7CYM
| Crystal structure of LI-Cadherin EC1-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Caaveiro, J.M.M, Yui, A, Tsumoto, K. | Deposit date: | 2020-09-03 | Release date: | 2021-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of dimerization and structural features of human LI-cadherin. J.Biol.Chem., 297, 2021
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7AA5
| Human TRPV4 structure in presence of 4a-PDD | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily V member 4,Green fluorescent protein | Authors: | Botte, M, Ulrich, A.K.G, Adaixo, R, Gnutt, D, Brockmann, A, Bucher, D, Chami, M, Bocquet, M, Ebbinghaus-Kintscher, U, Puetter, V, Becker, A, Egner, U, Stahlberg, H, Hennig, M, Holton, S.J. | Deposit date: | 2020-09-03 | Release date: | 2021-08-18 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | Cryo-EM structural studies of the agonist complexed human TRPV4 ion-channel reveals novel structural rearrangements resulting in an open-conformation To Be Published
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7AA1
| Structural comparison of cellular retinoic acid binding proteins I and II in the presence and absence of natural and synthetic ligands | Descriptor: | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 2 | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallogr D Struct Biol, 77, 2021
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7A9Z
| Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | Descriptor: | 4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid, Cellular retinoic acid-binding protein 1 | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallogr D Struct Biol, 77, 2021
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7AA0
| Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | Descriptor: | (~{E})-3-[4-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)phenyl]prop-2-enoic acid, Cellular retinoic acid-binding protein 2 | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallogr D Struct Biol, 77, 2021
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7A9Y
| Structural comparison of cellular retinoic acid binding protein I and II in the presence and absence of natural and synthetic ligands | Descriptor: | Cellular retinoic acid-binding protein 1, GLYCEROL, MYRISTIC ACID, ... | Authors: | Tomlinson, C.W.E, Cornish, K.A.S, Pohl, E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Structure-functional relationship of cellular retinoic acid-binding proteins I and II interacting with natural and synthetic ligands. Acta Crystallogr D Struct Biol, 77, 2021
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7A9K
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7A9F
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7A9M
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7JZV
| Cryo-EM structure of the BRCA1-UbcH5c/BARD1 E3-E2 module bound to a nucleosome | Descriptor: | BRCA1,Ubiquitin-conjugating enzyme E2 D3, BRCA1-associated RING domain protein 1, Histone H2A type 2-A, ... | Authors: | Witus, S.R, Burrell, A.L, Hansen, J.M, Farrell, D.P, Dimaio, F, Kollman, J.M, Klevit, R.E. | Deposit date: | 2020-09-02 | Release date: | 2021-02-17 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1. Nat.Struct.Mol.Biol., 28, 2021
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7JZ5
| Cellular retinol-binding protein 2 (CRBP2) in complex with 1-arachodonoyl-1-thio-glycerol | Descriptor: | Retinol-binding protein 2, S-[(2R)-2,3-dihydroxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenethioate | Authors: | Silvaroli, J.A, Banarjee, S, Golczak, M. | Deposit date: | 2020-09-01 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.567 Å) | Cite: | Molecular basis for the interaction of cellular retinol binding protein 2 (CRBP2) with nonretinoid ligands. J.Lipid Res., 62, 2021
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7CX4
| Cryo-EM structure of the Evatanepag-bound EP2-Gs complex | Descriptor: | 2-[3-[[(4-~{tert}-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX3
| Cryo-EM structure of the Taprenepag-bound EP2-Gs complex | Descriptor: | 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX2
| Cryo-EM structure of the PGE2-bound EP2-Gs complex | Descriptor: | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]hept-5-enoic 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: | Qu, C, Mao, C, Xiao, P, Shen, Q, Zhong, Y, Yang, F, Shen, D, Tao, X, Zhang, H, Yan, X, Zhao, R, He, J, Guan, Y, Zhang, C, Hou, G, Zhang, P, Yu, X, Guan, Y, Sun, J, Zhang, Y. | Deposit date: | 2020-09-01 | Release date: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Ligand recognition, unconventional activation, and G protein coupling of the prostaglandin E 2 receptor EP2 subtype. Sci Adv, 7, 2021
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7CX6
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7CX8
| Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine | Descriptor: | (1R)-1,2,3,4-tetrahydronaphthalen-1-amine, (1~{S})-1,2,3,4-tetrahydronaphthalen-1-amine, (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, ... | Authors: | Stanfield, J.K, Sugimoto, H, Shoji, O. | Deposit date: | 2020-09-01 | Release date: | 2021-09-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Tetralylamine at 1.70 Angstrom Resolution To Be Published
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7JXX
| Structure of TTBK1 kinase domain in complex with Compound 3 | Descriptor: | 4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol, SODIUM ION, Tau-tubulin kinase 1 | Authors: | Chodaprambil, J.V. | Deposit date: | 2020-08-28 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo. J.Med.Chem., 64, 2021
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7JXY
| Structure of TTBK1 kinase domain in complex with Compound 18 | Descriptor: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol, Tau-tubulin kinase 1 | Authors: | Chodaprambil, J.V. | Deposit date: | 2020-08-28 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of Potent and Brain-Penetrant Tau Tubulin Kinase 1 (TTBK1) Inhibitors that Lower Tau Phosphorylation In Vivo. J.Med.Chem., 64, 2021
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7JXZ
| Structure of HbA with compound (S)-4 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JY3
| Structure of HbA with compound 23 (PF-07059013) | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JY5
| Structure of human p97 in complex with ATPgammaS and Npl4/Ufd1 (masked around p97) | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Pan, M, Yu, Y, Liu, L, Zhao, M. | Deposit date: | 2020-08-28 | Release date: | 2021-01-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Seesaw conformations of Npl4 in the human p97 complex and the inhibitory mechanism of a disulfiram derivative. Nat Commun, 12, 2021
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7JY0
| Structure of HbA with compound 9 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7A7D
| Cadherin fit into cryo-ET map | Descriptor: | Desmocollin-2, Desmoglein-2 | Authors: | Sikora, M, Ermel, U.H, Seybold, A, Kunz, M, Calloni, G, Reitz, J, Vabulas, R.M, Hummer, G, Frangakis, A.S. | Deposit date: | 2020-08-28 | Release date: | 2020-12-23 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Desmosome architecture derived from molecular dynamics simulations and cryo-electron tomography. Proc.Natl.Acad.Sci.USA, 117, 2020
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7JY1
| Structure of HbA with compound 19 | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, CARBON MONOXIDE, Hemoglobin subunit alpha, ... | Authors: | Jasti, J. | Deposit date: | 2020-08-28 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease. J.Med.Chem., 64, 2021
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7JXB
| The crystal structure of 4-(3'-methoxyphenyl)benzoic acid-bound CYP199A4 | Descriptor: | 3'-methoxy[1,1'-biphenyl]-4-carboxylic acid, CHLORIDE ION, Cytochrome P450, ... | Authors: | Doherty, D.Z, Bell, S.G, Bruning, J. | Deposit date: | 2020-08-27 | Release date: | 2022-03-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.655 Å) | Cite: | Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
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