8V3K
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![BU of 8v3k by Molmil](/molmil-images/mine/8v3k) | F95S-F198S epi-Isozizaene Synthase: complex with 3 Mg2+, inorganic pyrophosphate, and benzyl triethyl ammonium cation | Descriptor: | DIPHOSPHATE, Epi-isozizaene synthase, GLYCEROL, ... | Authors: | Christianson, D.W, Eaton, S.A. | Deposit date: | 2023-11-28 | Release date: | 2024-01-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Structure-Based Engineering of a Sesquiterpene Cyclase to Generate an Alcohol Product: Conversion of epi -Isozizaene Synthase into alpha-Bisabolol Synthase. Biochemistry, 63, 2024
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8V38
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8V3B
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8V31
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8V2Y
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![BU of 8v2y by Molmil](/molmil-images/mine/8v2y) | Room temperature X-ray Crystal Structure of FMN-bound long-chain flavodoxin from Rhodopseudomonas palustris | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin | Authors: | Ansari, A, Khan, S.A, Miller, A.F. | Deposit date: | 2023-11-24 | Release date: | 2024-03-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structure, dynamics, and redox reactivity of an all-purpose flavodoxin. J.Biol.Chem., 300, 2024
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8R7G
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![BU of 8r7g by Molmil](/molmil-images/mine/8r7g) | Crystal structure of the kinase domain of ACVR1 (ALK2) with M4K2234 | Descriptor: | 2-fluoranyl-6-methoxy-4-[4-methyl-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridin-3-yl]benzamide, Activin receptor type I | Authors: | Williams, E.P, Cros, J, Ensan, D, Smil, D, Edwards, A.M, O'Meara, J.A, Fernandez-Cid, A, Isaac, M.B, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-11-24 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma. J.Med.Chem., 63, 2020
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8V2N
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![BU of 8v2n by Molmil](/molmil-images/mine/8v2n) | Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLN-PRO-LYS-FDL, NAD-dependent protein deacetylase sirtuin-3, ... | Authors: | Chakrabarti, R, Ghosh, A, Guan, X, Upadhyay, A, Dumpati, R.K, Munshi, S, Roy, S, Chall, S, Rahnamoun, A, Reverdy, C, Errasti, G, Delacroix, T. | Deposit date: | 2023-11-23 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Computationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion biorxiv, 2023
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8R74
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![BU of 8r74 by Molmil](/molmil-images/mine/8r74) | Galectin-1 in complex with thiogalactoside derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-(2-oxidanyl-1,3-thiazol-4-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-1 | Authors: | Hakansson, M, Diehl, C, Peterson, K, Zetterberg, F, Nilsson, U. | Deposit date: | 2023-11-23 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of the Selective and Orally Available Galectin-1 Inhibitor GB1908 as a Potential Treatment for Lung Cancer. J.Med.Chem., 67, 2024
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8R6W
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![BU of 8r6w by Molmil](/molmil-images/mine/8r6w) | Structure of the SFTSV L protein in a transcription-priming state with bound capped RNA [TRANSCRIPTION-PRIMING] | Descriptor: | RNA (5'-R(*(M7G)*AP*AP*A)-3'), RNA (5'-R(*AP*CP*AP*C)-3'), RNA (5'-R(*AP*CP*AP*CP*AP*GP*AP*GP*AP*CP*GP*CP*CP*CP*AP*G)-3'), ... | Authors: | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | Deposit date: | 2023-11-23 | Release date: | 2024-04-24 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural snapshots of phenuivirus cap-snatching and transcription. Nucleic Acids Res., 52, 2024
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8R6Y
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![BU of 8r6y by Molmil](/molmil-images/mine/8r6y) | Structure of the SFTSV L protein stalled in a transcription-specific early elongation state with bound capped RNA [TRANSCRIPTION-EARLY-ELONGATION] | Descriptor: | 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, MAGNESIUM ION, RNA (5'-R(*(M7G)*AP*AP*A)-3'), ... | Authors: | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | Deposit date: | 2023-11-23 | Release date: | 2024-04-24 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural snapshots of phenuivirus cap-snatching and transcription. Nucleic Acids Res., 52, 2024
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8R6U
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![BU of 8r6u by Molmil](/molmil-images/mine/8r6u) | Structure of the SFTSV L protein in a transcription-priming state without capped RNA [TRANSCRIPTION-PRIMING (in vitro)] | Descriptor: | MAGNESIUM ION, RNA (5'-R(P*CP*UP*GP*GP*GP*CP*GP*GP*UP*CP*UP*UP*UP*GP*UP*GP*U)-3'), RNA primer, ... | Authors: | Williams, H.M, Thorkelsson, S.R, Vogel, D, Busch, C, Milewski, M, Cusack, S, Grunewald, K, Quemin, E.R.J, Rosenthal, M. | Deposit date: | 2023-11-23 | Release date: | 2024-04-24 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Structural snapshots of phenuivirus cap-snatching and transcription. Nucleic Acids Res., 52, 2024
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8V2D
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![BU of 8v2d by Molmil](/molmil-images/mine/8v2d) | Computational Designed Nanocage O43_129 | Descriptor: | O43_129 component A, O43_129 component B | Authors: | Weidle, C, Kibler, R.D. | Deposit date: | 2023-11-22 | Release date: | 2024-03-13 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (6.77 Å) | Cite: | Blueprinting extendable nanomaterials with standardized protein blocks. Nature, 627, 2024
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8R6F
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![BU of 8r6f by Molmil](/molmil-images/mine/8r6f) | CryoEM structure of wheat 40S ribosomal subunit, body domain | Descriptor: | 30S ribosomal protein S11, chloroplastic, 30S ribosomal protein S4, ... | Authors: | Kravchenko, O.V, Baymukhametov, T.N, Afonina, Z.A, Vasilenko, K.S. | Deposit date: | 2023-11-22 | Release date: | 2023-12-27 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.34 Å) | Cite: | High-Resolution Structure and Internal Mobility of a Plant 40S Ribosomal Subunit. Int J Mol Sci, 24, 2023
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8V2E
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8R6S
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![BU of 8r6s by Molmil](/molmil-images/mine/8r6s) | Plastid-encoded RNA polymerase (Integrated model) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-11-22 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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8X6M
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![BU of 8x6m by Molmil](/molmil-images/mine/8x6m) | Crystal Structure of Glycerol Dehydrogenase in the Presence of NAD+ and Glycerol | Descriptor: | GLYCEROL, Glycerol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Park, T, Kang, J.Y, Jin, M, Yang, J, Kim, H, Noh, C, Eom, S.H. | Deposit date: | 2023-11-21 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into the octamerization of glycerol dehydrogenase. Plos One, 19, 2024
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8X6G
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![BU of 8x6g by Molmil](/molmil-images/mine/8x6g) | Cryo-EM structure of Staphylococcus aureus sigB-dependent RNAP-promoter open complex | Descriptor: | DNA (70-mer), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Yuan, L, Xu, L, Liu, Q, Feng, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of promoter recognition by Staphylococcus aureus RNA polymerase. Nat Commun, 15, 2024
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8X6F
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![BU of 8x6f by Molmil](/molmil-images/mine/8x6f) | Cryo-EM structure of Staphylococcus aureus sigA-dependent RNAP-promoter open complex | Descriptor: | DNA (71-mer), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Yuan, L, Xu, L, Liu, Q, Feng, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of promoter recognition by Staphylococcus aureus RNA polymerase. Nat Commun, 15, 2024
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8R67
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![BU of 8r67 by Molmil](/molmil-images/mine/8r67) | tubulin-cryptophycin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ... | Authors: | Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E. | Deposit date: | 2023-11-21 | Release date: | 2024-05-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop. J.Biol.Chem., 300, 2024
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8X6P
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![BU of 8x6p by Molmil](/molmil-images/mine/8x6p) | Isomerase Protein | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION | Authors: | Guven, O, Demirci, H. | Deposit date: | 2023-11-21 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Isomerase Protein To Be Published
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8X6R
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![BU of 8x6r by Molmil](/molmil-images/mine/8x6r) | KRasG12C in complex with inhibitor | Descriptor: | 1-[7-[6-ethenyl-8-ethoxy-7-(5-methyl-1~{H}-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | Authors: | Amano, Y, Tateishi, Y. | Deposit date: | 2023-11-21 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of ASP6918, a KRAS G12C inhibitor: Synthesis and structure-activity relationships of 1-{2,7-diazaspiro[3.5]non-2-yl}prop-2-en-1-one derivatives as covalent inhibitors with good potency and oral activity for the treatment of solid tumors. Bioorg.Med.Chem., 98, 2023
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8V1L
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8R62
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![BU of 8r62 by Molmil](/molmil-images/mine/8r62) | Solution structure of Risdiplam bound to the RNA duplex formed upon 5'-splice site recognition | Descriptor: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Malard, F, Campagne, S. | Deposit date: | 2023-11-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design. Nucleic Acids Res., 52, 2024
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8R65
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![BU of 8r65 by Molmil](/molmil-images/mine/8r65) | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide with ordered PB2 C-terminal domains | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)-3'), ... | Authors: | Keown, J.R, Carrique, L, Fodor, E, Grimes, J.M. | Deposit date: | 2023-11-20 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.23 Å) | Cite: | 1918 H1N1 Viral polymerase heterotrimer in complex with 4 repeat serine-5 phosphorylated PolII peptide with ordered PB2 C-terminal domains To Be Published
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8R63
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![BU of 8r63 by Molmil](/molmil-images/mine/8r63) | Solution structure of branaplam bound to the RNA duplex formed upon 5'-splice site recognition | Descriptor: | 5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol, RNA (5'-R(*AP*UP*AP*CP*(PSU)P*(PSU)P*AP*CP*CP*UP*G)-3'), RNA (5'-R(P*GP*GP*AP*GP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Malard, F, Campagne, S. | Deposit date: | 2023-11-20 | Release date: | 2024-03-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The diversity of splicing modifiers acting on A-1 bulged 5'-splice sites reveals rules for rational drug design. Nucleic Acids Res., 52, 2024
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