8AM0
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![BU of 8am0 by Molmil](/molmil-images/mine/8am0) | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | Descriptor: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Goncalves, M, Johnson, J.L, Roewer, K.M. | Deposit date: | 2022-08-02 | Release date: | 2023-12-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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6IUO
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![BU of 6iuo by Molmil](/molmil-images/mine/6iuo) | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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6ITJ
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![BU of 6itj by Molmil](/molmil-images/mine/6itj) | Crystal structure of FGFR1 kinase domain in complex with compound 3 | Descriptor: | 4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one, Fibroblast growth factor receptor 1 | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.994 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
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7S8W
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![BU of 7s8w by Molmil](/molmil-images/mine/7s8w) | Amycolatopsis sp. T-1-60 N-succinylamino acid racemase/o-succinylbenzoate synthase R266Q mutant in complex with N-succinylphenylglycine | Descriptor: | MAGNESIUM ION, N-succinyl-L-phenylglycine, N-succinylamino acid racemase/O-succinylbenzoate synthase, ... | Authors: | Truong, D.P, Rousseau, S, Sacchettini, J.C, Glasner, M.E. | Deposit date: | 2021-09-20 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Second-Shell Amino Acid R266 Helps Determine N -Succinylamino Acid Racemase Reaction Specificity in Promiscuous N -Succinylamino Acid Racemase/ o -Succinylbenzoate Synthase Enzymes. Biochemistry, 60, 2021
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4Y2I
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![BU of 4y2i by Molmil](/molmil-images/mine/4y2i) | Gold ion bound to GolB | Descriptor: | GOLD ION, Putative metal-binding transport protein | Authors: | Wei, W, Wang, F, Ma, L, Zhao, J. | Deposit date: | 2015-02-10 | Release date: | 2016-02-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB J.Am.Chem.Soc., 137, 2015
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4Y2K
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![BU of 4y2k by Molmil](/molmil-images/mine/4y2k) | reduced form of apo-GolB | Descriptor: | Putative metal-binding transport protein | Authors: | Wei, W, Wang, F, Ma, L, Zhao, J. | Deposit date: | 2015-02-10 | Release date: | 2016-02-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB J.Am.Chem.Soc., 137, 2015
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4Y2M
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![BU of 4y2m by Molmil](/molmil-images/mine/4y2m) | apo-GolB protein | Descriptor: | GOLD ION, Putative metal-binding transport protein | Authors: | Wei, W, Zhao, J, Wang, F. | Deposit date: | 2015-02-10 | Release date: | 2016-02-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB J.Am.Chem.Soc., 137, 2015
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6XKI
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![BU of 6xki by Molmil](/molmil-images/mine/6xki) | Crystal structure of eIF4A-I in complex with RNA bound to des-MePateA, a pateamine A analog | Descriptor: | (3S,6Z,8E,11S,15R)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trien-1-yl]-9,11-dimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione, Eukaryotic initiation factor 4A-I, MAGNESIUM ION, ... | Authors: | Liang, J, Naineni, S.K, Pelletier, J, Nagar, B. | Deposit date: | 2020-06-26 | Release date: | 2021-01-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Functional mimicry revealed by the crystal structure of an eIF4A:RNA complex bound to the interfacial inhibitor, desmethyl pateamine A. Cell Chem Biol, 28, 2021
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8X1N
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![BU of 8x1n by Molmil](/molmil-images/mine/8x1n) | Cryo-EM structure of human alpha-fetoprotein | Descriptor: | Alpha-fetoprotein, PALMITIC ACID, ZINC ION, ... | Authors: | Liu, Z.M, Li, M.S, Wu, C, Liu, K. | Deposit date: | 2023-11-08 | Release date: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.31 Å) | Cite: | Structural characteristics of alpha-fetoprotein, including N-glycosylation, metal ion and fatty acid binding sites. Commun Biol, 7, 2024
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6R2M
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![BU of 6r2m by Molmil](/molmil-images/mine/6r2m) | Crystal structure of PssZ from Listeria monocytogenes | Descriptor: | Glycoside transferase | Authors: | Wu, H, Cheng, J, Qiao, S, Li, D, Ma, L. | Deposit date: | 2019-03-18 | Release date: | 2019-07-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.617 Å) | Cite: | Crystal structure of the glycoside hydrolase PssZ from Listeria monocytogenes. Acta Crystallogr.,Sect.F, 75, 2019
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4ZN9
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![BU of 4zn9 by Molmil](/molmil-images/mine/4zn9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) | Descriptor: | Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | Deposit date: | 2015-05-04 | Release date: | 2015-09-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.215 Å) | Cite: | Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem, 7, 2012
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8HN6
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![BU of 8hn6 by Molmil](/molmil-images/mine/8hn6) | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | Descriptor: | Heavy chain of monoclonal antibody 3G10, Light chain of monoclonal antibody 3G10, Spike protein S1 | Authors: | Qi, J, Chen, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-05-17 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
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8HN7
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![BU of 8hn7 by Molmil](/molmil-images/mine/8hn7) | Crystal structure of monoclonal antibody complexed with SARS-CoV-2 RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of monoclonal antibody 3C11, Light chain of monoclonal antibody 3C11, ... | Authors: | Qi, J, Chen, Y. | Deposit date: | 2022-12-07 | Release date: | 2023-05-17 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Characterization of RBD-specific cross-neutralizing antibodies responses against SARS-CoV-2 variants from COVID-19 convalescents. Front Immunol, 14, 2023
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8XY7
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![BU of 8xy7 by Molmil](/molmil-images/mine/8xy7) | hPhK alpha-gamma subcomplex in active state | Descriptor: | FARNESYL, Phosphorylase b kinase gamma catalytic chain, skeletal muscle/heart isoform, ... | Authors: | Yang, X.K, Xiao, J.Y. | Deposit date: | 2024-01-19 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Architecture and activation of human muscle phosphorylase kinase. Nat Commun, 15, 2024
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8XYB
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![BU of 8xyb by Molmil](/molmil-images/mine/8xyb) | hPhK gamma-delta subcomplex in inactive state | Descriptor: | Calmodulin-1, FARNESYL, Phosphorylase b kinase gamma catalytic chain, ... | Authors: | Yang, X.K, Xiao, J.Y. | Deposit date: | 2024-01-19 | Release date: | 2024-04-03 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Architecture and activation of human muscle phosphorylase kinase. Nat Commun, 15, 2024
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8XYA
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![BU of 8xya by Molmil](/molmil-images/mine/8xya) | |
7FCP
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7FCQ
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![BU of 7fcq by Molmil](/molmil-images/mine/7fcq) | |
6JQ9
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![BU of 6jq9 by Molmil](/molmil-images/mine/6jq9) | Crystal structure of a lyase from Alteromonas sp. | Descriptor: | CALCIUM ION, SULFATE ION, Short ulvan lyase | Authors: | Qin, H.M, Guo, Q.Q. | Deposit date: | 2019-03-29 | Release date: | 2020-04-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Biochemical characterization and structural analysis of ulvan lyase from marine Alteromonas sp. reveals the basis for its salt tolerance. Int.J.Biol.Macromol., 147, 2020
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7YFK
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![BU of 7yfk by Molmil](/molmil-images/mine/7yfk) | The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin | Descriptor: | Nomilin, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 | Authors: | Xia, Y, Yao, D, Huang, C, Cao, Y. | Deposit date: | 2022-07-08 | Release date: | 2023-06-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Pregnane X receptor agonist nomilin extends lifespan and healthspan in preclinical models through detoxification functions. Nat Commun, 14, 2023
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7DSJ
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7DSM
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7DSO
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![BU of 7dso by Molmil](/molmil-images/mine/7dso) | |
7DSR
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7DSP
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![BU of 7dsp by Molmil](/molmil-images/mine/7dsp) | |