with compound 3 | | Descriptor: | 1,3-bis(oxidanylidene)benzo[de]isoquinoline-6,7-dicarboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRK
 | | Human cGAS catalytic domain bound with compound 40 | | Descriptor: | (3R)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C. | | Deposit date: | 2020-01-16 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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6LRR
 | | Cryo-EM structure of RuBisCO-Raf1 from Anabaena sp. PCC 7120 | | Descriptor: | All5250 protein, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | | Authors: | Xia, L.Y, Jiang, Y.L, Kong, W.W, Chen, Y, Zhou, C.Z. | | Deposit date: | 2020-01-16 | | Release date: | 2020-05-13 | | Last modified: | 2020-07-01 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | Molecular basis for the assembly of RuBisCO assisted by the chaperone Raf1.
Nat.Plants, 6, 2020
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6LRC
 | | Human cGAS catalytic domain bound with the inhibitor PF-06928215 | | Descriptor: | (1R,2S)-2-[(7-hydroxy-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Xu, Y.C. | | Deposit date: | 2020-01-15 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.831 Å) | | Cite: | In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020
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3M3E
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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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5E2P
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5E2O
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3NG2
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