6ZIC
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6ZPL
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![BU of 6zpl by Molmil](/molmil-images/mine/6zpl) | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | 分子名称: | CHLORIDE ION, Endoglucanase H, SODIUM ION, ... | 著者 | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | 登録日 | 2020-07-08 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.945 Å) | 主引用文献 | Structural insights into the inhibition of glycine reuptake. Nature, 591, 2021
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7ULK
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![BU of 7ulk by Molmil](/molmil-images/mine/7ulk) | Human TRAP1 NM in complex with 42C | 分子名称: | CALCIUM ION, Heat shock protein 75 kDa, mitochondrial, ... | 著者 | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | 登録日 | 2022-04-05 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | 主引用文献 | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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7UFZ
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![BU of 7ufz by Molmil](/molmil-images/mine/7ufz) | Crystal structure of TDP1 complexed with compound XZ768 | 分子名称: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-03-23 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.559 Å) | 主引用文献 | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
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7ULJ
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![BU of 7ulj by Molmil](/molmil-images/mine/7ulj) | Hsp90b N-terminal domain in complex with 42C | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | 著者 | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | 登録日 | 2022-04-05 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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7UFY
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![BU of 7ufy by Molmil](/molmil-images/mine/7ufy) | Crystal structure of TDP1 complexed with compound XZ766 | 分子名称: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | 著者 | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | 登録日 | 2022-03-23 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.584 Å) | 主引用文献 | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
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7ULL
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![BU of 7ull by Molmil](/molmil-images/mine/7ull) | Human Grp94 N-terminal domain in complex with 42C | 分子名称: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | 著者 | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | 登録日 | 2022-04-05 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks. Protein Sci., 32, 2023
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5INI
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![BU of 5ini by Molmil](/molmil-images/mine/5ini) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | 分子名称: | HEXANOYL-COENZYME A, Putative carboxyl transferase | 著者 | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | 登録日 | 2016-03-07 | 公開日 | 2016-12-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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7AF2
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![BU of 7af2 by Molmil](/molmil-images/mine/7af2) | Salmonella typhimurium neuraminidase mutant (D62G) | 分子名称: | GLYCEROL, PHOSPHATE ION, Sialidase | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vimr, E.R, Garman, E.F. | 登録日 | 2020-09-19 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.792 Å) | 主引用文献 | Salmonella typhimurium neuraminidase mutant (D62G) To Be Published
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7AEY
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![BU of 7aey by Molmil](/molmil-images/mine/7aey) | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. | 分子名称: | (3~{S},4~{S},5~{R})-4-acetamido-3-oxidanyl-5-[(1~{S},2~{R})-1,2,3-tris(oxidanyl)propyl]cyclohexane-1-carboxylic acid, GLYCEROL, PHOSPHATE ION, ... | 著者 | Salinger, M.T, Kuhn, P, Laver, W.G, Pape, T, Schneider, T.R, Sheldrick, G.M, Vasella, A.T, Vimr, E.R, Vorwerk, S, Garman, E.F. | 登録日 | 2020-09-18 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (0.919 Å) | 主引用文献 | Salmonella typhimurium neuraminidase in complex with isocarba-DANA. To Be Published
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5IRA
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![BU of 5ira by Molmil](/molmil-images/mine/5ira) | Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis | 分子名称: | Artificial Metathesase, [1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium | 著者 | Heinisch, T, Jeschek, M, Reuter, R, Trindler, C, Panke, S, Ward, T.R. | 登録日 | 2016-03-12 | 公開日 | 2016-08-31 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Directed evolution of artificial metalloenzymes for in vivo metathesis. Nature, 537, 2016
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7URH
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![BU of 7urh by Molmil](/molmil-images/mine/7urh) | Crystal structure of Ferritin 2 from Caenorhabditis elegans, FTN-2 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, FE (III) ION, Ferritin | 著者 | Malcolm, T.R, Maher, M.J, Mubarak, S.S.M. | 登録日 | 2022-04-22 | 公開日 | 2023-04-26 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.468 Å) | 主引用文献 | Biochemical Characterization of Caenorhabditis elegans Ferritins. Biochemistry, 62, 2023
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7USN
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![BU of 7usn by Molmil](/molmil-images/mine/7usn) | Crystal structure of ferritin 1 from Caenorhabditis elegans, FTN-1 | 分子名称: | FE (III) ION, Ferritin, GLYCEROL, ... | 著者 | Malcolm, T.R, Maher, M.J, Mubarak, S.S.M. | 登録日 | 2022-04-25 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.789 Å) | 主引用文献 | Biochemical Characterization of Caenorhabditis elegans Ferritins. Biochemistry, 62, 2023
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6Z5O
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![BU of 6z5o by Molmil](/molmil-images/mine/6z5o) | CRYSTAL STRUCTURE OF RAT PEROXISOMAL MULTIFUNCTIONAL ENZYME TYPE-1 (RPMFE1) COMPLEXED WITH COENZYME-A AND OXIDISED NICOTINAMIDE ADENINE DINUCLEOTIDE | 分子名称: | COENZYME A, GLYCEROL, NICOTINAMIDE, ... | 著者 | Wierenga, R.K, Sridhar, S, Kiema, T.R. | 登録日 | 2020-05-27 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystallographic binding studies of rat peroxisomal multifunctional enzyme type 1 with 3-ketodecanoyl-CoA: capturing active and inactive states of its hydratase and dehydrogenase catalytic sites. Acta Crystallogr D Struct Biol, 76, 2020
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5FAO
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![BU of 5fao by Molmil](/molmil-images/mine/5fao) | CTX-M-15 in complex with FPI-1465 | 分子名称: | Beta-lactamase, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-02-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5ING
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![BU of 5ing by Molmil](/molmil-images/mine/5ing) | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit | 分子名称: | Putative carboxyl transferase | 著者 | Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L. | 登録日 | 2016-03-07 | 公開日 | 2016-12-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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5FAS
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![BU of 5fas by Molmil](/molmil-images/mine/5fas) | OXA-48 in complex with FPI-1523 | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | 登録日 | 2015-12-11 | 公開日 | 2016-01-20 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins. Acs Chem.Biol., 11, 2016
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5INF
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![BU of 5inf by Molmil](/molmil-images/mine/5inf) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | 分子名称: | Carboxyl transferase, HEXANOYL-COENZYME A | 著者 | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L. | 登録日 | 2016-03-07 | 公開日 | 2016-12-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.751 Å) | 主引用文献 | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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7B5J
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![BU of 7b5j by Molmil](/molmil-images/mine/7b5j) | Anti-CRISPR associated (Aca) protein, Aca2 | 分子名称: | Anti-CRISPR associated (Aca) protein, Aca2, GLYCEROL | 著者 | Usher, B, Birkholz, N, Fineran, P.C, Blower, T.R. | 登録日 | 2020-12-03 | 公開日 | 2021-06-23 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Crystal structure of the anti-CRISPR repressor Aca2. J.Struct.Biol., 213, 2021
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7AEG
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![BU of 7aeg by Molmil](/molmil-images/mine/7aeg) | SARS-CoV-2 main protease in a covalent complex with SDZ 224015 derivative, compound 5 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | 登録日 | 2020-09-17 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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7AEH
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![BU of 7aeh by Molmil](/molmil-images/mine/7aeh) | SARS-CoV-2 main protease in a covalent complex with a pyridine derivative of ABT-957, compound 1 | 分子名称: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | 著者 | Owen, C.D, Redhead, M.A, Lukacik, P, Strain-Damerell, C, Fearon, D, Brewitz, L, Collette, A, Robinson, C, Collins, P, Radoux, C, Navratilova, I, Douangamath, A, von Delft, F, Malla, T.R, Nugen, T, Hull, H, Tumber, A, Schofield, C.J, Hallet, D, Stuart, D.I, Hopkins, A.L, Walsh, M.A. | 登録日 | 2020-09-17 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Bispecific repurposed medicines targeting the viral and immunological arms of COVID-19. Sci Rep, 11, 2021
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5FTP
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![BU of 5ftp by Molmil](/molmil-images/mine/5ftp) | sulfur SAD phasing of Cdc23Nterm: data collection with a tailored X- ray beam size at 2.69 A wavelength (4.6 keV) | 分子名称: | ANAPHASE-PROMOTING COMPLEX SUBUNIT 8 | 著者 | Cianci, M, Groves, M.R, Barford, D, Schneider, T.R. | 登録日 | 2016-01-14 | 公開日 | 2016-03-16 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Data Collection with a Tailored X-Ray Beam Size at 2.69 A Wavelength (4.6 Kev): Sulfur Sad Phasing of Cdc23Nterm Acta Crystallogr.,Sect.D, 72, 2016
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2NQC
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![BU of 2nqc by Molmil](/molmil-images/mine/2nqc) | Crystal structure of ig-like domain 23 from human filamin C | 分子名称: | Filamin-C, GLYCEROL, IMIDAZOLE, ... | 著者 | Sjekloca, L, Pudas, R, Sjoeblom, B, Konarev, P, Carugo, O, Rybin, V, Kiema, T.R, Svergun, D, Ylanne, J, Djinovic-Carugo, K. | 登録日 | 2006-10-31 | 公開日 | 2007-09-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Crystal structure of human filamin C domain 23 and small angle scattering model for filamin C 23-24 dimer J.Mol.Biol., 368, 2007
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1S81
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![BU of 1s81 by Molmil](/molmil-images/mine/1s81) | PORCINE TRYPSIN WITH NO INHIBITOR BOUND | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | 著者 | Transue, T.R, Krahn, J.M, Gabel, S.A, DeRose, E.F, London, R.E. | 登録日 | 2004-01-30 | 公開日 | 2004-03-16 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | X-ray and NMR characterization of covalent complexes of trypsin, borate, and alcohols. Biochemistry, 43, 2004
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6D3F
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![BU of 6d3f by Molmil](/molmil-images/mine/6d3f) | Crystal Structure of the PTP epsilon D2 domain | 分子名称: | Receptor-type tyrosine-protein phosphatase epsilon | 著者 | Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S. | 登録日 | 2018-04-16 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.271 Å) | 主引用文献 | High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design. Acta Crystallogr D Struct Biol, 74, 2018
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