7CJG
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![BU of 7cjg by Molmil](/molmil-images/mine/7cjg) | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase | Descriptor: | 5,6-DIMETHYLBENZIMIDAZOLE, GLYCEROL, Glutamine cyclotransferase-related protein, ... | Authors: | Ruiz-Carrillo, D, Lamers, S, Feng, Q, Yu, S, Sun, B, Jiang, J, Lukman, M. | Deposit date: | 2020-07-10 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase. Biol.Chem., 402, 2021
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7CJE
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![BU of 7cje by Molmil](/molmil-images/mine/7cje) | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase | Descriptor: | GLYCEROL, Glutamine cyclotransferase-related protein, MAGNESIUM ION, ... | Authors: | Ruiz-Carrillo, D, Lamers, S, Feng, Q, Yu, S, Sun, B, Jiang, J, Lukman, M. | Deposit date: | 2020-07-10 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.950007 Å) | Cite: | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase. Biol.Chem., 402, 2021
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5XC6
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![BU of 5xc6 by Molmil](/molmil-images/mine/5xc6) | Dengue Virus 4 NS3 Helicase in complex with SSRNA SLA12 | Descriptor: | NS3 Helicase, PHOSPHATE ION, RNA (5'-R(*AP*GP*UP*UP*GP*UP*UP*AP*GP*UP*CP*U)-3') | Authors: | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | Deposit date: | 2017-03-22 | Release date: | 2017-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017
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7C3O
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![BU of 7c3o by Molmil](/molmil-images/mine/7c3o) | Crystal structure of TT109 from CANDIDA ALBICANS | Descriptor: | ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Chen, Y.P, Lei, J.H, Lu, D.R, Su, D. | Deposit date: | 2020-05-13 | Release date: | 2021-05-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structure of TT109 from CANDIDA ALBICANS To Be Published
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4WBK
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![BU of 4wbk by Molmil](/molmil-images/mine/4wbk) | The 1.37 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with stearic acid | Descriptor: | Fatty acid-binding protein, heart, STEARIC ACID | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-09-03 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Molecular Dynamics Simulations of Heart-type Fatty Acid Binding Protein in Apo and Holo Forms, and Hydration Structure Analyses in the Binding Cavity J.Phys.Chem.B, 119, 2015
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7CJV
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![BU of 7cjv by Molmil](/molmil-images/mine/7cjv) | Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a dilute environment | Descriptor: | Monomeric Human Cu,Zn Superoxide dismutase | Authors: | Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K. | Deposit date: | 2020-07-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel. J.Phys.Chem.B, 125, 2021
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7C7B
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![BU of 7c7b by Molmil](/molmil-images/mine/7c7b) | Crystal structure of human TRAP1 with SJT009 | Descriptor: | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | Deposit date: | 2020-05-24 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. Acs Med.Chem.Lett., 12, 2021
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7C7C
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![BU of 7c7c by Molmil](/molmil-images/mine/7c7c) | Crystal structure of human TRAP1 with SJT104 | Descriptor: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | Deposit date: | 2020-05-24 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity. Acs Med.Chem.Lett., 12, 2021
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7CMA
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![BU of 7cma by Molmil](/molmil-images/mine/7cma) | Structure of A151R from African swine fever virus Georgia | Descriptor: | A151R, ZINC ION | Authors: | Niu, D, Liu, K, Huang, J, Chen, C, Liu, W, Guo, R. | Deposit date: | 2020-07-26 | Release date: | 2021-06-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure basis of non-structural protein pA151R from African Swine Fever Virus. Biochem.Biophys.Res.Commun., 532, 2020
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4V4C
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![BU of 4v4c by Molmil](/molmil-images/mine/4v4c) | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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4V4E
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![BU of 4v4e by Molmil](/molmil-images/mine/4v4e) | Crystal Structure of Pyrogallol-Phloroglucinol Transhydroxylase from Pelobacter acidigallici complexed with inhibitor 1,2,4,5-tetrahydroxy-benzene | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, BENZENE-1,2,4,5-TETROL, CALCIUM ION, ... | Authors: | Messerschmidt, A, Niessen, H, Abt, D, Einsle, O, Schink, B, Kroneck, P.M.H. | Deposit date: | 2004-06-02 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of pyrogallol-phloroglucinol transhydroxylase, an Mo enzyme capable of intermolecular hydroxyl transfer between phenols PROC.NATL.ACAD.SCI.USA, 101, 2004
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4UQH
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![BU of 4uqh by Molmil](/molmil-images/mine/4uqh) | Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. | Descriptor: | (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(3,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE, ... | Authors: | Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. | Deposit date: | 2014-06-23 | Release date: | 2014-08-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
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4V2U
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![BU of 4v2u by Molmil](/molmil-images/mine/4v2u) | Apo-structure of alpha2,3-sialyltransferase from Pasteurella dagmatis | Descriptor: | SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-15 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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1FDP
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![BU of 1fdp by Molmil](/molmil-images/mine/1fdp) | PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D | Descriptor: | PROENZYME OF COMPLEMENT FACTOR D | Authors: | Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L. | Deposit date: | 1998-12-03 | Release date: | 1999-12-03 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D. Embo J., 18, 1999
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4UV4
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![BU of 4uv4 by Molmil](/molmil-images/mine/4uv4) | Crystal structure of anti-FPR Fpro0165 Fab fragment | Descriptor: | FPRO0165 FAB | Authors: | Douthwaite, J.A, Sridharan, S, Huntington, C, Marwood, R, Hammersley, J, Hakulinen, J.K, Ek, M, Sjogren, T, Rider, D, Privezentzev, C, Seaman, J.C, Cariuk, P, Knights, V, Young, J, Wilkinson, T, Sleeman, M, Finch, D.K, Lowe, D.C, Vaughan, T.J. | Deposit date: | 2014-08-04 | Release date: | 2014-12-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Affinity Maturation of a Novel Antagonistic Human Monoclonal Antibody with a Long Vh Cdr3 Targeting the Class a Gpcr Formyl-Peptide Receptor 1. Mabs, 7, 2015
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4V0I
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![BU of 4v0i by Molmil](/molmil-images/mine/4v0i) | Water Network Determines Selectivity for a Series of Pyrimidone Indoline Amide PI3KBeta Inhibitors over PI3K-Delta | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT DELTA ISOFORM | Authors: | Robinson, D, Bertrand, T, Carry, J.C, Halley, F, Karlsson, A, Mathieu, M, Minoux, H, Perrin, M.A, Robert, B, Schio, L, Sherman, W. | Deposit date: | 2014-09-16 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Differential Water Thermodynamics Determine Pi3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications. J.Chem.Inf.Model., 56, 2016
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7CDY
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![BU of 7cdy by Molmil](/molmil-images/mine/7cdy) | |
4V0R
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![BU of 4v0r by Molmil](/molmil-images/mine/4v0r) | DENGUE VIRUS FULL LENGTH NS5 COMPLEXED WITH GTP AND SAH | Descriptor: | FORMIC ACID, GLYCEROL, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Zhao, Y, Soh, S, Zheng, J, Phoo, W.W, Swaminathan, K, Cornvik, T.C, Lim, S.P, Shi, P.-Y, Lescar, J, Vasudevan, S.G, Luo, D. | Deposit date: | 2014-09-18 | Release date: | 2015-01-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A Crystal Structure of the Dengue Virus Ns5 Protein Reveals a Novel Inter-Domain Interface Essential for Protein Flexibility and Virus Replication. Plos Pathog., 11, 2015
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4V1O
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![BU of 4v1o by Molmil](/molmil-images/mine/4v1o) | Architecture of the RNA polymerase II-Mediator core transcription initiation complex | Descriptor: | DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB1, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB11, DNA-DIRECTED RNA POLYMERASE II SUBUNIT RPB2, ... | Authors: | Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P. | Deposit date: | 2014-09-29 | Release date: | 2015-02-04 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.7 Å) | Cite: | Architecture of the RNA Polymerase II-Mediator Core Initiation Complex. Nature, 518, 2015
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4V4Y
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![BU of 4v4y by Molmil](/molmil-images/mine/4v4y) | Crystal structure of the 70S Thermus thermophilus ribosome with translocated and rotated Shine-Dalgarno Duplex. | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M. | Deposit date: | 2006-06-27 | Release date: | 2014-07-09 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Structural basis for messenger RNA movement on the ribosome. Nature, 444, 2006
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4V5C
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![BU of 4v5c by Molmil](/molmil-images/mine/4v5c) | Structure of the Thermus thermophilus 70S ribosome in complex with mRNA, paromomycin, acylated A-site tRNA, deacylated P-site tRNA, and E-site tRNA. | Descriptor: | 16S ribosomal RNA, 23S Ribosomal RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Voorhees, R.M, Weixlbaumer, A, Loakes, D, Kelley, A.C, Ramakrishnan, V. | Deposit date: | 2009-03-24 | Release date: | 2014-07-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Insights Into Substrate Stabilization from Snapshots of the Peptidyl Transferase Center of the Intact 70S Ribosome Nat.Struct.Mol.Biol., 16, 2009
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5XC7
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![BU of 5xc7 by Molmil](/molmil-images/mine/5xc7) | Dengue Virus 4 NS3 Helicase D290A mutant | Descriptor: | CHLORIDE ION, GLYCEROL, NS3 Helicase | Authors: | Swarbrick, C.M.D, Basavannacharya, C, Chan, K.W.K, Chan, S.A, Singh, D, Wei, N, Phoo, W.W, Luo, D, Lescar, J, Vasudevan, S.G. | Deposit date: | 2017-03-22 | Release date: | 2017-11-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | NS3 helicase from dengue virus specifically recognizes viral RNA sequence to ensure optimal replication Nucleic Acids Res., 45, 2017
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4W5W
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![BU of 4w5w by Molmil](/molmil-images/mine/4w5w) | Rubisco activase from Arabidopsis thaliana | Descriptor: | Ribulose bisphosphate carboxylase/oxygenase activase, chloroplastic, SULFATE ION | Authors: | Hasse, D, Larsson, A.M, Andersson, I. | Deposit date: | 2014-08-19 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of Arabidopsis thaliana Rubisco activase Acta Crystallogr.,Sect.D, 71, 2015
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4W60
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![BU of 4w60 by Molmil](/molmil-images/mine/4w60) | The structure of Vaccina virus H7 protein displays A Novel Phosphoinositide binding fold required for membrane biogenesis | Descriptor: | Late protein H7 | Authors: | Kolli, S, Meng, X, Wu, X, Shengjuler, D, Cameron, C.E, Xiang, Y, Deng, J. | Deposit date: | 2014-08-19 | Release date: | 2014-12-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-function analysis of vaccinia virus h7 protein reveals a novel phosphoinositide binding fold essential for poxvirus replication. J.Virol., 89, 2015
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7CGZ
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![BU of 7cgz by Molmil](/molmil-images/mine/7cgz) | glucose dehydrogenase | Descriptor: | CALCIUM ION, GLYCEROL, glucose dehydrogenase | Authors: | Jia, S, Xu, D, Wang, W, Ran, T. | Deposit date: | 2020-07-03 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structure of glucose dehydrogenase at 1.33 Angstroms To Be Published
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