2Y1W
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![BU of 2y1w by Molmil](/molmil-images/mine/2y1w) | CRYSTAL STRUCTURE OF COACTIVATOR ASSOCIATED ARGININE METHYLTRANSFERASE 1 (CARM1) IN COMPLEX WITH SINEFUNGIN AND INDOLE INHIBITOR | Descriptor: | 2-{4-[3-FLUORO-2-(2-METHOXYPHENYL)-1H-INDOL-5-YL] PIPERIDIN-1-YL}-N-METHYLETHANAMINE, HISTONE-ARGININE METHYLTRANSFERASE CARM1, SINEFUNGIN | Authors: | Sack, J.S, Thieffine, S, Bandiera, T, Fasolini, M, Duke, G.J, Jayaraman, L, Kish, K.F, Klei, H.E, Purandare, A.V, Rosettani, P, Troiani, S, Xie, D, Bertrand, J.A. | Deposit date: | 2010-12-10 | Release date: | 2011-03-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Carm1 Inhibition by Indole and Pyrazole Inhibitors Biochem.J., 436, 2011
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151D
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![BU of 151d by Molmil](/molmil-images/mine/151d) | DIVERSITY OF WATER RING SIZE AT DNA INTERFACES: HYDRATION AND DYNAMICS OF DNA-ANTHRACYCLINE COMPLEXES | Descriptor: | DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DOXORUBICIN | Authors: | Lipscomb, L.A, Peek, M.E, Zhou, F.X, Bertrand, J.A, VanDerveer, D, Williams, L.D. | Deposit date: | 1993-12-13 | Release date: | 1994-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Water ring structure at DNA interfaces: hydration and dynamics of DNA-anthracycline complexes. Biochemistry, 33, 1994
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4F71
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![BU of 4f71 by Molmil](/molmil-images/mine/4f71) | Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, wild-type protein, complex with magnesium and inorganic phosphate | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-05-15 | Release date: | 2012-06-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of Protein Bt-2542 from Bacteroides Thetaiotaomicron (Target Efi-501088) To be Published
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2XYZ
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![BU of 2xyz by Molmil](/molmil-images/mine/2xyz) | De Novo model of Bacteriophage P22 virion coat protein | Descriptor: | COAT PROTEIN | Authors: | Chen, D.-H, Baker, M.L, Hryc, C.F, DiMaio, F, Jakana, J, Wu, W, Dougherty, M, Haase-Pettingell, C, Schmid, M.F, Jiang, W, Baker, D, King, J.A, Chiu, W. | Deposit date: | 2010-11-19 | Release date: | 2011-02-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structural Basis for Scaffolding-Mediated Assembly and Maturation of a DsDNA Virus. Proc.Natl.Acad.Sci.USA, 108, 2011
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2AA5
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![BU of 2aa5 by Molmil](/molmil-images/mine/2aa5) | Mineralocorticoid Receptor with Bound Progesterone | Descriptor: | Mineralocorticoid receptor, PROGESTERONE | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | Deposit date: | 2005-07-13 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2XD4
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![BU of 2xd4 by Molmil](/molmil-images/mine/2xd4) | |
4F8M
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![BU of 4f8m by Molmil](/molmil-images/mine/4f8m) | Crystal structure of Staphylococcal nuclease variant Delta+PHS V23I/I92V at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Nam, S.P, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-05-17 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pressure effects in proteins To be Published
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1AKZ
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![BU of 1akz by Molmil](/molmil-images/mine/1akz) | HUMAN URACIL-DNA GLYCOSYLASE | Descriptor: | URACIL-DNA GLYCOSYLASE | Authors: | Tainer, J.A, Mol, C.D. | Deposit date: | 1997-05-27 | Release date: | 1997-08-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA. Embo J., 17, 1998
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2A8I
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![BU of 2a8i by Molmil](/molmil-images/mine/2a8i) | Crystal Structure of human Taspase1 | Descriptor: | Threonine aspartase 1 | Authors: | Khan, J.A, Dunn, B.M, Tong, L. | Deposit date: | 2005-07-08 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Taspase1, a Crucial Protease Regulating the Function of MLL. Structure, 13, 2005
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4F1E
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![BU of 4f1e by Molmil](/molmil-images/mine/4f1e) | The Crystal Structure of a Human MitoNEET mutant with Asp 67 replaced by a Gly | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Baxter, E.I, Zuris, J.A, Wang, C, Axelrod, H.L, Cohen, A.E, Paddock, M.L, Nechushtai, R, Onuchic, J.N, Jennings, P.A. | Deposit date: | 2012-05-06 | Release date: | 2012-12-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Allosteric control in a metalloprotein dramatically alters function. Proc.Natl.Acad.Sci.USA, 110, 2013
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2AAX
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![BU of 2aax by Molmil](/molmil-images/mine/2aax) | Mineralocorticoid Receptor Double Mutant with Bound Cortisone | Descriptor: | 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE, Mineralocorticoid receptor, SULFATE ION | Authors: | Bledsoe, R.K, Madauss, K.P, Holt, J.A, Apolito, C.J, Lambert, M.H, Pearce, K.H, Stanley, T.B, Stewart, E.L, Trump, R.P, Willson, T.M, Williams, S.P. | Deposit date: | 2005-07-14 | Release date: | 2005-07-26 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Ligand-mediated Hydrogen Bond Network Required for the Activation of the Mineralocorticoid Receptor J.Biol.Chem., 280, 2005
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2XVR
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![BU of 2xvr by Molmil](/molmil-images/mine/2xvr) | Phage T7 empty mature head shell | Descriptor: | MAJOR CAPSID PROTEIN 10A | Authors: | Ionel, A, Velazquez-Muriel, J.A, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L. | Deposit date: | 2010-10-28 | Release date: | 2010-12-01 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (10.8 Å) | Cite: | Molecular Rearrangements Involved in the Capsid Shell Maturation of Bacteriophage T7. J.Biol.Chem., 286, 2011
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4F4R
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![BU of 4f4r by Molmil](/molmil-images/mine/4f4r) | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop | Descriptor: | CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI), Medical Structural Genomics of Pathogenic Protozoa (MSGPP) | Deposit date: | 2012-05-11 | Release date: | 2012-06-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of D-mannonate dehydratase homolog from Chromohalobacter salexigens (Target EFI-502114), with bound NA, ordered loop to be published
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1A1Q
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![BU of 1a1q by Molmil](/molmil-images/mine/1a1q) | HEPATITIS C VIRUS NS3 PROTEINASE | Descriptor: | NS3 PROTEINASE, ZINC ION | Authors: | Love, R.A, Parge, H.E, Wickersham, J.A, Hostomsky, Z, Habuka, N, Moomaw, E.W, Adachi, T, Hostomska, Z. | Deposit date: | 1997-12-12 | Release date: | 1998-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site. Cell(Cambridge,Mass.), 87, 1996
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2XRU
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![BU of 2xru by Molmil](/molmil-images/mine/2xru) | AURORA-A T288E COMPLEXED WITH PHA-828300 | Descriptor: | 3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE 6 | Authors: | Bindi, S, Fancelli, D, Alli, C, Berta, D, Bertrand, J.A, Cameron, A.D, Cappella, P, Carpinelli, P, Cervi, G, Croci, W, D'Anello, M, Forte, B, LauraGiorgini, M, Marsiglio, A, Moll, J, Pesenti, E, Pittala, V, Pulici, M, Riccardi-Sirtori, F, Roletto, F, Soncini, C, Storici, P, Varasi, M, Volpi, D, Zugnoni, P, Vianello, P. | Deposit date: | 2010-09-22 | Release date: | 2010-09-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Thieno[3,2-C]Pyrazoles: A Novel Class of Aurora Inhibitors with Favorable Antitumor Activity. Bioorg.Med.Chem., 18, 2010
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1Q97
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![BU of 1q97 by Molmil](/molmil-images/mine/1q97) | The structure of the Saccharomyces cerevisiae SR protein kinase, Sky1p, with bound ATP | Descriptor: | ADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Nolen, B, Ngo, J, Chakrabarti, S, Vu, D, Adams, J.A, Ghosh, G. | Deposit date: | 2003-08-22 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nucleotide-Induced Conformational Changes in the Saccharomyces cerevisiae SR Protein Kinase, Sky1p, Revealed by X-ray Crystallography Biochemistry, 42, 2003
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2Y35
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![BU of 2y35 by Molmil](/molmil-images/mine/2y35) | Crystal structure of Xrn1-substrate complex | Descriptor: | DT11 (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP)-3', LD22664P, MAGNESIUM ION | Authors: | Jinek, M, Coyle, S.M, Doudna, J.A. | Deposit date: | 2010-12-18 | Release date: | 2011-03-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Coupled 5' Nucleotide Recognition and Processivity in Xrn1-Mediated Mrna Decay. Mol.Cell, 41, 2011
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4F7X
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![BU of 4f7x by Molmil](/molmil-images/mine/4f7x) | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A/L25A at cryogenic temperature | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | Authors: | Caro, J.A, Clark, I, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B. | Deposit date: | 2012-05-16 | Release date: | 2012-06-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Pressure effects in proteins To be Published
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2A3A
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![BU of 2a3a by Molmil](/molmil-images/mine/2a3a) | Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline | Descriptor: | SULFATE ION, THEOPHYLLINE, chitinase | Authors: | Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F. | Deposit date: | 2005-06-24 | Release date: | 2005-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. Chem.Biol., 12, 2005
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1QBI
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![BU of 1qbi by Molmil](/molmil-images/mine/1qbi) | SOLUBLE QUINOPROTEIN GLUCOSE DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS | Descriptor: | CALCIUM ION, GLYCEROL, PLATINUM (II) ION, ... | Authors: | Oubrie, A, Rozeboom, H.J, Kalk, K.H, Duine, J.A, Dijkstra, B.W. | Deposit date: | 1999-04-22 | Release date: | 2000-02-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The 1.7 A crystal structure of the apo form of the soluble quinoprotein glucose dehydrogenase from Acinetobacter calcoaceticus reveals a novel internal conserved sequence repeat. J.Mol.Biol., 289, 1999
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4BQR
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![BU of 4bqr by Molmil](/molmil-images/mine/4bqr) | Mtb InhA complex with Methyl-thiazole compound 11 | Descriptor: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Shirude, P.S. | Deposit date: | 2013-05-31 | Release date: | 2013-12-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Methyl-Thiazoles: A Novel Mode of Inhibition with the Potential to Develop Novel Inhibitors Targeting Inha in Mycobacterium Tuberculosis. J.Med.Chem., 56, 2013
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2Y48
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![BU of 2y48 by Molmil](/molmil-images/mine/2y48) | Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LYSINE-SPECIFIC DEMETHYLASE 1A, REST COREPRESSOR 1, ... | Authors: | Baron, R, Binda, C, Tortorici, M, McCammon, J.A, Mattevi, A. | Deposit date: | 2011-01-05 | Release date: | 2011-02-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular Mimicry and Ligand Recognition in Binding and Catalysis by the Histone Demethylase Lsd1-Corest Complex. Structure, 19, 2011
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2XNI
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![BU of 2xni by Molmil](/molmil-images/mine/2xni) | Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates | Descriptor: | (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-), MAGNESIUM ION, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Zhou, Y, Li, Q, Plattner, J.J, Baker, S.J, Zhang, S, Kazmierski, W.M, Wright, L.L, Smith, G.K, Grimes, R.M, Crosby, R.M, Creech, K.L, Carballo, L.H, Slater, M.J, Jarvest, R.L, Thommes, P, Hubbard, J.A, Convery, M.A, Nassau, P.M, McDowell, W, Skarzynski, T.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, Pennicott, L.E, Zou, W, Wright, J. | Deposit date: | 2010-08-02 | Release date: | 2011-08-17 | Last modified: | 2012-09-26 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Novel Macrocyclic Hcv Ns3 Protease Inhibitors Derived from Alpha-Amino Cyclic Boronates. Bioorg.Med.Chem.Lett., 20, 2010
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4C2Z
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![BU of 4c2z by Molmil](/molmil-images/mine/4c2z) | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W. | Deposit date: | 2013-08-20 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Chemical Proteomics Defines the Mammalian N- Myristoylated Proteome in Live Cells Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells. Nat.Commun., 5, 2014
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1Q6Q
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![BU of 1q6q by Molmil](/molmil-images/mine/1q6q) | Structure of 3-keto-L-gulonate 6-phosphate decarboxylase with bound xylitol 5-phosphate | Descriptor: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-XYLITOL 5-PHOSPHATE, MAGNESIUM ION | Authors: | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | Deposit date: | 2003-08-13 | Release date: | 2003-10-28 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | Structural Evidence for a 1,2-Enediolate Intermediate in the Reaction Catalyzed by 3-Keto-l-Gulonate 6-Phosphate Decarboxylase, a Member of the Orotidine 5'-Monophosphate Decarboxylase Suprafamily Biochemistry, 42, 2003
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