4CJA
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![BU of 4cja by Molmil](/molmil-images/mine/4cja) | BurrH DNA-binding protein from Burkholderia rhizoxinica in complex with its target DNA | Descriptor: | 5'-D(*DTP*AP*TP*AP*AP*CP*GP*TP*AP*TP*TP*TP*GP*CP *TP*TP*CP*TP*CP*TP*TP*AP*AP)-3', 5'-D(*DTP*TP*AP*AP*GP*AP*GP*AP*AP*GP*CP*AP*AP*DP *TP*AP*CP*GP*TP*TP*AP*TP*AP)-3', BURRH | Authors: | Stella, S, Molina, R, Lopez-Mendez, B, Campos-Olivas, R, Duchateau, P, Montoya, G. | Deposit date: | 2013-12-19 | Release date: | 2014-07-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Bud, a Helix-Loop-Helix DNA-Binding Domain for Genome Modification Acta Crystallogr.,Sect.D, 70, 2014
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1KD3
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![BU of 1kd3 by Molmil](/molmil-images/mine/1kd3) | The Crystal Structure of r(GGUCACAGCCC)2, Thallium form | Descriptor: | 5'-R(*GP*GP*UP*CP*AP*CP*AP*GP*CP*CP*C)-3', THALLIUM (I) ION | Authors: | Kacer, V, Scaringe, S.A, Scarsdale, J.N, Rife, J.P. | Deposit date: | 2001-11-12 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of r(GGUCACAGCCC)2. Acta Crystallogr.,Sect.D, 59, 2003
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1KD4
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![BU of 1kd4 by Molmil](/molmil-images/mine/1kd4) | The Crystal Structure of r(GGUCACAGCCC)2, Barium form | Descriptor: | 5'-R(*GP*GP*UP*CP*AP*CP*AP*GP*CP*CP*C)-3', BARIUM ION | Authors: | Kacer, V, Scaringe, S.A, Scarsdale, J.N, Rife, J.P. | Deposit date: | 2001-11-12 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of r(GGUCACAGCCC)2. Acta Crystallogr.,Sect.D, 59, 2003
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1KD5
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![BU of 1kd5 by Molmil](/molmil-images/mine/1kd5) | The Crystal Structure of r(GGUCACAGCCC)2 metal free form | Descriptor: | 5'-R(*GP*GP*UP*CP*AP*CP*AP*GP*CP*CP*C)-3' | Authors: | Kacer, V, Scaringe, S.A, Scarsdale, J.N, Rife, J.P. | Deposit date: | 2001-11-12 | Release date: | 2003-03-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structures of r(GGUCACAGCCC)2. Acta Crystallogr.,Sect.D, 59, 2003
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4CHV
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![BU of 4chv by Molmil](/molmil-images/mine/4chv) | The electron crystallography structure of the cAMP-bound potassium channel MloK1 | Descriptor: | CYCLIC NUCLEOTIDE-GATED POTASSIUM CHANNEL MLL3241, POTASSIUM ION | Authors: | Kowal, J, Chami, M, Baumgartner, P, Arheit, M, Chiu, P.L, Rangl, M, Scheuring, S, Schroeder, G.F, Nimigean, C.M, Stahlberg, H. | Deposit date: | 2013-12-04 | Release date: | 2014-01-15 | Last modified: | 2024-05-08 | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | Cite: | Ligand-Induced Structural Changes in the Cyclic Nucleotide-Modulated Potassium Channel Mlok1 Nat.Commun., 5, 2014
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2E94
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![BU of 2e94 by Molmil](/molmil-images/mine/2e94) | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364 | Descriptor: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | Authors: | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | Deposit date: | 2007-01-24 | Release date: | 2007-06-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases Proc.Natl.Acad.Sci.Usa, 104, 2007
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1D6R
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![BU of 1d6r by Molmil](/molmil-images/mine/1d6r) | CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY | Descriptor: | BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR, TRYPSINOGEN | Authors: | Koepke, J, Ermler, U, Wenzl, G, Flecker, P. | Deposit date: | 1999-10-15 | Release date: | 2000-05-05 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity. J.Mol.Biol., 298, 2000
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2VJE
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![BU of 2vje by Molmil](/molmil-images/mine/2vje) | Crystal Structure of the MDM2-MDMX RING Domain Heterodimer | Descriptor: | CITRATE ANION, E3 UBIQUITIN-PROTEIN LIGASE MDM2, MDM4 PROTEIN, ... | Authors: | Mace, P.D, Linke, K, Smith, C.A, Day, C.L. | Deposit date: | 2007-12-10 | Release date: | 2008-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the MDM2/MDMX RING domain heterodimer reveals dimerization is required for their ubiquitylation in trans. Cell Death Differ., 15, 2008
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1AYY
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![BU of 1ayy by Molmil](/molmil-images/mine/1ayy) | GLYCOSYLASPARAGINASE | Descriptor: | GLYCOSYLASPARAGINASE | Authors: | Van Roey, P, Xuan, J. | Deposit date: | 1997-11-12 | Release date: | 1998-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Crystal structure of glycosylasparaginase from Flavobacterium meningosepticum. Protein Sci., 7, 1998
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3OW3
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![BU of 3ow3 by Molmil](/molmil-images/mine/3ow3) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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5SZY
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![BU of 5szy by Molmil](/molmil-images/mine/5szy) | Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases | Descriptor: | Acyl-CoA hydrolase, CHLORIDE ION, COENZYME A, ... | Authors: | Khandokar, Y.B, Srivastava, P, Forwood, J.K. | Deposit date: | 2016-08-15 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase. J. Biol. Chem., 292, 2017
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2VL4
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![BU of 2vl4 by Molmil](/molmil-images/mine/2vl4) | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | Descriptor: | (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2008-01-08 | Release date: | 2008-04-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases. Nat.Chem.Biol., 4, 2008
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5Z9Y
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![BU of 5z9y by Molmil](/molmil-images/mine/5z9y) | Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase | Authors: | Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y. | Deposit date: | 2018-02-05 | Release date: | 2018-04-11 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG). Biochem. Biophys. Res. Commun., 497, 2018
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3X2V
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![BU of 3x2v by Molmil](/molmil-images/mine/3x2v) | Michaelis-like complex of cAMP-dependent Protein Kinase Catalytic Subunit | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CARBONATE ION, MAGNESIUM ION, ... | Authors: | Das, A, Langan, P, Gerlits, O, Kovalevsky, A.Y, Heller, W.T. | Deposit date: | 2015-01-02 | Release date: | 2015-12-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Protein Kinase A Catalytic Subunit Primed for Action: Time-Lapse Crystallography of Michaelis Complex Formation. Structure, 23, 2015
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5CLP
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![BU of 5clp by Molmil](/molmil-images/mine/5clp) | Crystal Structure of CK2alpha with 3,4-dichlorophenethylamine bound | Descriptor: | 2-(3,4-dichlorophenyl)ethanamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | Deposit date: | 2015-07-16 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.684 Å) | Cite: | Specific inhibition of CK2 alpha from an anchor outside the active site. Chem Sci, 7, 2016
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5LIX
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![BU of 5lix by Molmil](/molmil-images/mine/5lix) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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5T1X
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![BU of 5t1x by Molmil](/molmil-images/mine/5t1x) | Crystal Structure of Native Tarin Lectin | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lectin, ... | Authors: | Pereira, P.R, Meagher, J.L, Stuckey, J.A. | Deposit date: | 2016-08-22 | Release date: | 2016-09-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | High-resolution crystal structures of Colocasia esculenta tarin lectin. Glycobiology, 27, 2017
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5T3N
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![BU of 5t3n by Molmil](/molmil-images/mine/5t3n) | Sp-2Cl-cAMPS bound to PKAR CBD2 | Descriptor: | (2S,4aR,6R,7R,7aS)-6-(6-amino-2-chloro-9H-purin-9-yl)-7-hydroxy-2-sulfanyltetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-2-one, IODIDE ION, cAMP-dependent protein kinase regulatory subunit | Authors: | Littler, D.R, Gilson, P. | Deposit date: | 2016-08-26 | Release date: | 2016-10-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Disrupting the Allosteric Interaction between the Plasmodium falciparum cAMP-dependent Kinase and Its Regulatory Subunit. J. Biol. Chem., 291, 2016
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1KKJ
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![BU of 1kkj by Molmil](/molmil-images/mine/1kkj) | Crystal Structure of Serine Hydroxymethyltransferase from B.stearothermophilus | Descriptor: | PYRIDOXAL-5'-PHOSPHATE, Serine Hydroxymethyltransferase | Authors: | Trivedi, V, Gupta, A, Jala, V.R, Saravanan, P, Rao, G.S.J, Rao, N.A, Savithri, H.S, Subramanya, H.S. | Deposit date: | 2001-12-09 | Release date: | 2002-07-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Crystal structure of binary and ternary complexes of serine hydroxymethyltransferase from Bacillus stearothermophilus: insights into the catalytic mechanism. J.Biol.Chem., 277, 2002
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7EJW
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![BU of 7ejw by Molmil](/molmil-images/mine/7ejw) | Crystal structure of FleN in complex with FleQ AAA+ doamain | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Chanchal, Banerjee, P, Raghav, S, Jain, D. | Deposit date: | 2021-04-02 | Release date: | 2021-12-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The antiactivator FleN uses an allosteric mechanism to regulate sigma 54 -dependent expression of flagellar genes in Pseudomonas aeruginosa . Sci Adv, 7, 2021
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3DJJ
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![BU of 3djj by Molmil](/molmil-images/mine/3djj) | Catalytic cycle of human glutathione reductase near 1 A resolution | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Glutathione reductase, ... | Authors: | Berkholz, D.S, Faber, H.R, Savvides, S.N, Karplus, P.A. | Deposit date: | 2008-06-23 | Release date: | 2008-08-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Catalytic cycle of human glutathione reductase near 1 A resolution. J.Mol.Biol., 382, 2008
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5YXZ
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![BU of 5yxz by Molmil](/molmil-images/mine/5yxz) | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | Deposit date: | 2017-12-07 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 To Be Published
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5YY1
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![BU of 5yy1 by Molmil](/molmil-images/mine/5yy1) | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... | Authors: | Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. | Deposit date: | 2017-12-07 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 To Be Published
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1Y2H
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![BU of 1y2h by Molmil](/molmil-images/mine/1y2h) | Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 1-(2-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester | Descriptor: | 1-(2-CHLOROPHENYL)-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, MAGNESIUM ION, ZINC ION, ... | Authors: | Card, G.L, Blasdel, L, England, B.P, Zhang, C, Suzuki, Y, Gillette, S, Fong, D, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-11-22 | Release date: | 2005-03-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat.Biotechnol., 23, 2005
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1B5T
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![BU of 1b5t by Molmil](/molmil-images/mine/1b5t) | ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MERCURY (II) ION, PROTEIN (METHYLENETETRAHYDROFOLATE REDUCTASE) | Authors: | Guenther, B.D, Sheppard, C.A, Tran, P, Rozen, R, Matthews, R.G, Ludwig, M.L. | Deposit date: | 1999-01-07 | Release date: | 1999-01-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The structure and properties of methylenetetrahydrofolate reductase from Escherichia coli suggest how folate ameliorates human hyperhomocysteinemia. Nat.Struct.Biol., 6, 1999
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