2VWN
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![BU of 2vwn by Molmil](/molmil-images/mine/2vwn) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid ((3S,4S)-1-{[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenylcarbamoyl]-methyl}-4-hydroxy-pyrrolidin-3-yl)-amide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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4R3O
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![BU of 4r3o by Molmil](/molmil-images/mine/4r3o) | Human Constitutive 20S Proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Sacchettini, J.C, Harshbarger, W.H. | Deposit date: | 2014-08-16 | Release date: | 2015-01-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib. Structure, 23, 2015
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2V11
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![BU of 2v11 by Molmil](/molmil-images/mine/2v11) | Crystal Structure of Renin with Inhibitor 6 | Descriptor: | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-BENZYL-1H-INDOLE-3-CARBOXYLATE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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2V0Z
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![BU of 2v0z by Molmil](/molmil-images/mine/2v0z) | Crystal Structure of Renin with Inhibitor 10 (Aliskiren) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALISKIREN, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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2V16
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![BU of 2v16 by Molmil](/molmil-images/mine/2v16) | Crystal Structure of Renin with Inhibitor 3 | Descriptor: | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO-9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL-9-OXO-NONANOYL]-3,4-DIHYDRO-2H-QUINOLINE-3-CARBOXYLATE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-22 | Release date: | 2008-07-08 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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2V13
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![BU of 2v13 by Molmil](/molmil-images/mine/2v13) | Crystal Structure of Renin with Inhibitor 7 | Descriptor: | N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2008-07-08 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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6MNG
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![BU of 6mng by Molmil](/molmil-images/mine/6mng) | 4738 TCR bound to IAb Padi4 | Descriptor: | 4738 TCR alpha chain, 4738 TCR beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | Deposit date: | 2018-10-01 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.662 Å) | Cite: | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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2VWL
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![BU of 2vwl by Molmil](/molmil-images/mine/2vwl) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2V10
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![BU of 2v10 by Molmil](/molmil-images/mine/2v10) | Crystal Structure of Renin with Inhibitor 9 | Descriptor: | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-2,8-DIMETHYLNONANAMIDE, RENIN | Authors: | Rahuel, J, Rasetti, V, Maibaum, J, Rueger, H, Goschke, R, Cohen, N.C, Stutz, S, Cumin, F, Fuhrer, W, Wood, J.M, Grutter, M.G. | Deposit date: | 2007-05-21 | Release date: | 2007-07-03 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Drug Design: The Discovery of Novel Nonpeptide Orally Active Inhibitors of Human Renin Chem.Biol., 7, 2000
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6MNM
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![BU of 6mnm by Molmil](/molmil-images/mine/6mnm) | 6256 TCR bound to I-Ab Padi4 | Descriptor: | 6256 TCR alpha chain, 6256 TCR beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | Deposit date: | 2018-10-02 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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2VVV
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![BU of 2vvv by Molmil](/molmil-images/mine/2vvv) | Aminopyrrolidine-related triazole Factor Xa inhibitor | Descriptor: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-12 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWO
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![BU of 2vwo by Molmil](/molmil-images/mine/2vwo) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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2VWM
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![BU of 2vwm by Molmil](/molmil-images/mine/2vwm) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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4R67
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![BU of 4r67 by Molmil](/molmil-images/mine/4r67) | Human constitutive 20S proteasome in complex with carfilzomib | Descriptor: | N-{(2S)-2-[(morpholin-4-ylacetyl)amino]-4-phenylbutanoyl}-L-leucyl-N-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-L-phenylalaninamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Sacchettini, J.C, Harshbarger, W.H. | Deposit date: | 2014-08-22 | Release date: | 2015-02-11 | Last modified: | 2015-02-18 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Crystal Structure of the Human 20S Proteasome in Complex with Carfilzomib. Structure, 23, 2015
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2Y44
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![BU of 2y44 by Molmil](/molmil-images/mine/2y44) | Crystal structure of GARP from Trypanosoma congolense | Descriptor: | GLUTAMIC ACID/ALANINE-RICH PROTEIN, GLYCEROL, IODIDE ION | Authors: | Loveless, B.C, Mason, J.W, Sakurai, T, Inoue, N, Razavi, M, Pearson, T.W, Boulanger, M.J. | Deposit date: | 2011-01-04 | Release date: | 2011-03-30 | Last modified: | 2012-11-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural Characterization and Epitope Mapping of the Glutamic Acid/Alanine-Rich Protein from Trypanosoma Congolense: Defining Assembly on the Parasite Cell Surface. J.Biol.Chem., 286, 2011
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2VVU
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![BU of 2vvu by Molmil](/molmil-images/mine/2vvu) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-chloro-N-[(3R)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)pyrrolidin-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-11 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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4TWY
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![BU of 4twy by Molmil](/molmil-images/mine/4twy) | Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor | Descriptor: | (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-07-02 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Bioorg.Med.Chem., 23, 2015
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8U1W
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![BU of 8u1w by Molmil](/molmil-images/mine/8u1w) | Structure of Norovirus (Hu/GII.4/Sydney/NSW0514/2012/AU) protease bound to inhibitor NV-004 | Descriptor: | ACETATE ION, GLYCEROL, Peptidase C37, ... | Authors: | Eruera, A.R, Campbell, A.C, Krause, K.L. | Deposit date: | 2023-09-03 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal Structure of Inhibitor-Bound GII.4 Sydney 2012 Norovirus 3C-Like Protease. Viruses, 15, 2023
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8U1V
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![BU of 8u1v by Molmil](/molmil-images/mine/8u1v) | |
7D64
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![BU of 7d64 by Molmil](/molmil-images/mine/7d64) | |
4V68
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![BU of 4v68 by Molmil](/molmil-images/mine/4v68) | T. thermophilus 70S ribosome in complex with mRNA, tRNAs and EF-Tu.GDP.kirromycin ternary complex, fitted to a 6.4 A Cryo-EM map. | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Schuette, J.-C, Spahn, C.M.T. | Deposit date: | 2008-12-11 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | GTPase activation of elongation factor EF-Tu by the ribosome during decoding Embo J., 28, 2009
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7DMG
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![BU of 7dmg by Molmil](/molmil-images/mine/7dmg) | Short chain dehydrogenase 2 (SCR2) crystal structure with NADP | Descriptor: | (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-12-03 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLM
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![BU of 7dlm by Molmil](/molmil-images/mine/7dlm) | Short chain dehydrogenase (SCR) crystal structure with NADPH | Descriptor: | Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-28 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DLD
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![BU of 7dld by Molmil](/molmil-images/mine/7dld) | Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states | Descriptor: | Carbonyl Reductase, MAGNESIUM ION | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-11-27 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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7DN1
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![BU of 7dn1 by Molmil](/molmil-images/mine/7dn1) | Hetero-oligomers of SCR-SCR2 crystal structure with NADPH | Descriptor: | (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F. | Deposit date: | 2020-12-08 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Oligomeric interactions maintain active-site structure in a noncooperative enzyme family. Embo J., 41, 2022
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