8PAV
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![BU of 8pav by Molmil](/molmil-images/mine/8pav) | Crystal structure of MST1 with a MAP4K1 SMOL inhibitor | Descriptor: | 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ... | Authors: | Friberg, A. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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8JOO
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![BU of 8joo by Molmil](/molmil-images/mine/8joo) | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate ikarugamycin | Descriptor: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-08 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8T3W
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![BU of 8t3w by Molmil](/molmil-images/mine/8t3w) | Structure of Bre1-nucleosome complex - state2 | Descriptor: | 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... | Authors: | Zhao, F, Hicks, C.W, Wolberger, C. | Deposit date: | 2023-06-07 | Release date: | 2023-10-18 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Mechanism of histone H2B monoubiquitination by Bre1. Nat.Struct.Mol.Biol., 30, 2023
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8T3T
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![BU of 8t3t by Molmil](/molmil-images/mine/8t3t) | Structure of Bre1-nucleosome complex - state3 | Descriptor: | 601 DNA strand 1, 601 DNA strand 2, E3 ubiquitin-protein ligase BRE1, ... | Authors: | Zhao, F, Hicks, C.W, Wolberger, C. | Deposit date: | 2023-06-07 | Release date: | 2023-10-18 | Last modified: | 2023-11-22 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Mechanism of histone H2B monoubiquitination by Bre1. Nat.Struct.Mol.Biol., 30, 2023
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8T3K
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![BU of 8t3k by Molmil](/molmil-images/mine/8t3k) | |
8T3O
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![BU of 8t3o by Molmil](/molmil-images/mine/8t3o) | Cryo-EM structure of the TUG-891 bound FFA4-Gq complex | Descriptor: | (2R)-1-{[(R)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-3-(octadecanoyloxy)propan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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8T3Q
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![BU of 8t3q by Molmil](/molmil-images/mine/8t3q) | Cryo-EM structure of the DHA bound FFA4-Gq complex | Descriptor: | DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.14 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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8T3S
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![BU of 8t3s by Molmil](/molmil-images/mine/8t3s) | Cryo-EM structure of the Butyrate bound FFA2-Gq complex | Descriptor: | CHOLESTEROL, Free fatty acid receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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8T3V
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![BU of 8t3v by Molmil](/molmil-images/mine/8t3v) | Cryo-EM structure of the DHA bound FFA1-Gq complex | Descriptor: | CHOLESTEROL, DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID, Free fatty acid receptor 1, ... | Authors: | Zhang, X, Tikhonova, I, Milligan, G, Zhang, C. | Deposit date: | 2023-06-07 | Release date: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Structural basis for the ligand recognition and signaling of free fatty acid receptors. Sci Adv, 10, 2024
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8T3L
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![BU of 8t3l by Molmil](/molmil-images/mine/8t3l) | TRPV1 in nanodisc bound with 2 LPA molecules in neighboring monomers | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-06-07 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8T3M
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![BU of 8t3m by Molmil](/molmil-images/mine/8t3m) | TRPV1 in nanodisc bound with 3 LPA molecules | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Arnold, W.R, Julius, D, Cheng, Y. | Deposit date: | 2023-06-07 | Release date: | 2024-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 2024
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8JO4
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![BU of 8jo4 by Molmil](/molmil-images/mine/8jo4) | Cryo-EM structure of a Legionella effector complexed with actin and ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | Deposit date: | 2023-06-07 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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8JO3
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![BU of 8jo3 by Molmil](/molmil-images/mine/8jo3) | Cryo-EM structure of a Legionella effector complexed with actin and AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | Authors: | Zhou, X.T, Wang, X.F, Tan, J.X, Zhu, Y.Q. | Deposit date: | 2023-06-07 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Legionella effector LnaB is a phosphoryl-AMPylase that impairs phosphosignalling. Nature, 2024
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8JOH
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8T2R
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![BU of 8t2r by Molmil](/molmil-images/mine/8t2r) | Structure of a group II intron ribonucleoprotein in the pre-ligation (pre-2F) state | Descriptor: | 5'exon, AMMONIUM ION, CALCIUM ION, ... | Authors: | Xu, L, Liu, T, Chung, K, Pyle, A.M. | Deposit date: | 2023-06-06 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into intron catalysis and dynamics during splicing. Nature, 624, 2023
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8T2T
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![BU of 8t2t by Molmil](/molmil-images/mine/8t2t) | Structure of a group II intron ribonucleoprotein in the post-ligation (post-2F) state | Descriptor: | AMMONIUM ION, Group II intron reverse transcriptase/maturase, MAGNESIUM ION, ... | Authors: | Xu, L, Liu, T, Chung, K, Pyle, A.M. | Deposit date: | 2023-06-06 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into intron catalysis and dynamics during splicing. Nature, 624, 2023
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8T2S
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![BU of 8t2s by Molmil](/molmil-images/mine/8t2s) | Structure of a group II intron ribonucleoprotein in the pre-branching (pre-1F) state | Descriptor: | AMMONIUM ION, CALCIUM ION, Group II intron reverse transcriptase/maturase, ... | Authors: | Xu, L, Liu, T, Chung, K, Pyle, A.M. | Deposit date: | 2023-06-06 | Release date: | 2023-11-22 | Last modified: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into intron catalysis and dynamics during splicing. Nature, 624, 2023
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8T2H
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![BU of 8t2h by Molmil](/molmil-images/mine/8t2h) | DYRK1A complex with DYR530 | Descriptor: | (4P)-4-{(3M)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-methyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridin-2-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL, ... | Authors: | Montfort, W.R, Basantes, L.E. | Deposit date: | 2023-06-06 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of DYR684, a Potent, Selective, Metabolically Stable, DYRK1A/B PROTAC utilizing a Novel Cereblon Molecular Glue To Be Published
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8JO2
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![BU of 8jo2 by Molmil](/molmil-images/mine/8jo2) | Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA | Descriptor: | DNA (65-MER), DNA-binding transcriptional regulator BasR, DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lou, Y.-C, Huang, H.-Y, Chen, C, Wu, K.-P. | Deposit date: | 2023-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-25 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structural basis of transcriptional activation by the OmpR/PhoB-family response regulator PmrA. Nucleic Acids Res., 51, 2023
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8JNC
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![BU of 8jnc by Molmil](/molmil-images/mine/8jnc) | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-maltophilin | Descriptor: | (1Z,3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z,24S,25S)-11-ethyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-7,20,27,28-tetraone, Cytochrome P450, FORMIC ACID, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-06 | Release date: | 2023-11-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JNO
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![BU of 8jno by Molmil](/molmil-images/mine/8jno) | Crystal structure of cytochrome P450 IkaD from Streptomyces sp. ZJ306, in complex with the substrate 10-epi-deOH-HSAF | Descriptor: | (1Z,3E,5S,7S,8R,9S,10S,11R,13R,15R,16S,18Z,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.09,13.08,15.05,16]octacosa-1(2),3,18-triene-20,27,28-trione, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhang, Y.L, Zhang, L.P, Zhang, C.S. | Deposit date: | 2023-06-06 | Release date: | 2023-11-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Angew.Chem.Int.Ed.Engl., 62, 2023
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8JN8
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8JN9
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![BU of 8jn9 by Molmil](/molmil-images/mine/8jn9) | |
8P94
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![BU of 8p94 by Molmil](/molmil-images/mine/8p94) | |
8P9B
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![BU of 8p9b by Molmil](/molmil-images/mine/8p9b) | Crystal Structure of Mnk2-D228G in complex with Tinodasertib | Descriptor: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | Authors: | Turnbull, A.P, Sabin, V, Bell, C, Watson, M. | Deposit date: | 2023-06-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal Structure of Mnk2-D228G in complex with Tinodasertib To Be Published
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