5WHT
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![BU of 5wht by Molmil](/molmil-images/mine/5wht) | Crystal structure of 3'SL bound PltB | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ... | Authors: | Gao, X, Galan, J.E. | Deposit date: | 2017-07-18 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.932 Å) | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin. Nat Microbiol, 2, 2017
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5CR6
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![BU of 5cr6 by Molmil](/molmil-images/mine/5cr6) | Structure of pneumolysin at 1.98 A resolution | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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5WCM
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![BU of 5wcm by Molmil](/molmil-images/mine/5wcm) | Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | Descriptor: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | Deposit date: | 2017-06-30 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides. Antimicrob. Agents Chemother., 54, 2010
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1YBT
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![BU of 1ybt by Molmil](/molmil-images/mine/1ybt) | MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE, RV1900C CHD | Descriptor: | hydrolase, alpha/beta hydrolase fold family | Authors: | Sinha, S.C, Wetterer, M, Sprang, S.R, Schultz, J.E, Linder, J.U. | Deposit date: | 2004-12-21 | Release date: | 2005-02-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Origin of asymmetry in adenylyl cyclases: structures of Mycobacterium tuberculosis Rv1900c. Embo J., 24, 2005
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4DMX
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![BU of 4dmx by Molmil](/molmil-images/mine/4dmx) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DMY
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![BU of 4dmy by Molmil](/molmil-images/mine/4dmy) | Cathepsin K inhibitor | Descriptor: | (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ... | Authors: | Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M. | Deposit date: | 2012-02-08 | Release date: | 2012-07-11 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. J.Med.Chem., 55, 2012
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4DKT
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![BU of 4dkt by Molmil](/molmil-images/mine/4dkt) | Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Protein-arginine deiminase type-4, ... | Authors: | Jones, J.E, Slack, J.L, Fang, P, Zhang, X, Subramanian, V, Causey, C.P, Coonrod, S.A, Guo, M, Thompson, P.R. | Deposit date: | 2012-02-04 | Release date: | 2012-02-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Synthesis and Screening of a Haloacetamidine Containing Library To Identify PAD4 Selective Inhibitors. Acs Chem.Biol., 7, 2012
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4EDG
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![BU of 4edg by Molmil](/molmil-images/mine/4edg) | The structure of the S. aureus DnaG RNA Polymerase Domain bound to ATP and Manganese | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, BENZAMIDINE, DNA primase, ... | Authors: | Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M. | Deposit date: | 2012-03-27 | Release date: | 2012-07-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases. Structure, 20, 2012
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1JEB
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![BU of 1jeb by Molmil](/molmil-images/mine/1jeb) | Chimeric Human/Mouse Carbonmonoxy Hemoglobin (Human Zeta2 / Mouse Beta2) | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN BETA-SINGLE CHAIN, HEMOGLOBIN ZETA CHAIN, ... | Authors: | Kidd, R.D, Russell, J.E, Watmough, N.J, Baker, E.N, Brittain, T. | Deposit date: | 2001-06-17 | Release date: | 2002-01-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The role of beta chains in the control of the hemoglobin oxygen binding function: chimeric human/mouse proteins, structure, and function. Biochemistry, 40, 2001
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1Y11
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![BU of 1y11 by Molmil](/molmil-images/mine/1y11) | Mycobacterial adenylyl cyclase Rv1264, holoenzyme, active state | Descriptor: | GLYCEROL, Hypothetical protein Rv1264/MT1302, PENTAETHYLENE GLYCOL, ... | Authors: | Tews, I, Findeisen, F, Sinning, I, Schultz, A, Schultz, J.E, Linder, J.U. | Deposit date: | 2004-11-16 | Release date: | 2005-05-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The structure of a pH-sensing mycobacterial adenylyl cyclase holoenzyme Science, 308, 2005
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1JZL
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![BU of 1jzl by Molmil](/molmil-images/mine/1jzl) | Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide. | Descriptor: | CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-16 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity. Biochemistry, 40, 2001
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1YBU
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![BU of 1ybu by Molmil](/molmil-images/mine/1ybu) | Mycobacterium tuberculosis adenylyl cyclase Rv1900c CHD, in complex with a substrate analog. | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MANGANESE (II) ION, lipJ | Authors: | Sinha, S.C, Wetterer, M, Sprang, S.R, Schultz, J.E, Linder, J.U. | Deposit date: | 2004-12-21 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Origin of asymmetry in adenylyl cyclases: structures of Mycobacterium tuberculosis Rv1900c. Embo J., 24, 2005
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1Z0B
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![BU of 1z0b by Molmil](/molmil-images/mine/1z0b) | Crystal Structure of A. fulgidus Lon proteolytic domain E506A mutant | Descriptor: | CALCIUM ION, Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-01 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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4EG3
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![BU of 4eg3 by Molmil](/molmil-images/mine/4eg3) | Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate | Descriptor: | GLYCEROL, Methionyl-tRNA synthetase, putative, ... | Authors: | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2012-03-30 | Release date: | 2012-09-12 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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5Y8R
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![BU of 5y8r by Molmil](/molmil-images/mine/5y8r) | ZsYellow at pH 3.5 | Descriptor: | GFP-like fluorescent chromoprotein FP538 | Authors: | Bae, J.E, Kim, I.J, Nam, K.H. | Deposit date: | 2017-08-21 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Disruption of the hydrogen bonding network determines the pH-induced non-fluorescent state of the fluorescent protein ZsYellow by protonation of Glu221. Biochem. Biophys. Res. Commun., 493, 2017
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1YYY
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![BU of 1yyy by Molmil](/molmil-images/mine/1yyy) | Trypsin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, CALCIUM ION, TRYPSIN | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-06-03 | Release date: | 1999-06-08 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes. Biochemistry, 37, 1998
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4EE1
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![BU of 4ee1 by Molmil](/molmil-images/mine/4ee1) | The structure of the S. aureus DnaG RNA Polymerase Domain bound to CTP and Manganese | Descriptor: | BENZAMIDINE, CYTIDINE-5'-TRIPHOSPHATE, DNA primase, ... | Authors: | Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M. | Deposit date: | 2012-03-28 | Release date: | 2012-07-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases. Structure, 20, 2012
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1ZTJ
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![BU of 1ztj by Molmil](/molmil-images/mine/1ztj) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Benzylamino-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | Descriptor: | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, BICARBONATE ION, Coagulation factor XI, ... | Authors: | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. | Deposit date: | 2005-05-27 | Release date: | 2006-05-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Pyrimidinone Inhibitors of a Thrombolytic Protease To be Published
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5BR8
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![BU of 5br8 by Molmil](/molmil-images/mine/5br8) | Ambient-temperature crystal structure of 30S ribosomal subunit from Thermus thermophilus in complex with paromomycin | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Sierra, R.G, Gati, C, Laksmono, H, Dao, E.H, Gul, S, Fuller, F, Kern, J, Chatterjee, R, Ibrahim, M, Brewster, A, Young, I.D, Michels-Clark, T, Aquila, A, Mengning, L, Hunter, M.S, Koglin, J.E, Boutet, S, Junco, E.A, Hayes, B, Bogan, M.J, Hampton, C.Y, Puglisi, E.V, Sauter, N.K, Stan, C.A, Zouni, A, Yano, J, Yachandra, V.K, Soltis, S.M, Puglisi, J.D, DeMirci, H. | Deposit date: | 2015-05-29 | Release date: | 2015-11-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Ambient-temperature crystal structure of 30S ribosomal subunit from Thermus thermophilus in complex with paromomycin To Be Published
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1HY5
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![BU of 1hy5 by Molmil](/molmil-images/mine/1hy5) | |
1Z0E
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![BU of 1z0e by Molmil](/molmil-images/mine/1z0e) | Crystal Structure of A. fulgidus Lon proteolytic domain | Descriptor: | Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-01 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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1ZHP
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![BU of 1zhp by Molmil](/molmil-images/mine/1zhp) | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with Benzamidine (S434A-T475A-K505 Mutant) | Descriptor: | BENZAMIDINE, GLUTATHIONE, coagulation factor XI | Authors: | Jin, L, Pandey, P, Babine, R.E, Weaver, D.T, Abdel-Meguid, S.S, Strickler, J.E. | Deposit date: | 2005-04-26 | Release date: | 2005-09-20 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mutation of surface residues to promote crystallization of activated factor XI as a complex with benzamidine: an essential step for the iterative structure-based design of factor XI inhibitors. Acta Crystallogr.,Sect.D, 61, 2005
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4CCD
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![BU of 4ccd by Molmil](/molmil-images/mine/4ccd) | STRUCTURE OF MOUSE GALACTOCEREBROSIDASE WITH D-GALACTAL: ENZYME- INTERMEDIATE COMPLEX | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-alpha-D-galactopyranose, ... | Authors: | Hill, C.H, Graham, S.C, Read, R.J, Deane, J.E. | Deposit date: | 2013-10-21 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Snapshots Illustrate the Catalytic Cycle of Beta-Galactocerebrosidase, the Defective Enzyme in Krabbe Disease Proc.Natl.Acad.Sci.USA, 110, 2013
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1Z5P
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![BU of 1z5p by Molmil](/molmil-images/mine/1z5p) | Crystal structure of MTA/AdoHcy nucleosidase with a ligand-free purine binding site | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Lee, J.E, Smith, G.D, Horvatin, C, Huang, D.J.T, Cornell, K.A, Riscoe, M.K, Howell, P.L. | Deposit date: | 2005-03-18 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural snapshots of MTA/AdoHcy nucleosidase along the reaction coordinate provide insights into enzyme and nucleoside flexibility during catalysis J.Mol.Biol., 352, 2005
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1HV0
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![BU of 1hv0 by Molmil](/molmil-images/mine/1hv0) | DISSECTING ELECTROSTATIC INTERACTIONS AND THE PH-DEPENDENT ACTIVITY OF A FAMILY 11 GLYCOSIDASE | Descriptor: | ENDO-1,4-BETA-XYLANASE | Authors: | Joshi, M.D, Sidhu, G, Nielsen, J.E, Brayer, G.D, Withers, S.G, McIntosh, L.P. | Deposit date: | 2001-01-05 | Release date: | 2001-09-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dissecting the electrostatic interactions and pH-dependent activity of a family 11 glycosidase. Biochemistry, 40, 2001
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