4WWO
| Crystal structure of human PI3K-gamma in complex with phenylquinoline inhibitor N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine | Descriptor: | N-{(1S)-1-[8-chloro-2-(3-fluorophenyl)quinolin-3-yl]ethyl}-9H-purin-6-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | Deposit date: | 2014-11-11 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and in Vivo Evaluation of (S)-N-(1-(7-Fluoro-2-(pyridin-2-yl)quinolin-3-yl)ethyl)-9H-purin-6-amine (AMG319) and Related PI3K delta Inhibitors for Inflammation and Autoimmune Disease. J.Med.Chem., 58, 2015
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8INZ
| Cryo-EM structure of human HCN3 channel in apo state | Descriptor: | 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 | Authors: | Yu, B, Lu, Q.Y, Li, J, Zhang, J. | Deposit date: | 2023-03-10 | Release date: | 2024-04-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.72 Å) | Cite: | Cryo-EM structure of human HCN3 channel and its regulation by cAMP. J.Biol.Chem., 300, 2024
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8ITU
| SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG. | Descriptor: | 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X. | Deposit date: | 2023-03-23 | Release date: | 2023-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.68 Å) | Cite: | Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants. Commun Biol, 6, 2023
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6LGW
| Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH | Descriptor: | Glycoprotein, scFv 523-11 | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | Deposit date: | 2019-12-06 | Release date: | 2020-02-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9037 Å) | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody. Cell Host Microbe, 27, 2020
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6LGX
| Structure of Rabies virus glycoprotein at basic pH | Descriptor: | Glycoprotein,Glycoprotein,Glycoprotein | Authors: | Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W. | Deposit date: | 2019-12-06 | Release date: | 2020-02-19 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (3.097 Å) | Cite: | Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody. Cell Host Microbe, 27, 2020
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4X36
| Crystal structure of the autolysin LytA from Streptococcus pneumoniae TIGR4 | Descriptor: | Autolysin, CHOLINE ION, GLYCEROL, ... | Authors: | Cheng, W, Li, Q, Zhou, C.Z, Chen, Y.X. | Deposit date: | 2014-11-28 | Release date: | 2015-05-27 | Last modified: | 2015-06-24 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Full-length structure of the major autolysin LytA. Acta Crystallogr.,Sect.D, 71, 2015
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8J1V
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8J1T
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4X2A
| Crystal structure of mouse glyoxalase I complexed with baicalein | Descriptor: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION | Authors: | Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X. | Deposit date: | 2014-11-26 | Release date: | 2015-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis. Curr Top Med Chem, 16, 2016
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8Z61
| Human beta-catenin crystal structure | Descriptor: | Catenin beta-1 | Authors: | Tim, F. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Novel 1-Phenylpiperidine Urea-Containing Derivatives Inhibiting beta-Catenin/BCL9 Interaction and Exerting Antitumor Efficacy through the Activation of Antigen Presentation of cDC1 Cells. J.Med.Chem., 67, 2024
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6O95
| Structure of the IRAK4 kinase domain with compound 41 | Descriptor: | Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6ZY4
| Cryo-EM structure of MlaFEDB in complex with ADP | Descriptor: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Dong, C.J, Dong, H.H. | Deposit date: | 2020-07-30 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB. Nat.Struct.Mol.Biol., 28, 2021
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6ZY2
| Cryo-EM structure of apo MlaFEDB | Descriptor: | ABC transporter maintaining OM lipid asymmetry, cytoplasmic STAS component, Toluene tolerance protein Ttg2A, ... | Authors: | Dong, C.J, Dong, H.H. | Deposit date: | 2020-07-30 | Release date: | 2020-11-25 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into outer membrane asymmetry maintenance in Gram-negative bacteria by MlaFEDB. Nat.Struct.Mol.Biol., 28, 2021
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6O94
| Structure of the IRAK4 kinase domain with compound 17 | Descriptor: | CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Authors: | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | Deposit date: | 2019-03-13 | Release date: | 2019-05-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors. J.Med.Chem., 62, 2019
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6L2P
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4W8D
| Crystal structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06454589). | Descriptor: | 5-(1-methyl-1H-pyrazol-4-yl)-4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine, Serine/threonine-protein kinase 24 36 kDa subunit | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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4W8E
| Structure of MST3 with a pyrrolopyrimidine inhibitor (PF-06645342) | Descriptor: | 3-{4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Serine/threonine-protein kinase 24 36 kDa subunit | Authors: | Jasti, J, Song, X, Griffor, M, Kurumbail, R.G. | Deposit date: | 2014-08-24 | Release date: | 2015-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. J.Med.Chem., 58, 2015
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3BWN
| L-tryptophan aminotransferase | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, L-tryptophan aminotransferase, PHENYLALANINE, ... | Authors: | Ferrer, J.-L, Noel, J.P, Pojer, F, Bowman, M, Chory, J, Tao, Y. | Deposit date: | 2008-01-10 | Release date: | 2008-04-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rapid synthesis of auxin via a new tryptophan-dependent pathway is required for shade avoidance in plants Cell(Cambridge,Mass.), 133, 2008
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7X1G
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7X1J
| Cryo-EM structure of human BTR1 in the outward-facing state in the presence of NH4Cl. | Descriptor: | Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | Authors: | Yin, Y, Lu, Y, Zuo, P. | Deposit date: | 2022-02-24 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.84 Å) | Cite: | Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2. Nat Commun, 14, 2023
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7X1H
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7X1I
| Cryo-EM structure of human BTR1 in the outward-facing state. | Descriptor: | Isoform 1 of Solute carrier family 4 member 11, [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | Authors: | Yin, Y, Lu, Y, Zuo, P. | Deposit date: | 2022-02-24 | Release date: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Structural insights into the conformational changes of BTR1/SLC4A11 in complex with PIP 2. Nat Commun, 14, 2023
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7X8C
| Crystal structure of a KTSC family protein from Euryarchaeon Methanolobus vulcani | Descriptor: | KTSC domain-containing protein, SODIUM ION | Authors: | Zhang, Z.F, Zhu, K.L, Chen, Y.Y, Cao, P, Gong, Y. | Deposit date: | 2022-03-12 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Biochemical and structural characterization of a KTSC family single-stranded DNA-binding protein from Euryarchaea. Int.J.Biol.Macromol., 216, 2022
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8J4U
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8TS9
| Human PI3K p85alpha/p110alpha H1047R bound to compound 1 | Descriptor: | 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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