9FQH
 
 | | E3 ligase Cbl-b in complex with a triazolone core inhibitor (compound 1) | | Descriptor: | 8-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-3-[[(3~{S})-3-methylpiperidin-1-yl]methyl]-5-(trifluoromethyl)-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2024-06-17 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.786 Å) | | Cite: | Accelerated Discovery of Carbamate Cbl-b Inhibitors Using Generative AI Models and Structure-Based Drug Design.
J.Med.Chem., 67, 2024
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9IIW
 | | A local Cryo-EM structure of Bitter taste receptor TAS2R14 | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, Taste receptor type 2 member 14 | | Authors: | Yuan, Q, Duan, J, Tao, L, Xu, E.H. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 34, 2024
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9IJA
 | | A local Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Taste receptor type 2 member 14 | | Authors: | Yuan, Q, Duan, J, Tao, L, Xu, E.H. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 34, 2024
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9IJ9
 | | A Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yuan, Q, Duan, J, Tao, L, Xu, E.H. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 34, 2024
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9IIX
 | | A Cryo-EM structure of Bitter taste receptor TAS2R14 with Ggust | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Yuan, Q, Duan, J, Tao, L, Xu, E.H. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 34, 2024
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5YGK
 | | Crystal structure of a synthase from Streptomyces sp. CL190 with dmaspp | | Descriptor: | Cyclolavandulyl diphosphate synthase, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION | | Authors: | Gao, J, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-09-23 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
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8JYE
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JYA
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with IPP | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Butyrophylin 3, SULFATE ION | | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JYF
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with DMAPP | | Descriptor: | Butyrophylin 3, DIMETHYLALLYL DIPHOSPHATE, SULFATE ION | | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JYC
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP | | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ... | | Authors: | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JY9
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 in Complex with HMBPP | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophylin 3, SULFATE ION | | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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8JYB
 | | Crystal Structure of Intracellular B30.2 Domain of VpBTN3 | | Descriptor: | Butyrophylin 3, SULFATE ION | | Authors: | Yang, Y.Y, Yi, S.M, Zhang, M.T, Huang, J.-W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-07-03 | | Release date: | 2023-09-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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4EJF
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5YGJ
 | | Crystal structure of a synthase from Streptomyces sp. CL190 | | Descriptor: | Cyclolavandulyl diphosphate synthase | | Authors: | Gao, J, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2017-09-23 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.648 Å) | | Cite: | Catalytic Role of Conserved Asparagine, Glutamine, Serine, and Tyrosine Residues in Isoprenoid Biosynthesis Enzymes.
Acs Catalysis, 8, 2018
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8SX6
 | | RNA duplex bound with GMP and AMP monomers | | Descriptor: | ADENOSINE MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2023-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
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8SWG
 | | RNA duplex bound with GpppA dinucleotide ligand | | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2023-05-18 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
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8SX5
 | | GpppA dinucleotide binding to RNA CU template | | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2023-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
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8SXL
 | | RNA UU template binding to AMP monomer | | Descriptor: | ADENOSINE MONOPHOSPHATE, RNA (5'-R(*(TLN)P*(TLN)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2023-05-22 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
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8SWO
 | | GpppA dinucleotide ligand binding to RNA UC template | | Descriptor: | GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GA3))-3') | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2023-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
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8SY1
 | | RNA duplex bound with imidazolium bridged GA dinucleotide | | Descriptor: | RNA (5'-R(*(TLN)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G*(GMA))-3'), [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[2-azanyl-3-[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]imidazol-1-yl]phosphinic acid | | Authors: | Zhang, W, Dantsu, Y. | | Deposit date: | 2023-05-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand.
Rsc Chem Biol, 4, 2023
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8X03
 | | Structure of mitochondrial soluble protein | | Descriptor: | Acetyltransferase component of pyruvate dehydrogenase complex | | Authors: | Zhang, S.S, Chen, M.F. | | Deposit date: | 2023-11-03 | | Release date: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.66 Å) | | Cite: | Molecular architecture of mammalian pyruvate dehydrogenase complex.
Protein Cell, 2024
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4H2M
 | | Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1408 | | Descriptor: | 2,2'-{benzene-1,3-diylbis[ethyne-2,1-diyl(5-bromobenzene-3,1-diyl)]}diethanamine, Undecaprenyl pyrophosphate synthase | | Authors: | Zhu, W, Oldfield, E. | | Deposit date: | 2012-09-12 | | Release date: | 2012-12-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4H3A
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4H2O
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5T18
 | | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2016-08-18 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
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