6Y3U
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![BU of 6y3u by Molmil](/molmil-images/mine/6y3u) | Crystal structure of PPARgamma in complex with compound (R)-16 | Descriptor: | (2~{R})-2-[[6-[(2,4-dichlorophenyl)sulfonylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Hanke, T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-18 | Release date: | 2020-04-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | A Selective Modulator of Peroxisome Proliferator-Activated Receptor gamma with an Unprecedented Binding Mode. J.Med.Chem., 63, 2020
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8OWJ
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![BU of 8owj by Molmil](/molmil-images/mine/8owj) | Lipidic amyloid-beta(1-40) fibril - polymorph L2-L2 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-28 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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6Y4K
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5IN3
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![BU of 5in3 by Molmil](/molmil-images/mine/5in3) | Crystal structure of glucose-1-phosphate bound nucleotidylated human galactose-1-phosphate uridylyltransferase | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, ... | Authors: | Kopec, J, McCorvie, T, Tallant, C, Velupillai, S, Shrestha, L, Fitzpatrick, F, Patel, D, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2016-03-07 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular basis of classic galactosemia from the structure of human galactose 1-phosphate uridylyltransferase. Hum.Mol.Genet., 25, 2016
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8OVM
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![BU of 8ovm by Molmil](/molmil-images/mine/8ovm) | Lipidic amyloid-beta(1-40) fibril - polymorph L2 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-26 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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1FKM
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![BU of 1fkm by Molmil](/molmil-images/mine/1fkm) | CRYSTAL STRUCTURE OF THE YPT/RAB-GAP DOMAIN OF GYP1P | Descriptor: | PROTEIN (GYP1P) | Authors: | Rak, A, Fedorov, R, Alexandrov, K, Albert, S, Goody, R.S, Gallwitz, D, Scheidig, A.J. | Deposit date: | 2000-08-09 | Release date: | 2001-02-09 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the GAP domain of Gyp1p: first insights into interaction with Ypt/Rab proteins. EMBO J., 19, 2000
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8UH5
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![BU of 8uh5 by Molmil](/molmil-images/mine/8uh5) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-06 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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6Y7M
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![BU of 6y7m by Molmil](/molmil-images/mine/6y7m) | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | Authors: | Zhang, L, Lin, D, Hilgenfeld, R. | Deposit date: | 2020-03-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors. Science, 368, 2020
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2JD4
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![BU of 2jd4 by Molmil](/molmil-images/mine/2jd4) | Mouse laminin alpha1 chain, domains LG4-5 | Descriptor: | CHLORIDE ION, LAMININ SUBUNIT ALPHA-1, MAGNESIUM ION | Authors: | Harrison, D, Hussain, S.A, Combs, A.C, Ervasti, J.M, Yurchenco, P.D, Hohenester, E. | Deposit date: | 2007-01-04 | Release date: | 2007-02-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure and Cell Surface Anchorage Sites of Laminin {Alpha}1Lg4-5. J.Biol.Chem., 282, 2007
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8OVK
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![BU of 8ovk by Molmil](/molmil-images/mine/8ovk) | Lipidic amyloid-beta(1-40) fibril - polymorph L1 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-26 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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8OWE
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![BU of 8owe by Molmil](/molmil-images/mine/8owe) | Lipidic amyloid-beta(1-40) fibril - polymorph L2-L3 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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8OWK
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![BU of 8owk by Molmil](/molmil-images/mine/8owk) | Lipidic amyloid-beta(1-40) fibril - polymorph L3-L3 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-28 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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6YEY
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![BU of 6yey by Molmil](/molmil-images/mine/6yey) | Xenorhabdus nematophila XptA1 in complex with porcine mucosa heparin | Descriptor: | A component of insecticidal toxin complex (Tc) | Authors: | Roderer, D, Broecker, F, Sitsel, O, Kaplonek, P, Leidreiter, F, Seeberger, P.H, Raunser, S. | Deposit date: | 2020-03-25 | Release date: | 2020-07-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Glycan-dependent cell adhesion mechanism of Tc toxins. Nat Commun, 11, 2020
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8UH9
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![BU of 8uh9 by Molmil](/molmil-images/mine/8uh9) | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-272 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(5-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Bulut, H, Hayashi, H, Kuwata, N, Tsuji, K, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2023-10-07 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.067 Å) | Cite: | TKB272, an Orally Available SARS-CoV-2-Mpro Inhibitor Containing 5-Fluorobenzothiazole, Potently Blocks SARS-CoV-2 Replication without Ritonavir To Be Published
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8U1U
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![BU of 8u1u by Molmil](/molmil-images/mine/8u1u) | Structure of a class A GPCR/agonist complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Sun, D, Johnson, M, Masureel, M. | Deposit date: | 2023-09-02 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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8OWD
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![BU of 8owd by Molmil](/molmil-images/mine/8owd) | Lipidic amyloid-beta(1-40) fibril - polymorph L3 | Descriptor: | Amyloid-beta A4 protein | Authors: | Frieg, B, Han, M, Giller, K, Dienemann, C, Riedel, D, Becker, S, Andreas, L.B, Griesinger, C, Schroeder, G.F. | Deposit date: | 2023-04-27 | Release date: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Cryo-EM structures of lipidic fibrils of amyloid-beta (1-40). Nat Commun, 15, 2024
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6YNK
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![BU of 6ynk by Molmil](/molmil-images/mine/6ynk) | Crystal structure of YTHDC1 with compound DHU_DC1_068 | Descriptor: | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-13 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6YNN
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![BU of 6ynn by Molmil](/molmil-images/mine/6ynn) | Crystal structure of YTHDC1 with compound DHU_DC1_135 | Descriptor: | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-14 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1. J Chem Theory Comput, 17, 2021
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8UGC
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8P2V
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![BU of 8p2v by Molmil](/molmil-images/mine/8p2v) | Neisseria meningitidis Type IV pilus SB-GATDH variant | Descriptor: | (2~{R})-~{N}-[(2~{R},3~{S},4~{S},5~{R},6~{R})-5-acetamido-2-methyl-4,6-bis(oxidanyl)oxan-3-yl]-2,3-bis(oxidanyl)propanamide, Neisseria meningitidis PilE variant SB-GATDH, SN-GLYCEROL-3-PHOSPHATE | Authors: | Fernandez-Martinez, D, Dumenil, G. | Deposit date: | 2023-05-16 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms. Nat Commun, 15, 2024
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8UPT
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![BU of 8upt by Molmil](/molmil-images/mine/8upt) | Candidatus Methanomethylophilus alvus tRNAPyl in A-site of ribosome | Descriptor: | RNA (71-MER) | Authors: | Krahn, N, Zhang, J, Melnikov, S.V, Tharp, J.M, Villa, A, Patel, A, Howard, R.J, Gabir, H, Patel, T.R, Stetefeld, J, Puglisi, J, Soll, D. | Deposit date: | 2023-10-23 | Release date: | 2024-01-10 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | tRNA shape is an identity element for an archaeal pyrrolysyl-tRNA synthetase from the human gut. Nucleic Acids Res., 52, 2024
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5IMA
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![BU of 5ima by Molmil](/molmil-images/mine/5ima) | Xanthomonas campestris Peroxiredoxin Q - Structure F2 | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | Deposit date: | 2016-03-06 | Release date: | 2016-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
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8UHB
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![BU of 8uhb by Molmil](/molmil-images/mine/8uhb) | Cryo-EM Structure of the Ro5256390-bound hTA1-Gs heterotrimer signaling complex | Descriptor: | (2R,4S)-4-[(2S)-2-phenylbutyl]-1,3-oxazolidin-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zilberg, G, Warren, A.L, Parpounas, A.K, Wacker, D. | Deposit date: | 2023-10-08 | Release date: | 2024-01-10 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Molecular basis of human trace amine-associated receptor 1 activation. Nat Commun, 15, 2024
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5IMF
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![BU of 5imf by Molmil](/molmil-images/mine/5imf) | Xanthomonas campestris Peroxiredoxin Q - Structure F5 | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | Deposit date: | 2016-03-06 | Release date: | 2016-09-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Peroxiredoxin Catalysis at Atomic Resolution. Structure, 24, 2016
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8U14
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![BU of 8u14 by Molmil](/molmil-images/mine/8u14) | Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A lysine 15 in complex with RNF168-UbcH5c (class 2) | Descriptor: | DNA (146-MER), DNA (147-MER), E3 ubiquitin-protein ligase RNF168, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, G, Mer, G. | Deposit date: | 2023-08-30 | Release date: | 2024-01-17 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Mechanisms of RNF168 nucleosome recognition and ubiquitylation. Mol.Cell, 84, 2024
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