8TDQ
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![BU of 8tdq by Molmil](/molmil-images/mine/8tdq) | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
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8TDP
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![BU of 8tdp by Molmil](/molmil-images/mine/8tdp) | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | Deposit date: | 2023-07-04 | Release date: | 2023-11-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121. J.Am.Chem.Soc., 145, 2023
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8SWE
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![BU of 8swe by Molmil](/molmil-images/mine/8swe) | FGFR2 Kinase Domain Bound to Reversible Inhibitor Cmpd 3 | Descriptor: | Fibroblast growth factor receptor 2, GLUTATHIONE, GLYCEROL, ... | Authors: | Valverde, R, Foster, L. | Deposit date: | 2023-05-18 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
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7CLI
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![BU of 7cli by Molmil](/molmil-images/mine/7cli) | Structure of NF-kB p52 homodimer bound to P-Selectin kB DNA fragment | Descriptor: | DNA (5'-D(*CP*AP*AP*GP*GP*GP*GP*TP*CP*AP*CP*CP*CP*CP*CP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*GP*GP*GP*GP*GP*TP*GP*AP*CP*CP*CP*CP*TP*TP*G)-3'), Nuclear factor NF-kappa-B p52 subunit | Authors: | Meshcheryakov, V.A, Wang, V.Y.-F. | Deposit date: | 2020-07-21 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of NF-kappa B p52 homodimer-DNA complexes rationalize binding mechanisms and transcription activation. Elife, 12, 2023
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8W4J
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7E0M
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![BU of 7e0m by Molmil](/molmil-images/mine/7e0m) | Crystal structure of phospholipase D | Descriptor: | Phospholipase, SULFATE ION | Authors: | Wang, F.H. | Deposit date: | 2021-01-28 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of a Phospholipase D from the Plant-Associated Bacteria Serratia plymuthica Strain AS9 Reveals a Unique Arrangement of Catalytic Pocket. Int J Mol Sci, 22, 2021
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8U1F
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![BU of 8u1f by Molmil](/molmil-images/mine/8u1f) | FGFR2 Kinase Domain Bound to Irreversible Inhibitor Cmpd 10 | Descriptor: | Fibroblast growth factor receptor 2, GLYCEROL, N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide, ... | Authors: | Valverde, R, Foster, L. | Deposit date: | 2023-08-31 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.33 Å) | Cite: | Discovery of lirafugratinib (RLY-4008), a highly selective irreversible small-molecule inhibitor of FGFR2. Proc.Natl.Acad.Sci.USA, 121, 2024
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6JQF
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![BU of 6jqf by Molmil](/molmil-images/mine/6jqf) | |
8XON
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![BU of 8xon by Molmil](/molmil-images/mine/8xon) | |
8XOP
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![BU of 8xop by Molmil](/molmil-images/mine/8xop) | |
8XOO
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![BU of 8xoo by Molmil](/molmil-images/mine/8xoo) | |
8XN4
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![BU of 8xn4 by Molmil](/molmil-images/mine/8xn4) | |
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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7X1R
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![BU of 7x1r by Molmil](/molmil-images/mine/7x1r) | Cryo-EM structure of human thioredoxin reductase bound by Au | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ... | Authors: | He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y. | Deposit date: | 2022-02-24 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189 Nano Today, 47, 2022
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8HJD
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![BU of 8hjd by Molmil](/molmil-images/mine/8hjd) | |
8HJC
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![BU of 8hjc by Molmil](/molmil-images/mine/8hjc) | |
8HIJ
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![BU of 8hij by Molmil](/molmil-images/mine/8hij) | The 5-MTHF-bound BRIL-SLC19A1/Fab/Nb ternary complex | Descriptor: | Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ... | Authors: | Zhang, Z, Dang, Y. | Deposit date: | 2022-11-20 | Release date: | 2022-12-21 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1. Cell Discov, 8, 2022
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8HIK
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![BU of 8hik by Molmil](/molmil-images/mine/8hik) | The TPP-bound BRIL-SLC19A1/Fab/Nb ternary complex | Descriptor: | Anti-BRIL Fab heavy chain, Anti-BRIL Fab light chain, Anti-Fab nanobody, ... | Authors: | Zhang, Z, Dang, Y. | Deposit date: | 2022-11-20 | Release date: | 2022-12-21 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1. Cell Discov, 8, 2022
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8HII
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![BU of 8hii by Molmil](/molmil-images/mine/8hii) | The BRIL-SLC19A1/Fab/Nb ternary complex | Descriptor: | BRIL-SLC19A1 chimera, anti-BRIL Fab heavy chain, anti-BRIL Fab light chain, ... | Authors: | Zhang, Z, Dang, Y. | Deposit date: | 2022-11-20 | Release date: | 2022-12-21 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.57 Å) | Cite: | Molecular mechanism of substrate recognition by folate transporter SLC19A1. Cell Discov, 8, 2022
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7VS4
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![BU of 7vs4 by Molmil](/molmil-images/mine/7vs4) | Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | Authors: | Zhu, J, Gao, P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems. Nat Commun, 13, 2022
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7VRU
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![BU of 7vru by Molmil](/molmil-images/mine/7vru) | Crystal structure of PacII_M1M2S-DNA-SAH complex | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | Authors: | Zhu, J, Gao, P. | Deposit date: | 2021-10-25 | Release date: | 2022-11-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems. Nat Commun, 13, 2022
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7XAC
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7XBL
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![BU of 7xbl by Molmil](/molmil-images/mine/7xbl) | |