7YJH
| Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Dong, S, Chen, J, Jiang, Y, Cong, Z, Feng, Y. | Deposit date: | 2022-07-20 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Regiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules. Angew.Chem.Int.Ed.Engl., 62, 2023
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8AG1
| Crystal structure of a novel OX40 antibody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ... | Authors: | Gao, H, Zhou, A. | Deposit date: | 2022-07-19 | Release date: | 2023-07-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.303 Å) | Cite: | Structural Basis of a Novel Agonistic Anti-OX40 Antibody. Biomolecules, 12, 2022
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8DQT
| Human PDK1 kinase domain in complex with Valsartan | Descriptor: | (2~{S})-3-methyl-2-[pentanoyl-[[4-[2-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL | Authors: | Gross, L.Z.F, Klinke, S, Biondi, R.M. | Deposit date: | 2022-07-19 | Release date: | 2023-06-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Modulation of the substrate specificity of the kinase PDK1 by distinct conformations of the full-length protein. Sci.Signal., 16, 2023
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7YJ4
| Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi 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(i) subunit alpha-2, ... | Authors: | Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W. | Deposit date: | 2022-07-19 | Release date: | 2023-03-01 | Method: | ELECTRON MICROSCOPY (3.19 Å) | Cite: | Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4). Nat Commun, 14, 2023
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7YJD
| Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | Descriptor: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | Authors: | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | Deposit date: | 2022-07-19 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine To Be Published
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8AFR
| Pim1 in complex with 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid and Pimtide | Descriptor: | 4-((6-hydroxybenzofuran-3-yl)methyl)benzoic acid, Pimtide, Serine/threonine-protein kinase pim-1 | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2022-07-18 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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8AFO
| Structure of fibronectin 2 and 3 of L1CAM at 2.0 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neural cell adhesion molecule L1 | Authors: | Guedez, G, Loew, C. | Deposit date: | 2022-07-18 | Release date: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | X-ray structure and function of fibronectin domains two and three of the neural cell adhesion molecule L1. Faseb J., 37, 2023
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7YIT
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8AFP
| Structure of fibronectin 2 and 3 of L1CAM at 3.0 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neural cell adhesion molecule L1 | Authors: | Guedez, G, Loew, C. | Deposit date: | 2022-07-18 | Release date: | 2023-03-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray structure and function of fibronectin domains two and three of the neural cell adhesion molecule L1. Faseb J., 37, 2023
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8DPX
| Preligand association structure of DR5 | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | Authors: | Du, G, Zhao, L, Chou, J.J. | Deposit date: | 2022-07-17 | Release date: | 2023-02-15 | Method: | SOLUTION NMR | Cite: | Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation. Cell Res., 33, 2023
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8DPU
| The crystal structure of the IL-11 signalling complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | Authors: | Metcalfe, R.D, Aizel, K, Griffin, M.D.W. | Deposit date: | 2022-07-17 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant. Nat Commun, 14, 2023
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8DPS
| The structure of the interleukin 11 signalling complex, truncated gp130 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | Authors: | Metcalfe, R.D, Hanssen, E, Griffin, M.D.W. | Deposit date: | 2022-07-17 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant. Nat Commun, 14, 2023
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8DPT
| The structure of the IL-11 signalling complex, with full-length extracellular gp130 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-11, ... | Authors: | Metcalfe, R.D, Hanssen, E, Griffin, M.D.W. | Deposit date: | 2022-07-17 | Release date: | 2023-11-29 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of the interleukin 11 signalling complex reveal gp130 dynamics and the inhibitory mechanism of a cytokine variant. Nat Commun, 14, 2023
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8AFC
| CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | Descriptor: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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8AFB
| CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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8AFD
| CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | Descriptor: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | Authors: | Boettcher, J, Kessler, D. | Deposit date: | 2022-07-16 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.633 Å) | Cite: | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
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7YIJ
| Human KCNH5 pore dilation but the non-conducting state | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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7YIG
| Human KCNH5 pre-open state 2 | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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7YIE
| Human KCNH5-closed state 2 | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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7YIH
| Human KCNH5 open state | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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7YIF
| Human KCNH5 pre-open state 1 | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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7YID
| Human KCNH5 closed state 1 | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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8AF0
| Crystal structure of human angiogenin and RNA duplex | Descriptor: | Angiogenin, GLYCEROL, RNA (5'-R(*GP*CP*CP*CP*GP*CP*CP*UP*GP*UP*CP*AP*CP*GP*CP*GP*GP*GP*C)-3') | Authors: | Sievers, K, Ficner, R. | Deposit date: | 2022-07-15 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structure of angiogenin dimer bound to double-stranded RNA. Acta Crystallogr.,Sect.F, 78, 2022
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8DPG
| Cryo-EM structure of the 5HT2C receptor (INI isoform) bound to psilocin | Descriptor: | 3-[2-(dimethylamino)ethyl]-1~{H}-indol-4-ol, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ... | Authors: | Gumpper, R.H, Fay, J.F, Roth, B.L. | Deposit date: | 2022-07-15 | Release date: | 2022-08-24 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors. Cell Rep, 40, 2022
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8DPI
| Cryo-EM structure of the 5HT2C receptor (VSV isoform) bound to lorcaserin | Descriptor: | (1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 5-hydroxytryptamine receptor 2C, Antibody fragment scFv16, ... | Authors: | Gumpper, R.H, Fay, J.F, Roth, B.L. | Deposit date: | 2022-07-15 | Release date: | 2022-08-24 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Molecular insights into the regulation of constitutive activity by RNA editing of 5HT 2C serotonin receptors. Cell Rep, 40, 2022
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