7T9V
 
 | | Crystal structure of hSTING with the agonist, SHR171032 | | Descriptor: | (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein | | Authors: | Chowdhury, R, Miller, M. | | Deposit date: | 2021-12-20 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
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7JTM
 | | CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C (NHIS-RORGT(244-487)-L6-SRC1(6T78-692) IN COMPLEX WITH A TRICYCLIC SULFONE RORGT INVERSE AGONIST | | Descriptor: | Nuclear receptor ROR-gamma, trans-4-[(3aR,9bR)-8-cyano-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]cyclohexane-1-carboxylic acid | | Authors: | Sack, J.S. | | Deposit date: | 2020-08-18 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Tricyclic sulfones as potent, selective and efficacious ROR gamma t inverse agonists - Exploring C6 and C8 SAR using late-stage functionalization.
Bioorg.Med.Chem.Lett., 30, 2020
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7BXF
 | | MvcA-Lpg2149 complex | | Descriptor: | Lpg2149, MvcA, PRASEODYMIUM ION | | Authors: | Gao, P. | | Deposit date: | 2020-04-19 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors.
Nat Commun, 11, 2020
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5TR4
 | | Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | | Descriptor: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | | Authors: | Sintchak, M.D. | | Deposit date: | 2016-10-25 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
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8TXG
 | | Crystal structure of KRAS G12D in complex with GDP and compound 8 | | Descriptor: | (4M)-4-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-7-fluoro-1,3-benzothiazol-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXH
 | | Crystal structure of KRAS G12D in complex with GDP and compound 14 | | Descriptor: | (4P)-2-amino-4-{4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-7-yl}-7-fluoro-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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8TXE
 | | Crystal structure of KRAS G12D in complex with GDP and compound 5 | | Descriptor: | (6M)-6-(6-chloro-4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-7-yl)-4-methyl-5-(trifluoromethyl)pyridin-2-amine, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Chen, P, Irimia, A, Yang, Z. | | Deposit date: | 2023-08-23 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure-Based Design and Synthesis of Potent and Selective KRAS G12D Inhibitors.
Acs Med.Chem.Lett., 14, 2023
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6NSL
 | | CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound-6c AKA 6-((1-(4-CYANOPHENY L)-2-OXO-1,2-DIHYDRO-3-PYRIDINYL)AMINO)-N-CYCLOPROPYL-8-(M ETHYLAMINO)IMIDAZO[1,2-B]PYRIDAZINE-3-CARBOXAMIDE | | Descriptor: | 6-{[1-(4-cyanophenyl)-2-oxo-1,2-dihydropyridin-3-yl]amino}-N-cyclopropyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | | Authors: | Muckelbauer, J.M, Khan, J.A. | | Deposit date: | 2019-01-25 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of Imidazo[1,2-b]pyridazine Derivatives as Potent, Selective, and Orally Active Tyk2 JH2 Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6WO6
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7YE9
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2023-05-03 | | Method: | ELECTRON MICROSCOPY (4.17 Å) | | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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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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7YDY
 | | SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | Deposit date: | 2022-07-04 | | Release date: | 2022-08-24 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (4.75 Å) | | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YEG
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YDI
 | | SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | Deposit date: | 2022-07-04 | | Release date: | 2022-08-24 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.98 Å) | | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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7YE5
 | | SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X. | | Deposit date: | 2022-07-05 | | Release date: | 2022-08-24 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (6.75 Å) | | Cite: | SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
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5HXF
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7D8T
 | | MITF bHLHLZ complex with M-box DNA | | Descriptor: | DNA (5'-D(*TP*GP*TP*AP*AP*CP*AP*TP*GP*TP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(P*GP*GP*GP*AP*CP*AP*CP*AP*TP*GP*TP*TP*AP*CP*AP*G)-3'), Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit | | Authors: | Guo, M, Fang, P, Wang, J. | | Deposit date: | 2020-10-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.201 Å) | | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
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7D8R
 | | MITF HLHLZ structure | | Descriptor: | Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit | | Authors: | Guo, M, Fang, P, Wang, J. | | Deposit date: | 2020-10-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
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7D8S
 | | MITF bHLHLZ apo structure | | Descriptor: | Microphthalmia-associated transcription factor,Methionyl-tRNA synthetase beta subunit, SULFATE ION | | Authors: | Guo, M, Fang, P, Wang, J. | | Deposit date: | 2020-10-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy.
Cell Res., 33, 2023
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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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5HXG
 | | STM1697-FlhD complex | | Descriptor: | Flagellar transcriptional regulator FlhD, Uncharacterized protein STM1697 | | Authors: | Li, B, Yuan, Z, Qin, L, Gu, L. | | Deposit date: | 2016-01-30 | | Release date: | 2017-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of STM1697-FlhD complex
To Be Published
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6GF6
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6GF7
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6GF8
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1QAW
 | | Regulatory Features of the TRP Operon and the Crystal Structure of the TRP RNA-Binding Attenuation Protein from Bacillus Stearothermophilus. | | Descriptor: | TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN | | Authors: | Chen, X.-P, Antson, A.A, Yang, M, Baumann, C, Dodson, E.J, Dodson, G.G, Gollnick, P. | | Deposit date: | 1999-03-31 | | Release date: | 1999-04-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Regulatory features of the trp operon and the crystal structure of the trp RNA-binding attenuation protein from Bacillus stearothermophilus.
J.Mol.Biol., 289, 1999
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