8TU6
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![BU of 8tu6 by Molmil](/molmil-images/mine/8tu6) | CryoEM structure of PI3Kalpha | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Valverde, R, Shi, H, Holliday, M. | Deposit date: | 2023-08-15 | Release date: | 2023-11-15 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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8TSD
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![BU of 8tsd by Molmil](/molmil-images/mine/8tsd) | Human PI3K p85alpha/p110alpha bound to RLY-2608 | Descriptor: | N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Holliday, M, Tang, Y, Bulku, A, Wilbur, J, Fraser, J. | Deposit date: | 2023-08-11 | Release date: | 2023-11-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery and Clinical Proof-of-Concept of RLY-2608, a First-in-Class Mutant-Selective Allosteric PI3K alpha Inhibitor That Decouples Antitumor Activity from Hyperinsulinemia. Cancer Discov, 14, 2024
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7WEA
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![BU of 7wea by Molmil](/molmil-images/mine/7wea) | |
7WE8
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![BU of 7we8 by Molmil](/molmil-images/mine/7we8) | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv265 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 265, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2021-12-23 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
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7WEC
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![BU of 7wec by Molmil](/molmil-images/mine/7wec) | |
7WE9
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![BU of 7we9 by Molmil](/molmil-images/mine/7we9) | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv289 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2021-12-23 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
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7WEF
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![BU of 7wef by Molmil](/molmil-images/mine/7wef) | |
7WE7
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![BU of 7we7 by Molmil](/molmil-images/mine/7we7) | SARS-CoV-2 Omicron variant spike protein in complex with Fab XGv282 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 282, ... | Authors: | Wang, X, Wang, L. | Deposit date: | 2021-12-23 | Release date: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Memory B cell repertoire from triple vaccinees against diverse SARS-CoV-2 variants. Nature, 603, 2022
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7WEE
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![BU of 7wee by Molmil](/molmil-images/mine/7wee) | |
7WEB
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![BU of 7web by Molmil](/molmil-images/mine/7web) | |
8IFF
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![BU of 8iff by Molmil](/molmil-images/mine/8iff) | Cryo-EM structure of Arabidopsis phytochrome A. | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | Authors: | Ma, L, Zhou, C, Wang, J, Guan, Z, Yin, P. | Deposit date: | 2023-02-17 | Release date: | 2023-08-02 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Plant phytochrome A in the Pr state assembles as an asymmetric dimer. Cell Res., 33, 2023
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7CH5
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![BU of 7ch5 by Molmil](/molmil-images/mine/7ch5) | |
7WLC
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![BU of 7wlc by Molmil](/molmil-images/mine/7wlc) | |
7WED
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![BU of 7wed by Molmil](/molmil-images/mine/7wed) | |
7CH4
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![BU of 7ch4 by Molmil](/molmil-images/mine/7ch4) | |
8JVA
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![BU of 8jva by Molmil](/molmil-images/mine/8jva) | Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ... | Authors: | Liu, B, Liu, H.H, Han, P, Qi, J.X. | Deposit date: | 2023-06-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain. Signal Transduct Target Ther, 9, 2024
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8BXY
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![BU of 8bxy by Molmil](/molmil-images/mine/8bxy) | FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group | Descriptor: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | Authors: | Bridot, C, Bouckaert, J, Krammer, E.-M. | Deposit date: | 2022-12-11 | Release date: | 2023-04-12 | Last modified: | 2023-04-26 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem., 299, 2023
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8BY3
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![BU of 8by3 by Molmil](/molmil-images/mine/8by3) | FimH lectin domain in complex with oligomannose-6 | Descriptor: | NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ... | Authors: | Bouckaert, J, Bourenkov, G.P. | Deposit date: | 2022-12-11 | Release date: | 2023-04-12 | Last modified: | 2023-04-26 | Method: | X-RAY DIFFRACTION (3.186 Å) | Cite: | Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors. J.Biol.Chem., 299, 2023
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8BVD
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![BU of 8bvd by Molmil](/molmil-images/mine/8bvd) | FimH lectin domain in complex with mannose C-linked to quinoline | Descriptor: | (2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(E)-3-quinolin-6-ylprop-2-enyl]oxane-3,4,5-triol, Type 1 fimbrin D-mannose specific adhesin | Authors: | Bouckaert, J, Bridot, C. | Deposit date: | 2022-12-03 | Release date: | 2023-02-15 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (2.995 Å) | Cite: | Insightful Improvement in the Design of Potent Uropathogenic E. coli FimH Antagonists. Pharmaceutics, 15, 2023
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7C8K
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![BU of 7c8k by Molmil](/molmil-images/mine/7c8k) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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2IAM
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![BU of 2iam by Molmil](/molmil-images/mine/2iam) | Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | Descriptor: | 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ... | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | Deposit date: | 2006-09-08 | Release date: | 2007-04-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor Nat.Immunol., 8, 2007
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2IAN
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![BU of 2ian by Molmil](/molmil-images/mine/2ian) | Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | Descriptor: | 15-mer peptide from Triosephosphate isomerase, CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain, ... | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | Deposit date: | 2006-09-08 | Release date: | 2007-04-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor Nat.Immunol., 8, 2007
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2IAL
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![BU of 2ial by Molmil](/molmil-images/mine/2ial) | Structural basis for recognition of mutant self by a tumor-specific, MHC class II-restricted TCR | Descriptor: | CD4+ T cell receptor E8 alpha chain, CD4+ T cell receptor E8 beta chain | Authors: | Deng, L, Langley, R.J, Mariuzza, R.A. | Deposit date: | 2006-09-08 | Release date: | 2007-04-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis for the recognition of mutant self by a tumor-specific, MHC class II-restricted T cell receptor Nat.Immunol., 8, 2007
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7C83
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![BU of 7c83 by Molmil](/molmil-images/mine/7c83) | Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-oxo-5-alpha-steroid 4-dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Ren, R.B, Han, Y.F, Xiao, Q.J, Deng, D. | Deposit date: | 2020-05-28 | Release date: | 2021-01-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of steroid reductase SRD5A reveals conserved steroid reduction mechanism. Nat Commun, 12, 2021
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7C8J
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![BU of 7c8j by Molmil](/molmil-images/mine/7c8j) | Structural basis for cross-species recognition of COVID-19 virus spike receptor binding domain to bat ACE2 | Descriptor: | Angiotensin-converting enzyme, SARS-CoV-2 Receptor binding domain, ZINC ION | Authors: | Liu, K.F, Wang, J, Tan, S.G, Niu, S, Wu, L.L, Zhang, Y.F, Pan, X.Q, Meng, Y.M, Chen, Q, Wang, Q.H, Wang, H.W, Qi, J.X, Gao, G.F. | Deposit date: | 2020-06-01 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Cross-species recognition of SARS-CoV-2 to bat ACE2. Proc.Natl.Acad.Sci.USA, 118, 2021
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