5GTL
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![BU of 5gtl by Molmil](/molmil-images/mine/5gtl) | NADPH complex structure of Aldehyde Dehydrogenase from Bacillus cereus | Descriptor: | Betaine-aldehyde dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION | Authors: | Ngo, H.P.T, Hong, S.H, Ho, T.H, Oh, D.K, Kang, L.W. | Deposit date: | 2016-08-21 | Release date: | 2017-09-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structures of aldehyde dehydrogenase from Bacillus cereus having atypical bidirectional oxidizing and reducing activities for all-trans-retinal To Be Published
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4FR8
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![BU of 4fr8 by Molmil](/molmil-images/mine/4fr8) | Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Aldehyde dehydrogenase, ... | Authors: | Lang, B.S, Gruber, K. | Deposit date: | 2012-06-26 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Vascular Bioactivation of Nitroglycerin by Aldehyde Dehydrogenase-2: REACTION INTERMEDIATES REVEALED BY CRYSTALLOGRAPHY AND MASS SPECTROMETRY. J.Biol.Chem., 287, 2012
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4WNW
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![BU of 4wnw by Molmil](/molmil-images/mine/4wnw) | Human Cytochrome P450 2D6 Thioridazine Complex | Descriptor: | 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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4WO6
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![BU of 4wo6 by Molmil](/molmil-images/mine/4wo6) | Lysozyme Pre-surface acoustic wave | Descriptor: | Lysozyme C, SODIUM ION | Authors: | French, J.B. | Deposit date: | 2014-10-15 | Release date: | 2015-02-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves. Small, 11, 2015
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4X2L
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![BU of 4x2l by Molmil](/molmil-images/mine/4x2l) | Crystal structure of human BACE-1 bound to Compound 6 | Descriptor: | (4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Vajdos, F.F, Parris, K. | Deposit date: | 2014-11-26 | Release date: | 2015-03-04 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a Series of Efficient, Centrally Efficacious BACE1 Inhibitors through Structure-Based Drug Design. J.Med.Chem., 58, 2015
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4WOA
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![BU of 4woa by Molmil](/molmil-images/mine/4woa) | |
4GDI
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![BU of 4gdi by Molmil](/molmil-images/mine/4gdi) | A subtype N10 neuraminidase-like protein of A/little yellow-shouldered bat/Guatemala/164/2009 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2012-07-31 | Release date: | 2012-09-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structures of two subtype N10 neuraminidase-like proteins from bat influenza A viruses reveal a diverged putative active site. Proc.Natl.Acad.Sci.USA, 109, 2012
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4WNV
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![BU of 4wnv by Molmil](/molmil-images/mine/4wnv) | Human Cytochrome P450 2D6 Quinine Complex | Descriptor: | Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2014-10-14 | Release date: | 2015-01-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding. J.Biol.Chem., 290, 2015
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4X8L
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![BU of 4x8l by Molmil](/molmil-images/mine/4x8l) | Crystal structure of E. coli Adenylate kinase P177A mutant in complex with inhibitor Ap5a | Descriptor: | Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sauer-Eriksson, A.E, Kovermann, M, Aden, J, Grundstrom, C, Wolf-Watz, M, Sauer, U.H. | Deposit date: | 2014-12-10 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for catalytically restrictive dynamics of a high-energy enzyme state. Nat Commun, 6, 2015
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4WXG
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![BU of 4wxg by Molmil](/molmil-images/mine/4wxg) | Crystal structure of L-Serine Hydroxymethyltransferase in complex with a mixture of L-Threonine and Glycine | Descriptor: | GLYCEROL, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine, SODIUM ION, ... | Authors: | Hernandez, K, Zelen, I, Petrillo, G, Uson, I, Wandtke, C, Bujons, J, Joglar, J, Parella, T, Clapes, P. | Deposit date: | 2014-11-13 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered L-Serine Hydroxymethyltransferase from Streptococcus thermophilus for the Synthesis of alpha , alpha-Dialkyl-alpha-Amino Acids. Angew.Chem.Int.Ed.Engl., 54, 2015
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4WZI
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![BU of 4wzi by Molmil](/molmil-images/mine/4wzi) | |
4YY2
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4WR8
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![BU of 4wr8 by Molmil](/molmil-images/mine/4wr8) | Macrophage Migration Inhibitory Factor in complex with a biaryltriazole inhibitor (3b-180) | Descriptor: | 4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol, Macrophage migration inhibitory factor, SODIUM ION, ... | Authors: | Robertson, M.J, Baxter, R.H.G, Jorgensen, W.L. | Deposit date: | 2014-10-23 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design, synthesis, and protein crystallography of biaryltriazoles as potent tautomerase inhibitors of macrophage migration inhibitory factor. J.Am.Chem.Soc., 137, 2015
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6HZW
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![BU of 6hzw by Molmil](/molmil-images/mine/6hzw) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL 2.22 resolution | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-24 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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4RJY
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4X5L
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![BU of 4x5l by Molmil](/molmil-images/mine/4x5l) | Crystal structure of Dscam1 Ig7 domain, isoform 9 | Descriptor: | Down syndrome cell adhesion molecule, isoform AM, SODIUM ION | Authors: | Chen, Q, Yu, Y, Li, S.A, Cheng, L. | Deposit date: | 2014-12-05 | Release date: | 2015-12-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.374 Å) | Cite: | Structural basis of Dscam1 homodimerization: Insights into context constraint for protein recognition Sci Adv, 2, 2016
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6SPK
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![BU of 6spk by Molmil](/molmil-images/mine/6spk) | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 6 | Descriptor: | 2-selanyl-~{N}-[3-[4-(trifluoromethyl)phenyl]phenyl]benzamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Chantadul, V, Amporndanai, K, Wright, G, Shahid, M, Antonyuk, S, Hasnain, S. | Deposit date: | 2019-09-01 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
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4FEW
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![BU of 4few by Molmil](/molmil-images/mine/4few) | Crystal structure of the aminoglycoside phosphotransferase APH(3')-Ia, with substrate kanamycin and small molecule inhibitor pyrazolopyrimidine PP2 | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, ACETATE ION, Aminoglycoside 3'-phosphotransferase AphA1-IAB, ... | Authors: | Stogios, P.J, Evdokimova, E, Wawrzak, Z, Minasov, G, Egorova, O, Di Leo, R, Shakya, T, Spanogiannopoulos, P, Wright, G.D, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-30 | Release date: | 2012-06-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure-guided optimization of protein kinase inhibitors reverses aminoglycoside antibiotic resistance. Biochem.J., 454, 2013
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4FO2
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![BU of 4fo2 by Molmil](/molmil-images/mine/4fo2) | Heat-labile enterotoxin LT-IIb-B5(T13I) mutant | Descriptor: | ACETATE ION, Heat-labile enterotoxin IIB, B chain, ... | Authors: | Cody, V, Pace, J, Nawar, H, Liang, S, Connell, T, Hajishengallis, G. | Deposit date: | 2012-06-20 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-activity correlations of variant forms of the B pentamer of Escherichia coli type II heat-labile enterotoxin LT-IIb with Toll-like receptor 2 binding. Acta Crystallogr.,Sect.D, 68, 2012
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6UIO
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![BU of 6uio by Molmil](/molmil-images/mine/6uio) | Crystal structure of mouse CRES (Cystatin-Related Epididymal Spermatogenic) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cystatin-8, ... | Authors: | Dominguez, M.J, Cornwall, G.A, Hewetson, A, Sutton, R.B. | Deposit date: | 2019-10-01 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Maturation of the functional mouse CRES amyloid from globular form. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WN2
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3K1S
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![BU of 3k1s by Molmil](/molmil-images/mine/3k1s) | Crystal Structure of the PTS Cellobiose Specific Enzyme IIA from Bacillus anthracis | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PTS system, ... | Authors: | Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Kwon, K, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-28 | Release date: | 2009-10-13 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the PTS Cellobiose Specific Enzyme IIA from Bacillus anthracis To be Published
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3QAE
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![BU of 3qae by Molmil](/molmil-images/mine/3qae) | 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme a reductase, CITRIC ACID, GLYCEROL, ... | Authors: | Zhang, L, Feng, L, Zhou, L, Gui, J, Wan, J. | Deposit date: | 2011-01-10 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase of Streptococcus pneumoniae To be Published
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6CQP
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![BU of 6cqp by Molmil](/molmil-images/mine/6cqp) | High resolution crystal structure of FtsY-NG domain of E. coli | Descriptor: | GLYCEROL, SODIUM ION, Signal recognition particle receptor FtsY | Authors: | Faoro, C, Ataide, S.F. | Deposit date: | 2018-03-15 | Release date: | 2018-08-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.446 Å) | Cite: | Discovery of fragments that target key interactions in the signal recognition particle (SRP) as potential leads for a new class of antibiotics. PLoS ONE, 13, 2018
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6HZ1
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![BU of 6hz1 by Molmil](/molmil-images/mine/6hz1) | THE GLIC PENTAMERIC LIGAND-GATED ION CHANNEL MUTANT E243C | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2018-10-22 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Electrostatics, proton sensor, and networks governing the gating transition in GLIC, a proton-gated pentameric ion channel. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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