6HVS
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![BU of 6hvs by Molmil](/molmil-images/mine/6hvs) | Yeast 20S proteasome with human beta2i (1-53) in complex with 18 | Descriptor: | (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6HWB
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![BU of 6hwb by Molmil](/molmil-images/mine/6hwb) | Yeast 20S proteasome in complex with 44b | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-(4-cyclohexylcyclohexyl)-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ium-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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7P9N
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![BU of 7p9n by Molmil](/molmil-images/mine/7p9n) | Crystal structure of CD73 in complex with AMP in the open form | Descriptor: | 5'-nucleotidase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ... | Authors: | Scaletti, E.R, Strater, N. | Deposit date: | 2021-07-27 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives. Purinergic Signal, 17, 2021
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7P9R
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![BU of 7p9r by Molmil](/molmil-images/mine/7p9r) | Crystal structure of CD73 in complex with GMP in the open form | Descriptor: | 5'-nucleotidase, CALCIUM ION, GLYCEROL, ... | Authors: | Scaletti, E.R, Strater, N. | Deposit date: | 2021-07-27 | Release date: | 2021-10-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Substrate binding modes of purine and pyrimidine nucleotides to human ecto-5'-nucleotidase (CD73) and inhibition by their bisphosphonic acid derivatives. Purinergic Signal, 17, 2021
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7PBY
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![BU of 7pby by Molmil](/molmil-images/mine/7pby) | |
6W3B
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![BU of 6w3b by Molmil](/molmil-images/mine/6w3b) | Structure of apo unphosphorylated IRE1 | Descriptor: | Serine/threonine-protein kinase/endoribonuclease IRE1 | Authors: | Wallweber, H, Mortara, K, Ferri, E, Rudolph, J, Wang, W. | Deposit date: | 2020-03-09 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
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5YQ7
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![BU of 5yq7 by Molmil](/molmil-images/mine/5yq7) | Cryo-EM structure of the RC-LH core complex from Roseiflexus castenholzii | Descriptor: | 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, BACTERIOCHLOROPHYLL A, ... | Authors: | Shi, Y, Xin, Y.Y, Niu, T.X, Wang, Q.Q, Niu, W.Q, Huang, X.J, Ding, W, Blankenship, R.E, Xu, X.L, Sun, F. | Deposit date: | 2017-11-05 | Release date: | 2018-05-02 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the RC-LH core complex from an early branching photosynthetic prokaryote. Nat Commun, 9, 2018
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6MK7
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![BU of 6mk7 by Molmil](/molmil-images/mine/6mk7) | Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae | Descriptor: | Cell division protein FtsX | Authors: | Edmonds, K.A, Fu, Y, Wu, H, Rued, B.E, Bruce, K.E, Winkler, M.E, Giedroc, D.P. | Deposit date: | 2018-09-25 | Release date: | 2019-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae. MBio, 10, 2019
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6HML
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![BU of 6hml by Molmil](/molmil-images/mine/6hml) | POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299 | Descriptor: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Barkauskaite, E. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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8B2E
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![BU of 8b2e by Molmil](/molmil-images/mine/8b2e) | Muramidase from Kionochaeta sp natural catalytic core | Descriptor: | CADMIUM ION, Muramidase | Authors: | Moroz, O.V, Blagova, E, Lebedev, A.A, Skov, L.K, Pache, R.A, Schnorr, K.M, Kiemer, L, Nymand-Grarup, S, Ming, L, Ye, L, Klausen, M, Cohn, M.T, Schmidt, E.G.W, Davies, G.J, Wilson, K.S. | Deposit date: | 2022-09-13 | Release date: | 2023-07-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Module walking using an SH3-like cell-wall-binding domain leads to a new GH184 family of muramidases. Acta Crystallogr D Struct Biol, 79, 2023
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6XHM
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![BU of 6xhm by Molmil](/molmil-images/mine/6xhm) | Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | Authors: | Gajiwala, K.S, Ferre, R.A, Ryan, K, Stewart, A.E. | Deposit date: | 2020-06-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.406 Å) | Cite: | Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19. J.Med.Chem., 63, 2020
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1SAC
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![BU of 1sac by Molmil](/molmil-images/mine/1sac) | THE STRUCTURE OF PENTAMERIC HUMAN SERUM AMYLOID P COMPONENT | Descriptor: | ACETIC ACID, CALCIUM ION, SERUM AMYLOID P COMPONENT | Authors: | White, H.E, Emsley, J, O'Hara, B.P, Oliva, G, Srinivasan, N, Tickle, I.J, Blundell, T.L, Pepys, M.B, Wood, S.P. | Deposit date: | 1994-01-27 | Release date: | 1994-05-31 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of pentameric human serum amyloid P component. Nature, 367, 1994
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6HAX
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![BU of 6hax by Molmil](/molmil-images/mine/6hax) | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | Deposit date: | 2018-08-09 | Release date: | 2019-06-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
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6XYD
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![BU of 6xyd by Molmil](/molmil-images/mine/6xyd) | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Roske, Y, Heinemann, U, Andrea, E.D. | Deposit date: | 2020-01-30 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structure of Q4D6Q6, a conserved kinetoplastid-specific protein from Trypanosoma cruzi. J.Struct.Biol., 211, 2020
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6XUR
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![BU of 6xur by Molmil](/molmil-images/mine/6xur) | RNA dodecamer with a 6-hydrazino-2-aminopurine modified base | Descriptor: | MAGNESIUM ION, RNA dodecamer with a 6-hydrazino-2-aminopurine modified base | Authors: | Ennifar, E, Micura, R, Gasser, C, Brillet, K. | Deposit date: | 2020-01-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Thioguanosine Conversion Enables mRNA-Lifetime Evaluation by RNA Sequencing Using Double Metabolic Labeling (TUC-seq DUAL). Angew.Chem.Int.Ed.Engl., 59, 2020
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7RL5
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![BU of 7rl5 by Molmil](/molmil-images/mine/7rl5) | Yeast CTP Synthase (URA8) filament bound to CTP at low pH | Descriptor: | CTP synthase, CYTIDINE-5'-TRIPHOSPHATE | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-23 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
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6HTC
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![BU of 6htc by Molmil](/molmil-images/mine/6htc) | Yeast 20S proteasome with human beta2c (S171G) in complex with ONX 0914 | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-03 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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7RL0
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![BU of 7rl0 by Molmil](/molmil-images/mine/7rl0) | Yeast CTP Synthase (URA8) Filament bound to ATP/UTP at low pH | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase, MAGNESIUM ION, ... | Authors: | Hansen, J.M, Lynch, E.M, Farrell, D.P, DiMaio, F, Quispe, J, Kollman, J.M. | Deposit date: | 2021-07-22 | Release date: | 2021-11-24 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of CTP synthase filaments reveal mechanism of pH-sensitive assembly during budding yeast starvation. Elife, 10, 2021
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6HW0
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![BU of 6hw0 by Molmil](/molmil-images/mine/6hw0) | Yeast 20S proteasome in complex with 7 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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8AV8
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![BU of 8av8 by Molmil](/molmil-images/mine/8av8) | Small molecular stabilizer for ERalpha and 14-3-3 (1075300) | Descriptor: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-(1-phenoxycyclopentyl)carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | Authors: | Visser, E.J, Vandenboorn, E.M.F, Ottmann, C. | Deposit date: | 2022-08-26 | Release date: | 2023-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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4YB7
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![BU of 4yb7 by Molmil](/molmil-images/mine/4yb7) | Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni in complex with ATP | Descriptor: | ACETIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ATP phosphoribosyltransferase, ... | Authors: | Mittelstaedt, G, Moggre, G.-J, Parker, E.J. | Deposit date: | 2015-02-18 | Release date: | 2016-03-09 | Last modified: | 2018-09-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Campylobacter jejuni adenosine triphosphate phosphoribosyltransferase is an active hexamer that is allosterically controlled by the twisting of a regulatory tail. Protein Sci., 25, 2016
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7TS0
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![BU of 7ts0 by Molmil](/molmil-images/mine/7ts0) | Cryo-EM structure of corticotropin releasing factor receptor 2 bound to Urocortin 1 and coupled with heterotrimeric Go protein | Descriptor: | Corticotropin-releasing factor receptor 2,Corticotropin-releasing factor receptor 2,Corticotropin-releasing factor receptor 2,Corticotropin-releasing factor receptor 2,Human corticotropin releasing factor receptor 2, Dominant negative Go alpha subunit, G protein gamma subunit, ... | Authors: | Zhao, L.-H, Lin, J, Mao, C, Zhou, X.E, Ji, S, Shen, D, Xiao, P, Melcher, K, Zhang, Y, Yu, X, Xu, H.E. | Deposit date: | 2022-01-31 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure insights into selective coupling of G protein subtypes by a class B G protein-coupled receptor. Nat Commun, 13, 2022
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7TRY
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![BU of 7try by Molmil](/molmil-images/mine/7try) | Cryo-EM structure of corticotropin releasing factor receptor 2 bound to Urocortin 1 and coupled with heterotrimeric G11 protein | Descriptor: | Corticotropin-releasing factor receptor 2, G protein gamma subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, L.-H, Lin, J, Mao, C, Zhou, X.E, Ji, S, Shen, D, Xiao, P, Melcher, K, Zhang, Y, Yu, X, Xu, H.E. | Deposit date: | 2022-01-31 | Release date: | 2022-11-09 | Last modified: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure insights into selective coupling of G protein subtypes by a class B G protein-coupled receptor. Nat Commun, 13, 2022
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6Z8X
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![BU of 6z8x by Molmil](/molmil-images/mine/6z8x) | X-ray structure of the complex between human alpha thrombin and a thrombin binding aptamer variant (TBA-3Leu), which contains leucyl amide in the side chain of Thy3 at N3. | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, Prothrombin, ... | Authors: | Troisi, R, Timofeev, E.N, Sica, F. | Deposit date: | 2020-06-02 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Expanding the recognition interface of the thrombin-binding aptamer HD1 through modification of residues T3 and T12. Mol Ther Nucleic Acids, 23, 2021
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7U5J
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![BU of 7u5j by Molmil](/molmil-images/mine/7u5j) | Cryo-EM Structure of ALDOA | Descriptor: | Fructose-bisphosphate aldolase | Authors: | Morgan, C.E, Zhang, Z, Yu, E.W. | Deposit date: | 2022-03-02 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Toward structural-omics of the bovine retinal pigment epithelium. Cell Rep, 41, 2022
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