6IBZ
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![BU of 6ibz by Molmil](/molmil-images/mine/6ibz) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | Descriptor: | 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | Authors: | Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M. | Deposit date: | 2018-12-01 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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7Z0Z
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![BU of 7z0z by Molmil](/molmil-images/mine/7z0z) | Abortive infection DNA polymerase AbiK from Lactococcus lactis, Y44F variant | Descriptor: | AbiK | Authors: | Figiel, M, Gapinska, M, Czarnocki-Cieciura, M, Zajko, W, Nowotny, M. | Deposit date: | 2022-02-24 | Release date: | 2022-09-07 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.68 Å) | Cite: | Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases. Nucleic Acids Res., 50, 2022
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5VZY
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![BU of 5vzy by Molmil](/molmil-images/mine/5vzy) | Crystal structure of crenezumab Fab in complex with Abeta | Descriptor: | Amyloid beta A4 protein, Crenezumab Fab heavy chain,Immunoglobulin gamma-1 heavy chain, Crenezumab Fab light chain,Immunoblobulin light chain | Authors: | Ultsch, M, Wang, W. | Deposit date: | 2017-05-29 | Release date: | 2017-08-09 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure of Crenezumab Complex with Abeta Shows Loss of beta-Hairpin. Sci Rep, 6, 2016
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7ZAV
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![BU of 7zav by Molmil](/molmil-images/mine/7zav) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-22 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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6AGT
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![BU of 6agt by Molmil](/molmil-images/mine/6agt) | Crystal structure of PfKRS complexed with chromone inhibitor | Descriptor: | COBALT (II) ION, FORMIC ACID, LYSINE, ... | Authors: | Yogavel, M, Sharma, A, Sharma, A, Baragana, B, Walpole, C. | Deposit date: | 2018-08-14 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7ZA1
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![BU of 7za1 by Molmil](/molmil-images/mine/7za1) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.1 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA3
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![BU of 7za3 by Molmil](/molmil-images/mine/7za3) | GPC3-Unc5D octamer structure and role in cell migration | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | Authors: | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | Deposit date: | 2022-03-21 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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8IHL
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![BU of 8ihl by Molmil](/molmil-images/mine/8ihl) | Overlapping tri-nucleosome | Descriptor: | DNA (353-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | Authors: | Nishimura, M, Fujii, T, Tanaka, H, Maehara, K, Nozawa, K, Takizawa, Y, Ohkawa, Y, Kurumizaka, H. | Deposit date: | 2023-02-23 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (7.64 Å) | Cite: | Genome-wide mapping and cryo-EM structural analyses of the overlapping tri-nucleosome composed of hexasome-hexasome-octasome moieties. Commun Biol, 7, 2024
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6RFU
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![BU of 6rfu by Molmil](/molmil-images/mine/6rfu) | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | Deposit date: | 2019-04-16 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors. Nat Commun, 11, 2020
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8IJU
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![BU of 8iju by Molmil](/molmil-images/mine/8iju) | ATP-dependent RNA helicase DDX39A (URH49delta41) | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DDX39A, PHOSPHATE ION, ... | Authors: | Mikami, B, Fujita, K, Masuda, S, Kojima, M. | Deposit date: | 2023-02-28 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural differences between the closely related RNA helicases, UAP56 and URH49, fashion distinct functional apo-complexes. Nat Commun, 15, 2024
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7S0J
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![BU of 7s0j by Molmil](/molmil-images/mine/7s0j) | Crystal structure of Epstein-Barr virus gH/gL targeting antibody 769B10 | Descriptor: | 769B10 Fab Heavy chain, 769B10 Fab Light chain, GLYCEROL | Authors: | Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G. | Deposit date: | 2021-08-30 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition. Immunity, 55, 2022
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7S1B
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![BU of 7s1b by Molmil](/molmil-images/mine/7s1b) | Crystal structure of Epstein-Barr virus glycoproteins gH/gL/gp42-peptide in complex with human neutralizing antibodies 769C2 and 770F7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 Fab heavy chain, 769C2 Fab light chain, ... | Authors: | Chen, W.-H, Cohen, J.I, Kanekiyo, M, Joyce, M.G. | Deposit date: | 2021-09-02 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition. Immunity, 55, 2022
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6URE
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![BU of 6ure by Molmil](/molmil-images/mine/6ure) | Barrier-to-autointegration factor Aqueous: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-23 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6URK
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![BU of 6urk by Molmil](/molmil-images/mine/6urk) | Barrier-to-autointegration factor soaked in Glycerol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-23 | Release date: | 2020-10-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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6USD
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![BU of 6usd by Molmil](/molmil-images/mine/6usd) | Barrier-to-autointegration factor soaked in ethanol: 1 of 14 in MSCS set | Descriptor: | Barrier-to-autointegration factor, ETHANOL | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | Deposit date: | 2019-10-25 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor. Acta Crystallogr D Struct Biol, 76, 2020
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7S07
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![BU of 7s07 by Molmil](/molmil-images/mine/7s07) | Crystal structure of Epstein-Barr virus glycoprotein gH/gL/gp42-peptide in complex with human neutralizing antibodies 769B10 and 769C2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 769B10 Fab heavy chain, 769B10 Fab light chain, ... | Authors: | Chen, W.-H, Kanekiyo, M, Cohen, J.I, Joyce, M.G. | Deposit date: | 2021-08-30 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Epstein-Barr virus gH/gL has multiple sites of vulnerability for virus neutralization and fusion inhibition. Immunity, 55, 2022
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6S69
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![BU of 6s69 by Molmil](/molmil-images/mine/6s69) | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | Descriptor: | 3-[3-(3,4-dichlorophenyl)-4-(2-phenylethylcarbamoyl)pyrazol-1-yl]propanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4 | Authors: | Sturbaut, M, Allemand, F, Guichou, J.F. | Deposit date: | 2019-07-02 | Release date: | 2020-07-22 | Last modified: | 2022-02-02 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors. Eur.J.Med.Chem., 226, 2021
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4PZ1
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![BU of 4pz1 by Molmil](/molmil-images/mine/4pz1) | Crystal structure of a sHIP (UniProt Id: Q99XU0) mutant from Streptococcus pyogenes | Descriptor: | CALCIUM ION, CHLORIDE ION, sHIP | Authors: | Wisniewska, M, Happonen, L, Frick, I.-M, Bjorck, L, Streicher, W, Malmstrom, J, Wikstrom, M. | Deposit date: | 2014-03-28 | Release date: | 2015-03-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Functional and structural properties of a novel protein and virulence factor (Protein sHIP) in Streptococcus pyogenes. J.Biol.Chem., 289, 2014
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6AMB
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![BU of 6amb by Molmil](/molmil-images/mine/6amb) | Crystal Structure of the Afadin RA1 domain in complex with HRAS | Descriptor: | Afadin, GTPase HRas, MAGNESIUM ION, ... | Authors: | Smith, M.J, Ishiyama, N, Ikura, M. | Deposit date: | 2017-08-09 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evolution of AF6-RAS association and its implications in mixed-lineage leukemia. Nat Commun, 8, 2017
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7S2I
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![BU of 7s2i by Molmil](/molmil-images/mine/7s2i) | Crystal structure of sulfonamide resistance enzyme Sul1 in complex with 6-hydroxymethylpterin | Descriptor: | 6-HYDROXYMETHYLPTERIN, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Skarina, T, Kim, Y, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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7S2J
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![BU of 7s2j by Molmil](/molmil-images/mine/7s2j) | Crystal structure of sulfonamide resistance enzyme Sul2 apoenzyme | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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7S2M
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![BU of 7s2m by Molmil](/molmil-images/mine/7s2m) | Crystal structure of sulfonamide resistance enzyme Sul3 in complex with 6-hydroxymethylpterin | Descriptor: | 6-HYDROXYMETHYLPTERIN, Sul3 | Authors: | Stogios, P.J, Skarina, T, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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7S2K
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![BU of 7s2k by Molmil](/molmil-images/mine/7s2k) | Crystal structure of sulfonamide resistance enzyme Sul2 in complex with 7,8-dihydropteroate, magnesium, and pyrophosphate | Descriptor: | 4-AMINOBENZOIC ACID, 7,8-DIHYDROPTEROATE, CHLORIDE ION, ... | Authors: | Stogios, P.J, Skarina, T, Michalska, K, Venkatesan, M, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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7S2L
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![BU of 7s2l by Molmil](/molmil-images/mine/7s2l) | Crystal structure of sulfonamide resistance enzyme Sul3 apoenzyme | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-09-03 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics. Nat Commun, 14, 2023
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6S64
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![BU of 6s64 by Molmil](/molmil-images/mine/6s64) | Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor | Descriptor: | 3-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]propanoic acid, MYRISTIC ACID, PALMITIC ACID, ... | Authors: | Sturbaut, M, Allemand, F, Guichou, J.F. | Deposit date: | 2019-07-02 | Release date: | 2020-07-22 | Last modified: | 2022-02-02 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors. Eur.J.Med.Chem., 226, 2021
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