8D9P
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Mn(II) cations | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2022-06-10 | Release date: | 2022-09-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rational design of photosynthetic reaction center protein maquettes. Front Mol Biosci, 9, 2022
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7UMG
| Crystal structure of human CD8aa-MR1-Ac-6-FP complex | Descriptor: | Beta-2-microglobulin, CHLORIDE ION, Major histocompatibility complex class I-related gene protein, ... | Authors: | Awad, W, Rossjohn, J. | Deposit date: | 2022-04-06 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CD8 coreceptor engagement of MR1 enhances antigen responsiveness by human MAIT and other MR1-reactive T cells. J.Exp.Med., 219, 2022
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4HZL
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5VJU
| De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions | Descriptor: | CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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5VJT
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B and Zn(II) cations | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | Authors: | Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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3VF8
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5VGO
| Bruton's tyrosine kinase (BTK) with compound G-744 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(hydroxymethyl)-3-{1-methyl-6-oxo-5-[(pyrimidin-4-yl)amino]-1,6-dihydropyridin-3-yl}phenyl]-6,6-dimethyl-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-c]pyridin-1(5H)-one, GLYCEROL, ... | Authors: | Yu, C, Eigenbrot, C. | Deposit date: | 2017-04-11 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.621 Å) | Cite: | Discovery of Potent and Selective Tricyclic Inhibitors of Bruton's Tyrosine Kinase with Improved Druglike Properties. ACS Med Chem Lett, 8, 2017
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5VJS
| De Novo Photosynthetic Reaction Center Protein Equipped with Heme B, a synthetic Zn porphyrin, and Zn(II) cations | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette, ... | Authors: | Ennist, N.M, Dutton, P.L, Stayrook, S.E, Moser, C.C. | Deposit date: | 2017-04-19 | Release date: | 2018-04-25 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | De novo protein design of photochemical reaction centers. Nat Commun, 13, 2022
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3V8W
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3V5J
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3V5L
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3V8T
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3W94
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3VF9
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7WA9
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4OTF
| Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | Descriptor: | N-{3-[6-({4-[(2R)-1,4-dimethyl-3-oxopiperazin-2-yl]phenyl}amino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl]-2-methylphenyl }-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Hymowitz, S.G, Maurer, B. | Deposit date: | 2014-02-13 | Release date: | 2015-01-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent and selective Bruton's tyrosine kinase inhibitors: Discovery of GDC-0834. Bioorg.Med.Chem.Lett., 25, 2015
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4PUZ
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4PV0
| Crystal structure of spleen tyrosine kinase (Syk) in complex with an imidazopyrazine inhibitor | Descriptor: | 4-[(3-{8-[(3,4-dimethoxyphenyl)amino]imidazo[1,2-a]pyrazin-6-yl}benzoyl)amino]benzoic acid, CHLORIDE ION, Tyrosine-protein kinase SYK | Authors: | Lansdon, E.B, Mitchell, S.A. | Deposit date: | 2014-03-14 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase. J.Med.Chem., 57, 2014
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4Q0X
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8X2I
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8X2H
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7EW7
| Cryo-EM structure of SEW2871-bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, 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: | Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
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7EW1
| Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 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, Y, Jia, G.W, Shao, Z.H, Su, Z.M. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
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7EW0
| Cryo-EM structure of ozanimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | 5-[3-[(1~{S})-1-(2-hydroxyethylamino)-2,3-dihydro-1~{H}-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxy-benzenecarbonitrile, 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, Y, Jia, G.W, Su, Z.M, Shao, Z.H. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
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7EVZ
| Cryo-EM structure of cenerimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein | Descriptor: | (2~{S})-3-[4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-phenoxy]propane-1,2-diol, 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, Y, Jia, G.W, Shao, Z.H, Su, Z.M. | Deposit date: | 2021-05-24 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition. Cell Res., 31, 2021
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