6UYA
 
 | | Crystal structure of Compound 19 bound to IRAK4 | | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | | Authors: | Kiefer, J.R, Bryan, M.C, Lupardus, P.J, Zarrin, A.A, Rajapaksa, N.S, Gobbi, A, Drobnick, J, Kolesnikov, A, Liang, J, Do, S. | | Deposit date: | 2019-11-12 | | Release date: | 2019-11-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Discovery of Potent Benzolactam IRAK4 Inhibitors with Robust in Vivo Activity.
Acs Med.Chem.Lett., 11, 2020
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2YEX
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | Descriptor: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | | Deposit date: | 2011-03-31 | | Release date: | 2012-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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8HC9
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (3 RBD down) | | 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 YB13-292 Fab, ... | | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (6.03 Å) | | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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8HC2
 | | SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 1 YB9-258 Fab (1 RBD up) | | 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 YB9-258 Fab, ... | | Authors: | Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X. | | Deposit date: | 2022-11-01 | | Release date: | 2023-01-25 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (6.21 Å) | | Cite: | Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
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2YER
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | Authors: | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L. | | Deposit date: | 2011-03-30 | | Release date: | 2012-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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8IEC
 | | Cryo-EM structure of miniGo-scFv16 of GPR156-miniGo-scFv16 complex (local refine) | | Descriptor: | 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, Guanine nucleotide-binding protein G(o) subunit alpha, ... | | Authors: | Shin, J, Park, J, Cho, Y. | | Deposit date: | 2023-02-15 | | Release date: | 2024-02-14 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
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8IEB
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8IEP
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8IED
 | | Cryo-EM structure of GPR156-miniGo-scFv16 complex | | Descriptor: | 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, Guanine nucleotide-binding protein G(o) subunit alpha, ... | | Authors: | Shin, J, Park, J, Cho, Y. | | Deposit date: | 2023-02-15 | | Release date: | 2024-02-14 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.33 Å) | | Cite: | Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
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8B37
 | | Crystal structure of Pyrobaculum aerophilum potassium-independent proton pumping membrane integral pyrophosphatase in complex with imidodiphosphate and magnesium, and with bound sulphate | | Descriptor: | IMIDODIPHOSPHORIC ACID, K(+)-insensitive pyrophosphate-energized proton pump, MAGNESIUM ION, ... | | Authors: | Strauss, J, Wilkinson, C, Vidilaseris, K, Ribeiro, O, Liu, J, Hillier, J, Malinen, A, Gehl, B, Jeuken, L.C, Pearson, A.R, Goldman, A. | | Deposit date: | 2022-09-16 | | Release date: | 2024-01-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.84 Å) | | Cite: | Functional and structural asymmetry suggest a unifying principle for catalysis in membrane-bound pyrophosphatases.
Embo Rep., 25, 2024
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8IEI
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8IEQ
 | | Cryo-EM structure of G-protein free GPR156 | | Descriptor: | Probable G-protein coupled receptor 156, [(2R)-3-[(E)-hexadec-9-enoyl]oxy-2-octadecanoyloxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate | | Authors: | Shin, J, Park, J, Cho, Y. | | Deposit date: | 2023-02-15 | | Release date: | 2024-02-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | Constitutive activation mechanism of a class C GPCR.
Nat.Struct.Mol.Biol., 31, 2024
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8CD9
 | | Cathepsin B1 from Schistosoma mansoni in complex with gallinamide analog 6 | | Descriptor: | 1,2-ETHANEDIOL, Cathepsin B-like peptidase (C01 family), SODIUM ION, ... | | Authors: | Rubesova, P, Brynda, J, Fanfrlik, J, Gerwick, W.H, Mares, M. | | Deposit date: | 2023-01-30 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Nature-Inspired Gallinamides Are Potent Antischistosomal Agents: Inhibition of the Cathepsin B1 Protease Target and Binding Mode Analysis.
Acs Infect Dis., 10, 2024
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5JR9
 | | Crystal structure of apo-NeC3PO | | Descriptor: | NEQ131 | | Authors: | Zhang, J, Gan, J. | | Deposit date: | 2016-05-06 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
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5K32
 | | PDE4D crystal structure in complex with small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ... | | Authors: | Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J. | | Deposit date: | 2016-05-19 | | Release date: | 2017-03-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
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8V02
 | | AaegOR10 structure bound to o-cresol | | Descriptor: | Odorant receptor OR10, Odorant receptor Orco, o-cresol | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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8V3D
 | | AgamOR28 structure bound to 2,4,5-trimethylthiazole | | Descriptor: | 2,4,5-trimethyl-1,3-thiazole, OR28, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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8V00
 | | AaegOR10 apo structure | | Descriptor: | Odorant receptor OR10, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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8V3C
 | | AgamOR28 structure without ligand | | Descriptor: | OR28, Odorant receptor Orco | | Authors: | Zhao, J, del Marmol, J. | | Deposit date: | 2023-11-27 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Structural basis of odor sensing by insect heteromeric odorant receptors.
Science, 384, 2024
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5JRE
 | | Crystal structure of NeC3PO in complex with ssDNA. | | Descriptor: | 9-METHYL-9H-PURIN-6-AMINE, ADENINE, NEQ131, ... | | Authors: | Gan, J, Zhang, J. | | Deposit date: | 2016-05-06 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for single-stranded RNA recognition and cleavage by C3PO
Nucleic Acids Res., 44, 2016
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8P1O
 | | Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives | | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | | Authors: | Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A. | | Deposit date: | 2023-05-12 | | Release date: | 2024-01-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
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3C2G
 | | Crystal complex of SYS-1/POP-1 at 2.5A resolution | | Descriptor: | Pop-1 8-residue peptide, Sys-1 protein | | Authors: | Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W. | | Deposit date: | 2008-01-24 | | Release date: | 2008-05-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The C. elegans SYS-1 protein is a bona fide beta-catenin.
Dev.Cell, 14, 2008
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6TFV
 | | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2019-11-14 | | Release date: | 2020-09-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach.
J.Med.Chem., 63, 2020
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5JWA
 | | the structure of malaria PfNDH2 | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ... | | Authors: | Yu, Y, Yang, Y.Q, Li, X.L, Yu, J, Ge, J.P, Li, J, Rao, Y, Yang, M.J. | | Deposit date: | 2016-05-11 | | Release date: | 2017-03-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.162 Å) | | Cite: | Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria
J. Med. Chem., 60, 2017
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3C2H
 | | Crystal Structure of SYS-1 at 2.6A resolution | | Descriptor: | CITRATE ANION, GLYCEROL, Sys-1 protein | | Authors: | Liu, J, Phillips, B.T, Amaya, M.F, Kimble, J, Xu, W. | | Deposit date: | 2008-01-25 | | Release date: | 2008-05-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The C. elegans SYS-1 protein is a bona fide beta-catenin.
Dev.Cell, 14, 2008
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