8XGK
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![BU of 8xgk by Molmil](/molmil-images/mine/8xgk) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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8XGC
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![BU of 8xgc by Molmil](/molmil-images/mine/8xgc) | Structure of yeast replisome associated with FACT and histone hexamer, Composite map | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ... | Authors: | Li, N, Gao, Y, Yu, D, Gao, N, Zhai, Y. | Deposit date: | 2023-12-15 | Release date: | 2024-02-14 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Parental histone transfer caught at the replication fork. Nature, 627, 2024
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8XGV
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![BU of 8xgv by Molmil](/molmil-images/mine/8xgv) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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8RHK
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![BU of 8rhk by Molmil](/molmil-images/mine/8rhk) | Yeast 20S proteasome in complex with a linear oxindole epoxyketone (compound 6) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RHL
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![BU of 8rhl by Molmil](/molmil-images/mine/8rhl) | Yeast 20S proteasome in complex with a linear biarylether epoxyketone (compound 15a) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Linear biarylether epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RHJ
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![BU of 8rhj by Molmil](/molmil-images/mine/8rhj) | Yeast 20S proteasome in complex with a macrocyclic oxindole epoxyketone (compound 5) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Macrocyclic oxindole epoxyketone, ... | Authors: | Goetz, M.G, Godwin, K, Price, R, Dorn, R, Merrill-Steskal, G, Hansen, H, Klemmer, W, Produturi, G, Rocha, M, Palmer, M, Molacek, L, Strater, Z, Groll, M. | Deposit date: | 2023-12-15 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Macrocyclic Oxindole Peptide Epoxyketones-A Comparative Study of Macrocyclic Inhibitors of the 20S Proteasome. Acs Med.Chem.Lett., 15, 2024
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8RGR
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![BU of 8rgr by Molmil](/molmil-images/mine/8rgr) | Closed Complex I from murine liver | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-12-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RGP
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![BU of 8rgp by Molmil](/molmil-images/mine/8rgp) | Closed Complex I from murine brain | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-12-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RGT
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![BU of 8rgt by Molmil](/molmil-images/mine/8rgt) | Open Complex I from murine brain | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-12-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8RGQ
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![BU of 8rgq by Molmil](/molmil-images/mine/8rgq) | Open Complex I from murine liver | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Vercellino, I, Sazanov, L.A. | Deposit date: | 2023-12-14 | Release date: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | SCAF1 drives the compositional diversity of mammalian respirasomes. Nat.Struct.Mol.Biol., 2024
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8XF2
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![BU of 8xf2 by Molmil](/molmil-images/mine/8xf2) | Crystal structure of the reassembled C-phycocyanin hexamer from Thermoleptolyngbya sp. O-77 | Descriptor: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHOSPHATE ION, ... | Authors: | Nguyen, H.K, Teramoto, T, Kakuta, Y, Yoon, K.S. | Deposit date: | 2023-12-13 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Disassembly and reassembly of the non-conventional thermophilic C-phycocyanin. J.Biosci.Bioeng., 137, 2024
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8XF0
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![BU of 8xf0 by Molmil](/molmil-images/mine/8xf0) | Crystal structure of the dissociated C-phycocyanin alpha-chain from Thermoleptolyngbya sp. O-77 | Descriptor: | C-phycocyanin alpha chain, MAGNESIUM ION, PHYCOCYANOBILIN | Authors: | Nguyen, H.K, Teramoto, T, Kakuta, Y, Yoon, K.S. | Deposit date: | 2023-12-13 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Disassembly and reassembly of the non-conventional thermophilic C-phycocyanin. J.Biosci.Bioeng., 137, 2024
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8RGE
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![BU of 8rge by Molmil](/molmil-images/mine/8rge) | Serial synchrotron in plate room temperature structure of Lysozyme. | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Thompson, A.J, Hough, M.A, Sanchez-Weatherby, J, Williams, L.J, Sandy, J, Worrall, J.A.R. | Deposit date: | 2023-12-13 | Release date: | 2023-12-27 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Efficient in situ screening of and data collection from microcrystals in crystallization plates. Acta Crystallogr D Struct Biol, 80, 2024
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8REF
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![BU of 8ref by Molmil](/molmil-images/mine/8ref) | Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | Deposit date: | 2023-12-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
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8RDV
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![BU of 8rdv by Molmil](/molmil-images/mine/8rdv) | Cryo-EM structure of P. urativorans 70S ribosome in complex with hibernation factor Balon, mRNA and P-site tRNA (structure 2). | Descriptor: | 16S rRNA, 23S rRNA, 5S rRNA, ... | Authors: | Helena-Bueno, K, Rybak, M.Y, Gagnon, M.G, Hill, C.H, Melnikov, S.V. | Deposit date: | 2023-12-08 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A new family of bacterial ribosome hibernation factors. Nature, 626, 2024
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8V9K
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![BU of 8v9k by Molmil](/molmil-images/mine/8v9k) | Cryo-EM structure of the Mycobacterium smegmatis 70S ribosome in complex with hibernation factor Rv2629 (Balon) (Structure 5) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S2, ... | Authors: | Rybak, M.Y, Helena-Bueno, K, Hill, C.H, Melnikov, S.V, Gagnon, M.G. | Deposit date: | 2023-12-08 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A new family of bacterial ribosome hibernation factors. Nature, 626, 2024
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8V9L
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![BU of 8v9l by Molmil](/molmil-images/mine/8v9l) | Cryo-EM structure of the Mycobacterium smegmatis 70S ribosome in complex with hibernation factor Msmeg1130 (Balon) and MsmegEF-Tu(GDP) (Composite structure 6) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S2, ... | Authors: | Rybak, M.Y, Helena-Bueno, K, Hill, C.H, Melnikov, S.V, Gagnon, M.G. | Deposit date: | 2023-12-08 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A new family of bacterial ribosome hibernation factors. Nature, 626, 2024
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8V9J
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![BU of 8v9j by Molmil](/molmil-images/mine/8v9j) | Cryo-EM structure of the Mycobacterium smegmatis 70S ribosome in complex with hibernation factor Msmeg1130 (Balon) (Structure 4) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S14, ... | Authors: | Rybak, M.Y, Helena-Bueno, K, Hill, C.H, Melnikov, S.V, Gagnon, M.G. | Deposit date: | 2023-12-08 | Release date: | 2024-02-07 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | A new family of bacterial ribosome hibernation factors. Nature, 626, 2024
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8RDJ
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![BU of 8rdj by Molmil](/molmil-images/mine/8rdj) | Plastid-encoded RNA polymerase transcription elongation complex (Integrated model) | Descriptor: | DNA (81-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Webster, M.W, Pramanick, I, Vergara-Cruces, A. | Deposit date: | 2023-12-08 | Release date: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.62 Å) | Cite: | Structure of the plant plastid-encoded RNA polymerase. Cell, 187, 2024
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8V9H
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![BU of 8v9h by Molmil](/molmil-images/mine/8v9h) | GES-5-NA-1-157 complex | Descriptor: | (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2023-12-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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8V9G
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![BU of 8v9g by Molmil](/molmil-images/mine/8v9g) | GES-5-meropenem complex | Descriptor: | (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, IODIDE ION, ... | Authors: | Smith, C.A, Stewart, N.K, Vakulenko, S.B. | Deposit date: | 2023-12-08 | Release date: | 2024-04-03 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Restricted Rotational Flexibility of the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the GES-5 Carbapenemase. Acs Infect Dis., 10, 2024
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8V9I
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![BU of 8v9i by Molmil](/molmil-images/mine/8v9i) | 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Deinococcus radiodurans with D-phenylalanine-derived triazole acetylphosphonate (D-PheTrAP) bound | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, 2-HYDROXY BUTANE-1,4-DIOL, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-[(S)-(2-{1-[(1R)-1-carboxy-2-phenylethyl]-1H-1,2,3-triazol-4-yl}ethoxy)(hydroxy)phosphoryl]-1-hydroxyethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, ... | Authors: | Chen, P.Y.-T, Drennan, C.L. | Deposit date: | 2023-12-08 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Potent Inhibition of E. coli DXP Synthase by a gem -Diaryl Bisubstrate Analog. Acs Infect Dis., 10, 2024
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8RDP
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![BU of 8rdp by Molmil](/molmil-images/mine/8rdp) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a | Descriptor: | (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDX
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![BU of 8rdx by Molmil](/molmil-images/mine/8rdx) | PGGtase I in complex with probe BAY-6092 | Descriptor: | (5~{R})-5-(2-methoxyphenyl)-9-[(2~{R})-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]-3,9-diazaspiro[5.5]undecan-2-one, CHLORIDE ION, DIPHOSPHATE, ... | Authors: | Steuber, H. | Deposit date: | 2023-12-08 | Release date: | 2024-02-14 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (3.67 Å) | Cite: | Discovery of YAP1/TAZ pathway inhibitors through phenotypic screening with potent anti-tumor activity via blockade of Rho-GTPase signaling. Cell Chem Biol, 2024
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8RDW
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![BU of 8rdw by Molmil](/molmil-images/mine/8rdw) | Cryo-EM structure of P. urativorans 70S ribosome in complex with hibernation factor Balon and EF-Tu(GDP) (structure 3). | Descriptor: | 16S rRNA, 23S rRNA, 5S rRNA, ... | Authors: | Helena-Bueno, K, Rybak, M.Y, Gagnon, M.G, Hill, C.H, Melnikov, S.V. | Deposit date: | 2023-12-08 | Release date: | 2024-02-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | A new family of bacterial ribosome hibernation factors. Nature, 626, 2024
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