7TZX
 
 | | The crystal structure of WT CYP199A4 bound to 4-chloromethylbenzoic acid | | Descriptor: | 4-(chloromethyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... | | Authors: | Podgorski, M.N, Scaffidi-Muta, J, Bell, S.G. | | Deposit date: | 2022-02-16 | | Release date: | 2023-03-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.414 Å) | | Cite: | Cytochrome P450-catalyzed oxidation of halogen-containing substrates.
J.Inorg.Biochem., 244, 2023
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7YXW
 | | Structure of the p22phox A200G mutant in complex with p47phox peptide | | Descriptor: | Cytochrome b-245 light chain, Neutrophil cytosol factor 1 | | Authors: | Cukier, C.D, Vuillard, L.M, Komjati, B, Szlavik, Z. | | Deposit date: | 2022-02-16 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Targeting NOX2 via p47/phox-p22/phox Inhibition with Novel Triproline Mimetics
Acs Med.Chem.Lett., 13, 2022
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7YXU
 | | Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. | | Descriptor: | MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... | | Authors: | Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. | | Deposit date: | 2022-02-16 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies.
Mol.Cancer Ther., 22, 2023
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7YXF
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | | Descriptor: | 1-(2-piperazin-1-ylethyl)-5-pyridin-4-yl-indole, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Snee, M, Katariya, M, Levy, C, Leys, D. | | Deposit date: | 2022-02-16 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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7WYG
 | | Crystal structure of P450BSbeta-L78I/Q85H/G290I variant in complex with palmitic acid. | | Descriptor: | Cytochrome P450 152A1, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | Authors: | Li, F, He, C, Wang, X. | | Deposit date: | 2022-02-16 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biocatalytic Enantioselective beta-Hydroxylation of Unactivated C-H Bonds in Aliphatic Carboxylic Acids.
Angew.Chem.Int.Ed.Engl., 61, 2022
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7TZ6
 | | Structure of mitochondrial bc1 in complex with ck-2-68 | | Descriptor: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | | Authors: | Xia, D, Esser, L, Zhou, F, Huang, R. | | Deposit date: | 2022-02-15 | | Release date: | 2023-02-22 | | Last modified: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.88 Å) | | Cite: | Structure of complex III with bound antimalarial agent CK-2-68 provides insights into selective inhibition of Plasmodium cytochrome bc 1 complexes.
J.Biol.Chem., 299, 2023
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7YXA
 | | XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ... | | Authors: | Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | | Deposit date: | 2022-02-15 | | Release date: | 2022-08-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
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7TZF
 | | Human Amylin3 Receptor in complex with Gs and rat amylin peptide | | Descriptor: | (2S)-2-{[(1R)-1-hydroxyhexadecyl]oxy}-3-{[(1R)-1-hydroxyoctadecyl]oxy}propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M. | | Deposit date: | 2022-02-15 | | Release date: | 2022-03-23 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | A structural basis for amylin receptor phenotype.
Science, 375, 2022
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7TZ7
 | | PI3K alpha in complex with an inhibitor | | Descriptor: | (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one, Isoform 3 of Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Knapp, M.S, Tang, J. | | Deposit date: | 2022-02-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.
J.Med.Chem., 65, 2022
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7WXU
 | | GPR110/Gq complex | | Descriptor: | Adhesion G-protein coupled receptor F1, 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: | He, Y, Zhu, X. | | Deposit date: | 2022-02-15 | | Release date: | 2022-09-28 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
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7WY0
 | | GPR110/G13 complex | | Descriptor: | Adhesion G-protein coupled receptor F1, Engineered G alpha 13 subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | He, Y, Zhu, X. | | Deposit date: | 2022-02-15 | | Release date: | 2022-09-28 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
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7WXW
 | | GPR110/Gs complex | | Descriptor: | Adhesion G-protein coupled receptor F1, Engineered mini Galpha-s subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | He, Y, Zhu, X. | | Deposit date: | 2022-02-15 | | Release date: | 2022-09-28 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structural basis of adhesion GPCR GPR110 activation by stalk peptide and G-proteins coupling.
Nat Commun, 13, 2022
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7TZK
 | | EPS8 SH3 Domain with NleH1 PxxDY Motif | | Descriptor: | Epidermal growth factor receptor kinase substrate 8, T3SS secreted effector NleH homolog | | Authors: | Grishin, A.M, Cygler, M. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Targeting of microvillus protein Eps8 by the NleH effector kinases from enteropathogenic E. coli
Proc.Natl.Acad.Sci.USA, 119, 2022
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7WY5
 | | ADGRL3/Gq 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling.
Mol.Cell, 82, 2022
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7WYB
 | | ADGRL3/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-1, ... | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and G q , G s , G i , and G 12 coupling.
Mol.Cell, 82, 2022
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7WY8
 | | ADGRL3/Gs 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, Isoform 3 of Adhesion G protein-coupled receptor L3, ... | | Authors: | He, Y, Qian, Y. | | Deposit date: | 2022-02-15 | | Release date: | 2022-10-26 | | Last modified: | 2022-11-30 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Structural insights into adhesion GPCR ADGRL3 activation and Gq, Gs, Gi, and G12 coupling
Mol.Cell, 82, 2022
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7WY3
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87V Mutant Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY4
 | | Structure of the CYP102A1 F87A Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY2
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WY1
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
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7WXS
 | | Lysozyme protected by polyacrylamide gel | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Muroyama, H, Tomoike, F, Nagae, T, Okada, T. | | Deposit date: | 2022-02-15 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Post-crystallization protection of protein crystals by polyacrylamide
To Be Published
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7TYO
 | | Calcitonin receptor in complex with Gs and human calcitonin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin, ... | | Authors: | Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-23 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | A structural basis for amylin receptor phenotype.
Science, 375, 2022
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7TYY
 | | Human Amylin2 Receptor in complex with Gs and salmon calcitonin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ... | | Authors: | Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-23 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A structural basis for amylin receptor phenotype.
Science, 375, 2022
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7TYW
 | | Human Amylin1 Receptor in complex with Gs and salmon calcitonin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ... | | Authors: | Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-23 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | A structural basis for amylin receptor phenotype.
Science, 375, 2022
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7TYX
 | | Human Amylin2 Receptor in complex with Gs and rat amylin peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Calcitonin receptor, ... | | Authors: | Cao, J, Belousoff, M.J, Johnson, R.M, Wootten, D.L, Sexton, P.M. | | Deposit date: | 2022-02-14 | | Release date: | 2022-03-30 | | Last modified: | 2022-04-06 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | A structural basis for amylin receptor phenotype.
Science, 375, 2022
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