1RLC
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![BU of 1rlc by Molmil](/molmil-images/mine/1rlc) | CRYSTAL STRUCTURE OF THE UNACTIVATED RIBULOSE 1, 5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE COMPLEXED WITH A TRANSITION STATE ANALOG, 2-CARBOXY-D-ARABINITOL 1,5-BISPHOSPHATE | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN) | Authors: | Zhang, K.Y.J, Cascio, D, Eisenberg, D. | Deposit date: | 1993-08-04 | Release date: | 1993-10-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the unactivated ribulose 1,5-bisphosphate carboxylase/oxygenase complexed with a transition state analog, 2-carboxy-D-arabinitol 1,5-bisphosphate. Protein Sci., 3, 1994
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5HBH
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![BU of 5hbh by Molmil](/molmil-images/mine/5hbh) | CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide | Descriptor: | 1,2-ETHANEDIOL, 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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5HHZ
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6BGT
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8WKY
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![BU of 8wky by Molmil](/molmil-images/mine/8wky) | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25 | Descriptor: | CALCIUM ION, Melanocortin receptor 4, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, ... | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | Deposit date: | 2023-09-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design. J.Med.Chem., 67, 2024
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5HBE
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![BU of 5hbe by Molmil](/molmil-images/mine/5hbe) | CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one | Descriptor: | 1,2-ETHANEDIOL, 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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8WKZ
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![BU of 8wkz by Molmil](/molmil-images/mine/8wkz) | Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31 | Descriptor: | CALCIUM ION, Melanocortin receptor 4, OLEIC ACID, ... | Authors: | Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S. | Deposit date: | 2023-09-28 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design. J.Med.Chem., 67, 2024
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5X02
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![BU of 5x02 by Molmil](/molmil-images/mine/5x02) | Crystal structure of the FLT3 kinase domain bound to the inhibitor FF-10101 | Descriptor: | N-[(2S)-1-[5-[2-[(4-cyanophenyl)amino]-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxidanylidene-propan-2-yl]-4-(dimethylamino)-N-methyl-but-2-enamide, Receptor-type tyrosine-protein kinase FLT3, SULFATE ION | Authors: | Fujikawa, N, Hirano, D, Takasaki, M, Terada, D, Hagiwara, S, Park, S.-Y, Sugiyama, K. | Deposit date: | 2017-01-19 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | A novel irreversible FLT3 inhibitor, FF-10101, shows excellent efficacy against AML cells withFLT3mutations. Blood, 131, 2018
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2BTW
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![BU of 2btw by Molmil](/molmil-images/mine/2btw) | Crystal structure of Alr0975 | Descriptor: | ALR0975 PROTEIN, CALCIUM ION | Authors: | Vivares, D, Arnoux, P, Pignol, D. | Deposit date: | 2005-06-07 | Release date: | 2005-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Papain-Like Enzyme at Work: Native and Acyl- Enzyme Intermediate Structures in Phytochelatin Synthesis. Proc.Natl.Acad.Sci.USA, 102, 2005
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2C8R
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![BU of 2c8r by Molmil](/molmil-images/mine/2c8r) | insuline(60sec) and UV laser excited fluorescence | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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1RTI
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![BU of 1rti by Molmil](/molmil-images/mine/1rti) | HIGH RESOLUTION STRUCTURES OF HIV-1 RT FROM FOUR RT-INHIBITOR COMPLEXES | Descriptor: | 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE, HIV-1 REVERSE TRANSCRIPTASE | Authors: | Ren, J, Esnouf, R, Garman, E, Somers, D, Ross, C, Kirby, I, Keeling, J, Darby, G, Jones, Y, Stuart, D, Stammers, D. | Deposit date: | 1995-05-03 | Release date: | 1996-04-03 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | High resolution structures of HIV-1 RT from four RT-inhibitor complexes. Nat.Struct.Biol., 2, 1995
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2C8O
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![BU of 2c8o by Molmil](/molmil-images/mine/2c8o) | lysozyme (1sec) and UV lasr excited fluorescence | Descriptor: | LYSOZYME C | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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2CJA
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![BU of 2cja by Molmil](/molmil-images/mine/2cja) | Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N. | Deposit date: | 2006-03-30 | Release date: | 2006-06-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition Embo J., 25, 2006
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2C8Q
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![BU of 2c8q by Molmil](/molmil-images/mine/2c8q) | insuline(1sec) and UV laser excited fluorescence | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | Authors: | Vernede, X, Lavault, B, Ohana, J, Nurizzo, D, Joly, J, Jacquamet, L, Felisaz, F, Cipriani, F, Bourgeois, D. | Deposit date: | 2005-12-06 | Release date: | 2006-03-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Uv Laser-Excited Fluorescence as a Tool for the Visualization of Protein Crystals Mounted in Loops. Acta Crystallogr.,Sect.D, 62, 2006
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1Y82
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![BU of 1y82 by Molmil](/molmil-images/mine/1y82) | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus | Descriptor: | UNKNOWN ATOM OR ION, hypothetical protein | Authors: | Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-12-10 | Release date: | 2005-01-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus To be published
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2CJ9
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![BU of 2cj9 by Molmil](/molmil-images/mine/2cj9) | Crystal structure of Methanosarcina barkeri seryl-tRNA synthetase complexed with an analog of seryladenylate | Descriptor: | 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, CHLORIDE ION, SERYL-TRNA SYNTHETASE, ... | Authors: | Bilokapic, S, Maier, T, Ahel, D, Gruic-Sovulj, I, Soll, D, Weygand-Durasevic, I, Ban, N. | Deposit date: | 2006-03-29 | Release date: | 2006-06-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Unusual Seryl-tRNA Synthetase Reveals a Distinct Zinc-Dependent Mode of Substrate Recognition Embo J., 25, 2006
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2EXI
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![BU of 2exi by Molmil](/molmil-images/mine/2exi) | Structure of the family43 beta-Xylosidase D15G mutant from geobacillus stearothermophilus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Brux, C, Niefind, K, Shallom-Shezifi, D, Shoham, Y, Schomburg, D. | Deposit date: | 2005-11-08 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues. J.Mol.Biol., 359, 2006
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2ERL
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![BU of 2erl by Molmil](/molmil-images/mine/2erl) | PHEROMONE ER-1 FROM | Descriptor: | ETHANOL, MATING PHEROMONE ER-1 | Authors: | Anderson, D.H, Weiss, M.S, Eisenberg, D. | Deposit date: | 1995-12-20 | Release date: | 1996-07-11 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A challenging case for protein crystal structure determination: the mating pheromone Er-1 from Euplotes raikovi. Acta Crystallogr.,Sect.D, 52, 1996
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1LJM
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![BU of 1ljm by Molmil](/molmil-images/mine/1ljm) | DNA recognition is mediated by conformational transition and by DNA bending | Descriptor: | CHLORIDE ION, RUNX1 transcription factor | Authors: | Bartfeld, D, Shimon, L, Couture, G.C, Rabinovich, D, Frolow, F, Levanon, D, Groner, Y, Shakked, Z. | Deposit date: | 2002-04-22 | Release date: | 2002-11-06 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | DNA Recognition by the RUNX1 Transcription Factor Is Mediated by an Allosteric Transition in the RUNT Domain and by DNA Bending. Structure, 10
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2EZ1
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![BU of 2ez1 by Molmil](/molmil-images/mine/2ez1) | Holo tyrosine phenol-lyase from Citrobacter freundii at pH 8.0 | Descriptor: | POTASSIUM ION, Tyrosine phenol-lyase | Authors: | Milic, D, Matkovic-Calogovic, D, Demidkina, T.V, Antson, A.A. | Deposit date: | 2005-11-10 | Release date: | 2006-07-25 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of apo- and holo-tyrosine phenol-lyase reveal a catalytically critical closed conformation and suggest a mechanism for activation by K+ ions Biochemistry, 45, 2006
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2F8U
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![BU of 2f8u by Molmil](/molmil-images/mine/2f8u) | G-quadruplex structure formed in human Bcl-2 promoter, hybrid form | Descriptor: | 5'-D(*GP*GP*GP*CP*GP*CP*GP*GP*GP*AP*GP*GP*AP*AP*TP*TP*GP*GP*GP*CP*GP*GP*G)-3' | Authors: | Dai, J, Chen, D, Carver, M, Yang, D. | Deposit date: | 2005-12-03 | Release date: | 2006-11-07 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR solution structure of the major G-quadruplex structure formed in the human BCL2 promoter region. Nucleic Acids Res., 34, 2006
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2A4Z
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![BU of 2a4z by Molmil](/molmil-images/mine/2a4z) | Crystal Structure of human PI3Kgamma complexed with AS604850 | Descriptor: | (5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit, gamma isoform | Authors: | Camps, M, Ruckle, T, Ji, H, Ardissone, V, Rintelen, F, Shaw, J, Ferrandi, C, Chabert, C, Gillieron, C, Francon, B, Martin, T, Gretener, D, Perrin, D, Leroy, D, Vitte, P.-A, Hirsch, E, Wymann, M.P, Cirillo, R, Schwarz, M.K, Rommel, C. | Deposit date: | 2005-06-30 | Release date: | 2005-09-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Blockade of PI3Kgamma suppresses joint inflammation and damage in mouse models of rheumatoid arthritis NAT.MED. (N.Y.), 11, 2005
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5HBJ
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![BU of 5hbj by Molmil](/molmil-images/mine/5hbj) | CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one | Descriptor: | 1,2-ETHANEDIOL, 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one, Cyclin-C, ... | Authors: | Musil, D, Blagg, J, Mallinger, A. | Deposit date: | 2015-12-31 | Release date: | 2016-02-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of Potent, Selective, and Orally Bioavailable Small-Molecule Modulators of the Mediator Complex-Associated Kinases CDK8 and CDK19. J.Med.Chem., 59, 2016
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2FLD
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![BU of 2fld by Molmil](/molmil-images/mine/2fld) | I-MsoI Re-Designed for Altered DNA Cleavage Specificity | Descriptor: | 5'-D(*CP*GP*GP*AP*AP*CP*GP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*CP*TP*TP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*AP*AP*GP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*CP*GP*TP*TP*CP*CP*G)-3', CALCIUM ION, ... | Authors: | Ashworth, J, Duarte, C.M, Havranek, J.J, Sussman, D, Monnat, R.J, Stoddard, B.L, Baker, D. | Deposit date: | 2006-01-05 | Release date: | 2006-06-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Computational redesign of endonuclease DNA binding and cleavage specificity. Nature, 441, 2006
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2EXK
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![BU of 2exk by Molmil](/molmil-images/mine/2exk) | Structure of the family43 beta-Xylosidase E187G from geobacillus stearothermophilus in complex with xylobiose | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Brux, C, Niefind, K, Shallom-Shezifi, D, Shoham, Y, Schomburg, D. | Deposit date: | 2005-11-08 | Release date: | 2006-04-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of an Inverting GH43 beta-Xylosidase from Geobacillus stearothermophilus with its Substrate Reveals the Role of the Three Catalytic Residues. J.Mol.Biol., 359, 2006
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