6FXT
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![BU of 6fxt by Molmil](/molmil-images/mine/6fxt) | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Glc | Descriptor: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | Deposit date: | 2018-03-09 | Release date: | 2018-08-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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7X12
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![BU of 7x12 by Molmil](/molmil-images/mine/7x12) | Crystal structure of ME1 in complex with NADPH | Descriptor: | MANGANESE (II) ION, NADP-dependent malic enzyme, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y. | Deposit date: | 2022-02-22 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1. Biochemistry, 61, 2022
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4RKA
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![BU of 4rka by Molmil](/molmil-images/mine/4rka) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 | Descriptor: | 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | Deposit date: | 2014-10-12 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A347 TO BE PUBLISHED
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6HQP
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![BU of 6hqp by Molmil](/molmil-images/mine/6hqp) | Crystal structure of GcoA F169V bound to guaiacol | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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6CHI
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![BU of 6chi by Molmil](/molmil-images/mine/6chi) | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 amide | Descriptor: | 3-hydroxy-17-(3-pyridyl)-androst-5,16-dien-6-amide, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E. | Deposit date: | 2018-02-22 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
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7X11
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![BU of 7x11 by Molmil](/molmil-images/mine/7x11) | Crystal structure of ME1 in complex with NADPH | Descriptor: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole, MANGANESE (II) ION, NADP-dependent malic enzyme, ... | Authors: | Amano, Y. | Deposit date: | 2022-02-22 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery and Characterization of a Novel Allosteric Small-Molecule Inhibitor of NADP + -Dependent Malic Enzyme 1. Biochemistry, 61, 2022
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7XK3
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![BU of 7xk3 by Molmil](/molmil-images/mine/7xk3) | Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, state 1 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CALCIUM ION, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H. | Deposit date: | 2022-04-19 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae. Nat Commun, 13, 2022
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5WQO
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![BU of 5wqo by Molmil](/molmil-images/mine/5wqo) | Crystal structure of a carbonyl reductase from Pseudomonas aeruginosa PAO1 in complex with NADP (condition I) | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Probable dehydrogenase, ... | Authors: | Li, S, Wang, Y, Bartlam, M. | Deposit date: | 2016-11-27 | Release date: | 2017-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure and characterization of a NAD(P)H-dependent carbonyl reductase from Pseudomonas aeruginosa PAO1. FEBS Lett., 591, 2017
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4KH1
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![BU of 4kh1 by Molmil](/molmil-images/mine/4kh1) | The R state structure of E. coli ATCase with CTP,UTP, and Magnesium bound | Descriptor: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | Deposit date: | 2013-04-29 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 52, 2013
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7XK6
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![BU of 7xk6 by Molmil](/molmil-images/mine/7xk6) | Cryo-EM structure of Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae, with aurachin D-42 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Aurachin D, CALCIUM ION, ... | Authors: | Kishikawa, J, Ishikawa, M, Masuya, T, Murai, M, Barquera, B, Miyoshi, H. | Deposit date: | 2022-04-19 | Release date: | 2022-07-20 | Last modified: | 2022-08-10 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of Na + -pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae. Nat Commun, 13, 2022
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7R50
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![BU of 7r50 by Molmil](/molmil-images/mine/7r50) | |
2W8R
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![BU of 2w8r by Molmil](/molmil-images/mine/2w8r) | |
2W2L
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![BU of 2w2l by Molmil](/molmil-images/mine/2w2l) | Crystal structure of the holo forms of Rhodotorula graminis D- mandelate dehydrogenase at 2.5A. | Descriptor: | D-MANDELATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Vachieri, S.G, Cole, A.R, Bagneris, C, Baker, D.P, Fewson, C.A, Basak, A.K. | Deposit date: | 2008-11-02 | Release date: | 2009-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the Apo and Holo Forms of Rhodotorula Graminis D(-)-Mandelate Dehydrogenase To be Published
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6GCS
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![BU of 6gcs by Molmil](/molmil-images/mine/6gcs) | |
6GDT
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![BU of 6gdt by Molmil](/molmil-images/mine/6gdt) | |
7XNA
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![BU of 7xna by Molmil](/molmil-images/mine/7xna) | Crystal structure of somatostatin receptor 2 (SSTR2) with peptide antagonist CYN 154806 | Descriptor: | CYN 154806, Somatostatin receptor type 2,Endo-1,4-beta-xylanase | Authors: | Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. | Deposit date: | 2022-04-28 | Release date: | 2022-08-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
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3DMX
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![BU of 3dmx by Molmil](/molmil-images/mine/3dmx) | |
4KTK
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![BU of 4ktk by Molmil](/molmil-images/mine/4ktk) | |
3DN3
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![BU of 3dn3 by Molmil](/molmil-images/mine/3dn3) | Iodopentafluorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant | Descriptor: | 1,2,3,4,5-pentafluoro-6-iodobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ... | Authors: | Liu, L, Matthews, B.W. | Deposit date: | 2008-07-01 | Release date: | 2008-11-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding. J.Mol.Biol., 385, 2009
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6G0N
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![BU of 6g0n by Molmil](/molmil-images/mine/6g0n) | Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae | Descriptor: | GLYCEROL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose, ... | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae. Acta Crystallogr D Struct Biol, 74, 2018
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3HT9
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![BU of 3ht9 by Molmil](/molmil-images/mine/3ht9) | 2-methoxyphenol in complex with T4 lysozyme L99A/M102Q | Descriptor: | BETA-MERCAPTOETHANOL, Guaiacol, Lysozyme, ... | Authors: | Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. | Deposit date: | 2009-06-11 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
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2WAR
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![BU of 2war by Molmil](/molmil-images/mine/2war) | Hen Egg White Lysozyme E35Q chitopentaose complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME C | Authors: | Davies, G.J, Withers, S.G, Vocadlo, D.J. | Deposit date: | 2009-02-13 | Release date: | 2010-02-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Chitopentaose Complex of a Mutant Hen Egg-White Lysozyme Displays No Distortion of the -1 Sugar Away from a 4C1 Chair Conformation Aust.J.Chem., 62, 2009
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4KMQ
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![BU of 4kmq by Molmil](/molmil-images/mine/4kmq) | 1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e | Descriptor: | Lmo2446 protein, MAGNESIUM ION | Authors: | Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-05-08 | Release date: | 2013-05-29 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis. Nat Microbiol, 2, 2016
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6HQS
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![BU of 6hqs by Molmil](/molmil-images/mine/6hqs) | Crystal structure of GcoA F169S bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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5WQS
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![BU of 5wqs by Molmil](/molmil-images/mine/5wqs) | Crystal structure of Apo Beta-Amylase from Sweet potato | Descriptor: | Beta-amylase, ISOPROPYL ALCOHOL | Authors: | Vajravijayan, S, Sergei, P, Nandhagopal, N, Gunasekaran, K. | Deposit date: | 2016-11-28 | Release date: | 2017-12-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights on starch hydrolysis by plant beta-amylase and its evolutionary relationship with bacterial enzymes Int. J. Biol. Macromol., 113, 2018
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