5S4J
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![BU of 5s4j by Molmil](/molmil-images/mine/5s4j) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with SF054 | Descriptor: | 6-chlorotetrazolo[1,5-b]pyridazine, Non-structural protein 3 | Authors: | Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F. | Deposit date: | 2020-11-02 | Release date: | 2021-01-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.124 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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1V08
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![BU of 1v08 by Molmil](/molmil-images/mine/1v08) | Crystal structure of the Zea maze beta-glucosidase-1 in complex with gluco-tetrazole | Descriptor: | BETA-GLUCOSIDASE, NOJIRIMYCINE TETRAZOLE | Authors: | Moriniere, J, Verdoucq, L, Bevan, D.R, Esen, A, Henrissat, B, Czjzek, M. | Deposit date: | 2004-03-25 | Release date: | 2004-05-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Determinants of Substrate Specificity in Family 1 Beta-Glucosidases: Novel Insights from the Crystal Structure of Sorghum Dhurrinase-1, a Plant Beta-Glucosidase with Strict Specificity, in Complex with its Natural Substrate J.Biol.Chem., 279, 2004
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2WDS
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![BU of 2wds by Molmil](/molmil-images/mine/2wds) | Crystal structure of the Streptomyces coelicolor H110A AcpS mutant in complex with cofactor CoA at 1.3 A | Descriptor: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | Deposit date: | 2009-03-26 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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1VBS
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![BU of 1vbs by Molmil](/molmil-images/mine/1vbs) | STRUCTURE OF CYCLOPHILIN COMPLEXED WITH (D)ALA CONTAINING TETRAPEPTIDE | Descriptor: | CYCLOPHILIN A, TETRAPEPTIDE | Authors: | Zhao, Y, Chen, Y, Schutkowski, M, Fischer, G, Ke, H. | Deposit date: | 1998-06-16 | Release date: | 1999-01-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mapping the stereospecificity of peptidyl prolyl cis/trans isomerases. FEBS Lett., 432, 1998
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2IWF
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![BU of 2iwf by Molmil](/molmil-images/mine/2iwf) | Resting form of pink nitrous oxide reductase from Achromobacter Cycloclastes | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Paraskevopoulos, K, Antonyuk, S.V, Sawers, R.G, Eady, R.R, Hasnain, S.S. | Deposit date: | 2006-06-29 | Release date: | 2006-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Insight Into Catalysis of Nitrous Oxide Reductase from High-Resolution Structures of Resting and Inhibitor-Bound Enzyme from Achromobacter Cycloclastes. J.Mol.Biol., 362, 2006
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2G6M
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![BU of 2g6m by Molmil](/molmil-images/mine/2g6m) | Structure of rat nNOS heme domain (BH4 bound) complexed with CO | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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1M34
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![BU of 1m34 by Molmil](/molmil-images/mine/1m34) | Nitrogenase Complex From Azotobacter Vinelandii Stabilized By ADP-Tetrafluoroaluminate | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Schmid, B, Einsle, O, Chiu, H.-J, Willing, A, Yoshida, M, Howard, J.B, Rees, D.C. | Deposit date: | 2002-06-27 | Release date: | 2003-02-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Biochemical and Structural Characterization of the Crosslinked Complex of Nitrogenase: Comparison to the ADP-AlF4 Stabilized structure Biochemistry, 41, 2002
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2G6K
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![BU of 2g6k by Molmil](/molmil-images/mine/2g6k) | Structure of rat nNOS heme domain (BH4 bound) complexed with NO | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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1U9Z
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![BU of 1u9z by Molmil](/molmil-images/mine/1u9z) | Crystal Structure of Phosphoribosyl Diphosphate Synthase Complexed with AMP and Ribose 5-Phosphate | Descriptor: | ADENOSINE MONOPHOSPHATE, RIBOSE-5-PHOSPHATE, Ribose-phosphate pyrophosphokinase | Authors: | Kadziola, A, Johansson, E, Jepsen, C.H, McGuire, J, Larsen, S, Hove-Jensen, B. | Deposit date: | 2004-08-11 | Release date: | 2005-08-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Novel class III phosphoribosyl diphosphate synthase: structure and properties of the tetrameric, phosphate-activated, non-allosterically inhibited enzyme from Methanocaldococcus jannaschii J.Mol.Biol., 354, 2005
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2W3S
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![BU of 2w3s by Molmil](/molmil-images/mine/2w3s) | Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in Complex with Xanthine | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C. | Deposit date: | 2008-11-14 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase. J.Biol.Chem., 284, 2009
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1U67
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![BU of 1u67 by Molmil](/molmil-images/mine/1u67) | Crystal Structure of Arachidonic Acid Bound to a Mutant of Prostagladin H Synthase-1 that Forms Predominantly 11-HPETE. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, PROTOPORPHYRIN IX CONTAINING CO, ... | Authors: | Harman, C.A, Rieke, C.J, Garavito, R.M, Smith, W.L. | Deposit date: | 2004-07-29 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of arachidonic Acid bound to a mutant of prostaglandin endoperoxide h synthase-1 that forms predominantly 11-hydroperoxyeicosatetraenoic Acid. J.Biol.Chem., 279, 2004
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2WDO
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![BU of 2wdo by Molmil](/molmil-images/mine/2wdo) | Crystal structure of the S. coelicolor AcpS in complex with acetyl- CoA at 1.5 A | Descriptor: | ACETYL COENZYME *A, COENZYME A, GLYCEROL, ... | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | Deposit date: | 2009-03-25 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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1R9I
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![BU of 1r9i by Molmil](/molmil-images/mine/1r9i) | NMR Solution Structure of PIIIA toxin, NMR, 20 structures | Descriptor: | Mu-conotoxin PIIIA | Authors: | Nielsen, K.J, Watson, M, Adams, D.J, Hammarstrom, A.K, Gage, P.W, Hill, J.M, Craik, D.J, Thomas, L, Adams, D, Alewood, P.F, Lewis, R.J. | Deposit date: | 2003-10-30 | Release date: | 2003-11-18 | Last modified: | 2019-12-25 | Method: | SOLUTION NMR | Cite: | Solution structure of mu-conotoxin PIIIA, a preferential inhibitor of persistent tetrodotoxin-sensitive sodium channels J.Biol.Chem., 277, 2002
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2IEJ
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![BU of 2iej by Molmil](/molmil-images/mine/2iej) | Human Protein Farnesyltransferase Complexed with Inhibitor Compound STN-48 And FPP Analog at 1.8A Resolution | Descriptor: | ACETATE ION, METHYL N-{(3S)-1-[(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-6-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-3-YL}-N-[(1-METHYL-1H-IMIDAZOL-4-YL)SULFONYL]GLYCINATE, Protein farnesyltransferase subunit beta, ... | Authors: | Hast, M.A, Beese, L.S. | Deposit date: | 2006-09-19 | Release date: | 2007-01-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Resistance mutations at the lipid substrate binding site of Plasmodium falciparum protein farnesyltransferase. Mol.Biochem.Parasitol., 152, 2007
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2W3R
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![BU of 2w3r by Molmil](/molmil-images/mine/2w3r) | Crystal Structure of Xanthine Dehydrogenase (desulfo form) from Rhodobacter capsulatus in complex with hypoxanthine | Descriptor: | CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Dietzel, U, Kuper, J, Leimkuhler, S, Kisker, C. | Deposit date: | 2008-11-14 | Release date: | 2008-12-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanism of Substrate and Inhibitor Binding of Rhodobacter Capsulatus Xanthine Dehydrogenase. J.Biol.Chem., 284, 2009
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2IWK
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![BU of 2iwk by Molmil](/molmil-images/mine/2iwk) | Inhibitor-bound form of nitrous oxide reductase from Achromobacter Cycloclastes at 1.7 Angstrom resolution | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Paraskevopoulos, K, Antonyuk, S.V, Sawers, R.G, Eady, R.R, Hasnain, S.S. | Deposit date: | 2006-06-30 | Release date: | 2006-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Insight Into Catalysis of Nitrous Oxide Reductase from High-Resolution Structures of Resting and Inhibitor-Bound Enzyme from Achromobacter Cycloclastes. J.Mol.Biol., 362, 2006
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7WU3
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![BU of 7wu3 by Molmil](/molmil-images/mine/7wu3) | Cryo-EM structure of the adhesion GPCR ADGRF1 in complex with miniGs | Descriptor: | Adhesion G-protein coupled receptor F1, 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: | Qu, X, Qiu, N, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2022-02-05 | Release date: | 2022-04-27 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1. Nature, 604, 2022
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7WU2
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![BU of 7wu2 by Molmil](/molmil-images/mine/7wu2) | Cryo-EM structure of the adhesion GPCR ADGRD1 in complex with miniGs | Descriptor: | Adhesion G-protein coupled receptor D1, 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: | Qu, X, Qiu, N, Wang, M, Zhao, Q, Wu, B. | Deposit date: | 2022-02-05 | Release date: | 2022-04-27 | Last modified: | 2022-05-11 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of tethered agonism of the adhesion GPCRs ADGRD1 and ADGRF1. Nature, 604, 2022
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2J89
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![BU of 2j89 by Molmil](/molmil-images/mine/2j89) | Functional and structural aspects of poplar cytosolic and plastidial type A methionine sulfoxide reductases | Descriptor: | BETA-MERCAPTOETHANOL, METHIONINE SULFOXIDE REDUCTASE A | Authors: | Rouhier, N, Kauffmann, B, Tete-Favier, F, Palladino, P, Gans, P, Branlant, G, Jacquot, J.P, Boschi-Muller, S. | Deposit date: | 2006-10-23 | Release date: | 2006-11-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional and Structural Aspects of Poplar Cytosolic and Plastidial Type a Methionine Sulfoxide Reductases J.Biol.Chem., 282, 2007
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1RMK
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![BU of 1rmk by Molmil](/molmil-images/mine/1rmk) | Solution structure of conotoxin MrVIB | Descriptor: | Mu-O-conotoxin MrVIB | Authors: | Daly, N.L, Ekberg, J.A, Thomas, L, Adams, D.J, Lewis, R.J, Craik, D.J. | Deposit date: | 2003-11-28 | Release date: | 2004-09-07 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Structures of muO-conotoxins from Conus marmoreus. Inhibitors of tetrodotoxin (TTX)-sensitive and TTX-resistant sodium channels in mammalian sensory neurons J.Biol.Chem., 279, 2004
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2WDY
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![BU of 2wdy by Molmil](/molmil-images/mine/2wdy) | Crystal structure of the Streptomyces coelicolor D111A AcpS mutant in complex with cofactor CoA at 1.4 A | Descriptor: | COENZYME A, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, MAGNESIUM ION, ... | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | Deposit date: | 2009-03-27 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
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1U9Y
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![BU of 1u9y by Molmil](/molmil-images/mine/1u9y) | Crystal Structure of Phosphoribosyl Diphosphate Synthase from Methanocaldococcus jannaschii | Descriptor: | Ribose-phosphate pyrophosphokinase | Authors: | Kadziola, A, Johansson, E, Jepsen, C.H, McGuire, J, Larsen, S, Hove-Jensen, B. | Deposit date: | 2004-08-11 | Release date: | 2005-08-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Novel class III phosphoribosyl diphosphate synthase: structure and properties of the tetrameric, phosphate-activated, non-allosterically inhibited enzyme from Methanocaldococcus jannaschii J.Mol.Biol., 354, 2005
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2G6H
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![BU of 2g6h by Molmil](/molmil-images/mine/2g6h) | Structure of rat nNOS heme domain (BH4 bound) in the reduced form | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ... | Authors: | Li, H, Igarashi, J, Jamal, J, Yang, W, Poulos, T.L. | Deposit date: | 2006-02-24 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. J.Biol.Inorg.Chem., 11, 2006
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1C30
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![BU of 1c30 by Molmil](/molmil-images/mine/1c30) | CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMOYL PHOSPHATE SYNTHETASE: LARGE SUBUNIT, CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT, ... | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | Deposit date: | 1999-07-24 | Release date: | 1999-12-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The small subunit of carbamoyl phosphate synthetase: snapshots along the reaction pathway. Biochemistry, 38, 1999
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1C3O
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![BU of 1c3o by Molmil](/molmil-images/mine/1c3o) | CRYSTAL STRUCTURE OF THE CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTANT C269S WITH BOUND GLUTAMINE | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CARBAMOYL PHOSPHATE SYNTHETASE: LARGE SUBUNIT, CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT, ... | Authors: | Thoden, J.B, Huang, X, Raushel, F.M, Holden, H.M. | Deposit date: | 1999-07-28 | Release date: | 1999-12-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The small subunit of carbamoyl phosphate synthetase: snapshots along the reaction pathway. Biochemistry, 38, 1999
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