7XFH
| Structure of nucleosome-AAG complex (A-30I, post-catalytic state) | Descriptor: | DNA (152-MER), DNA-3-methyladenine glycosylase, Histone H2A type 1, ... | Authors: | Zheng, L, Tsai, B, Gao, N. | Deposit date: | 2022-04-01 | Release date: | 2023-04-19 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome. Cell Discov, 9, 2023
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7XFC
| Structure of nucleosome-DI complex (-30I, Apo state) | Descriptor: | DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Zheng, L, Tsai, B, Gao, N. | Deposit date: | 2022-04-01 | Release date: | 2023-04-19 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome. Cell Discov, 9, 2023
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7XFI
| Structure of nucleosome-DI complex (-50I, Apo state) | Descriptor: | DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Zheng, L, Tsai, B, Gao, N. | Deposit date: | 2022-04-01 | Release date: | 2023-04-19 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome. Cell Discov, 9, 2023
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7XKA
| Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7X1Y
| Structure of the phosphorylation-site double mutant S431A/T432A of the KaiC circadian clock protein | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock oscillator protein KaiC, MAGNESIUM ION | Authors: | Han, X, Zhang, D.L, Hong, L, Yu, D.Q, Wu, Z.L, Yang, T, Rust, M.J, Tu, Y.H, Ouyang, Q. | Deposit date: | 2022-02-25 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Determining subunit-subunit interaction from statistics of cryo-EM images: observation of nearest-neighbor coupling in a circadian clock protein complex Nat Commun, 14, 2023
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7XK9
| Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
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7XM0
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7XNP
| Structure of nucleosome-AAG complex (A-55I, post-catalytic state) | Descriptor: | DNA (152-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Zheng, L, Tsai, B, Gao, N. | Deposit date: | 2022-04-29 | Release date: | 2023-05-03 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome. Cell Discov, 9, 2023
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7XBA
| Glutathione S-transferase bound with a covalent inhibitor | Descriptor: | 3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid, GLUTATHIONE, Glutathione S-transferase P | Authors: | Jiang, L.L, Zhou, L. | Deposit date: | 2022-03-21 | Release date: | 2023-09-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Glutathione S-transferase bound with a covalent inhibitor To Be Published
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7XB7
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7XB8
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7XB9
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7XFJ
| Structure of nucleosome-AAG complex (T-50I, post-catalytic state) | Descriptor: | DNA (152-MER), DNA-3-methyladenine glycosylase, Histone H2A type 1, ... | Authors: | Zheng, L, Tsai, B, Gao, N. | Deposit date: | 2022-04-01 | Release date: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural and mechanistic insights into the DNA glycosylase AAG-mediated base excision in nucleosome. Cell Discov, 9, 2023
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7XVN
| Structural basis for DNA recognition feature of retinoid-related orphan receptors | Descriptor: | DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ... | Authors: | Chen, Y, Jiang, L. | Deposit date: | 2022-05-24 | Release date: | 2023-11-29 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma. Structure, 32, 2024
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7N3T
| TrkA ECD complex with designed miniprotein ligand | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jude, K.M, Cao, L, Garcia, K.C. | Deposit date: | 2021-06-01 | Release date: | 2022-04-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
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5Y9Q
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8F4Y
| Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
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8F4S
| Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2022-11-11 | Release date: | 2023-10-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors. Acs Infect Dis., 9, 2023
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5YMS
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5FTO
| Crystal structure of the ALK kinase domain in complex with Entrectinib | Descriptor: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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8F6D
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3B6E
| Crystal structure of human DECH-box RNA Helicase MDA5 (Melanoma differentiation-associated protein 5), DECH-domain | Descriptor: | Interferon-induced helicase C domain-containing protein 1, SODIUM ION | Authors: | Karlberg, T, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Lehtio, L, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-29 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Human DECH-box RNA Helicase MDA5 (Melanoma differentiation-associated protein 5), DECH-domain. To be Published
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2G4F
| Structure of S.olivaceoviridis xylanase Q88A/R275A mutant | Descriptor: | Hydrolase | Authors: | Diertavitian, S, Kaneko, S, Fujimoto, Z, Kuno, A, Johansson, E, Lo Leggio, L. | Deposit date: | 2006-02-22 | Release date: | 2007-03-06 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-based engineering of glucose specificity in a family 10 xylanase from Streptomyces olivaceoviridis E-86 PROCESS BIOCHEM, 47, 2012
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1Y92
| Crystal structure of the P19A/N67D Variant Of Bovine seminal Ribonuclease | Descriptor: | Seminal ribonuclease | Authors: | Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L. | Deposit date: | 2004-12-14 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE. J.Biol.Chem., 280, 2005
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1Y94
| Crystal structure of the G16S/N17T/P19A/S20A/N67D Variant Of Bovine seminal Ribonuclease | Descriptor: | Seminal ribonuclease | Authors: | Picone, D, Di Fiore, A, Ercole, C, Franzese, M, Sica, F, Tomaselli, S, Mazzarella, L. | Deposit date: | 2004-12-14 | Release date: | 2004-12-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of the Hinge Loop in Domain Swapping: THE SPECIAL CASE OF BOVINE SEMINAL RIBONUCLEASE. J.Biol.Chem., 280, 2005
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