8B56
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![BU of 8b56 by Molmil](/molmil-images/mine/8b56) | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | Descriptor: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | Authors: | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | Deposit date: | 2022-09-21 | Release date: | 2023-08-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.823 Å) | Cite: | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors. J.Med.Chem., 65, 2022
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5W3J
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![BU of 5w3j by Molmil](/molmil-images/mine/5w3j) | Yeast microtubule stabilized with Taxol assembled from mutated tubulin | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Howes, S.C, Geyer, E.A, LaFrance, B, Zhang, R, Kellogg, E.H, Westermann, S, Rice, L.M, Nogales, E. | Deposit date: | 2017-06-07 | Release date: | 2017-07-19 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural differences between yeast and mammalian microtubules revealed by cryo-EM. J. Cell Biol., 216, 2017
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8B4U
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![BU of 8b4u by Molmil](/molmil-images/mine/8b4u) | The crystal structure of PET46, a PETase enzyme from Candidatus bathyarchaeota | Descriptor: | 1,2-ETHANEDIOL, Alpha/beta hydrolase, CHLORIDE ION, ... | Authors: | Costanzi, E, Applegate, V, Schumacher, J, Smits, S.H.J. | Deposit date: | 2022-09-21 | Release date: | 2023-08-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | An archaeal lid-containing feruloyl esterase degrades polyethylene terephthalate. Commun Chem, 6, 2023
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3KSB
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![BU of 3ksb by Molmil](/molmil-images/mine/3ksb) | Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (re-sealed form) | Descriptor: | 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*TP*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*TP*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', DNA topoisomerase 4 subunit A, ... | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | Deposit date: | 2009-11-21 | Release date: | 2010-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases Plos One, 5, 2010
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5KRA
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![BU of 5kra by Molmil](/molmil-images/mine/5kra) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with DDT and DDE | Descriptor: | 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene, 1-chloranyl-4-[2,2,2-tris(chloranyl)-1-(4-chlorophenyl)ethyl]benzene, Estrogen receptor, ... | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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3KYL
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![BU of 3kyl by Molmil](/molmil-images/mine/3kyl) | |
2XWZ
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![BU of 2xwz by Molmil](/molmil-images/mine/2xwz) | STRUCTURE OF THE RECOMBINANT NATIVE NITRITE REDUCTASE FROM ALCALIGENES XYLOSOXIDANS complexed with nitrite | Descriptor: | ACETATE ION, COPPER (II) ION, DISSIMILATORY COPPER-CONTAINING NITRITE REDUCTASE, ... | Authors: | Antonyuk, S.V, Leferink, N.G.H, Han, C, Heyes, D.J, Rigby, S.E.J, Hough, M.A, Eady, R.R, Scrutton, N.S, Hasnain, S.S. | Deposit date: | 2010-11-06 | Release date: | 2011-05-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Proton-Coupled Electron Transfer in the Catalytic Cycle of Alcaligenes Xylosoxidans Copper-Dependent Nitrite Reductase. Biochemistry, 50, 2011
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6X9F
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![BU of 6x9f by Molmil](/molmil-images/mine/6x9f) | Pseudomonas aeruginosa MurC with AZ8074 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Horanyi, P.S, Mayclin, S.J, Durand-Reville, T.F, Lorimer, D.D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2020-06-02 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Pseudomonas aeruginosa MurC with AZ8074 To Be Published
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1VJ9
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![BU of 1vj9 by Molmil](/molmil-images/mine/1vj9) | Urokinase Plasminogen Activator B-Chain-JT464 Complex | Descriptor: | N-(BENZYLSULFONYL)-L-SERYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-O-BENZYL-L-SERINAMIDE, SULFATE ION, plasminogen activator, ... | Authors: | Schweinitz, A, Steinmetzer, T, Banke, I.J, Arlt, M.J.E, Stuerzebecher, A, Schuster, O, Geissler, A, Giersiefen, H, Zeslawska, E, Jacob, U, Kruger, A, Stuerzebecher, J. | Deposit date: | 2004-02-03 | Release date: | 2004-06-22 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents J.Biol.Chem., 279, 2004
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3KS8
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![BU of 3ks8 by Molmil](/molmil-images/mine/3ks8) | Crystal structure of Reston ebolavirus VP35 RNA binding domain in complex with 18bp dsRNA | Descriptor: | 5'-R(*AP*GP*AP*AP*GP*GP*AP*GP*GP*GP*AP*GP*GP*GP*AP*GP*GP*A)-3', 5'-R(*UP*CP*CP*UP*CP*CP*CP*UP*CP*CP*CP*UP*CP*CP*UP*UP*CP*U)-3', Polymerase cofactor VP35 | Authors: | Kimberlin, C.R, Bornholdt, Z.A, Li, S, Woods, V.L, Macrae, I.J, Saphire, E.O. | Deposit date: | 2009-11-20 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Ebolavirus VP35 uses a bimodal strategy to bind dsRNA for innate immune suppression. Proc.Natl.Acad.Sci.USA, 107, 2009
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1VYQ
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![BU of 1vyq by Molmil](/molmil-images/mine/1vyq) | Novel inhibitors of Plasmodium Falciparum dUTPase provide a platform for anti-malarial drug design | Descriptor: | 2,3-DEOXY-3-FLUORO-5-O-TRITYLURIDINE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE | Authors: | Whittingham, J.L, Leal, I, Kasinathan, G, Nguyen, C, Bell, E, Jones, A.F, Berry, C, Benito, A, Turkenburg, J.P, Dodson, E.J, Ruiz Perez, L.M, Wilkinson, A.J, Johansson, N.G, Brun, R, Gilbert, I.H, Gonzalez Pacanowska, D, Wilson, K.S. | Deposit date: | 2004-05-05 | Release date: | 2005-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Dutpase as a Platform for Antimalarial Drug Design: Structural Basis for the Selectivity of a Class of Nucleoside Inhibitors. Structure, 13, 2005
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4O43
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![BU of 4o43 by Molmil](/molmil-images/mine/4o43) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-18 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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1W49
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![BU of 1w49 by Molmil](/molmil-images/mine/1w49) | P4 protein from Bacteriophage PHI12 in complex with AMPcPP and Mg | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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4O5G
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![BU of 4o5g by Molmil](/molmil-images/mine/4o5g) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{E})-5-[(4-aminophenyl)methylidene]-2-azanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-19 | Release date: | 2014-01-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
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1W3B
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![BU of 1w3b by Molmil](/molmil-images/mine/1w3b) | The superhelical TPR domain of O-linked GlcNAc transferase reveals structural similarities to importin alpha. | Descriptor: | CALCIUM ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 | Authors: | Jinek, M, Rehwinkel, J, Lazarus, B.D, Izaurralde, E, Hanover, J.A, Conti, E. | Deposit date: | 2004-07-14 | Release date: | 2004-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | The Superhelical Tpr-Repeat Domain of O-Linked Glcnac Transferase Exhibits Structural Similarities to Importin Alpha Nat.Struct.Mol.Biol., 11, 2004
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1W4B
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![BU of 1w4b by Molmil](/molmil-images/mine/1w4b) | P4 protein from PHI12 in complex with product (AMPcPP Mg 22C) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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1W46
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![BU of 1w46 by Molmil](/molmil-images/mine/1w46) | P4 protein from Bacteriophage PHI12 in complex with ADP and MG | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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1W48
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![BU of 1w48 by Molmil](/molmil-images/mine/1w48) | P4 protein from Bacteriophage PHI12 in complex with AMPcPP | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-10-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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1W47
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![BU of 1w47 by Molmil](/molmil-images/mine/1w47) | P4 protein from Bacteriophage PHI12 in complex with ADP and MN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NTPASE P4 | Authors: | Mancini, E.J, Kainov, D.E, Grimes, J.M, Tuma, R, Bamford, D.H, Stuart, D.I. | Deposit date: | 2004-07-22 | Release date: | 2004-11-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic Snapshots of an RNA Packaging Motor Reveal Conformational Changes Linking ATP Hydrolysis to RNA Translocation Cell(Cambridge,Mass.), 118, 2004
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5VZ2
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![BU of 5vz2 by Molmil](/molmil-images/mine/5vz2) | |
2XZ6
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![BU of 2xz6 by Molmil](/molmil-images/mine/2xz6) | MTSET-modified Y53C mutant of Aplysia AChBP | Descriptor: | 2-(TRIMETHYLAMMONIUM)ETHYL THIOL, SOLUBLE ACETYLCHOLINE RECEPTOR | Authors: | Brams, M, Gay, E.A, Colon Saez, J, Guskov, A, Van Elk, R, Van Der Schors, R.C, Peigneur, S, Tytgat, J, Strelkov, S.V, Smit, A.B, Yakel, J.L, Ulens, C. | Deposit date: | 2010-11-23 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.137 Å) | Cite: | Crystal Structures of a Cysteine-Modified Mutant in Loop D of Acetylcholine Binding Protein J.Biol.Chem., 286, 2011
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6WYE
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![BU of 6wye by Molmil](/molmil-images/mine/6wye) | Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) | Descriptor: | (2S)-2-hydroxybutanedioic acid, SODIUM ION, Serine acetyltransferase | Authors: | Hicks, J.L, Oldham, K.E, Summers, E.L, Prentice, E.J. | Deposit date: | 2020-05-12 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition. Biochem.J., 479, 2022
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5W1F
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![BU of 5w1f by Molmil](/molmil-images/mine/5w1f) | Crystal structure of Ni(II)- and Ca(II)-bound human calprotectin | Descriptor: | CALCIUM ION, NICKEL (II) ION, Protein S100-A8, ... | Authors: | Nakashige, T.G, Drennan, C.L, Nolan, E.M. | Deposit date: | 2017-06-03 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nickel Sequestration by the Host-Defense Protein Human Calprotectin. J. Am. Chem. Soc., 139, 2017
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5W18
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![BU of 5w18 by Molmil](/molmil-images/mine/5w18) | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | Authors: | Lee, R.E, Griffith, E.C. | Deposit date: | 2017-06-02 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Ureadepsipeptides as ClpP Activators. Acs Infect Dis., 2019
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1VLT
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![BU of 1vlt by Molmil](/molmil-images/mine/1vlt) | LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE | Descriptor: | ASPARTATE RECEPTOR, ASPARTIC ACID | Authors: | Kim, S.-H, Yeh, J.I, Biemann, H.-P, Prive, G, Pandit, J, Koshland Junior, D.E. | Deposit date: | 1996-09-17 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | High-resolution structures of the ligand binding domain of the wild-type bacterial aspartate receptor. J.Mol.Biol., 262, 1996
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