7FD7
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![BU of 7fd7 by Molmil](/molmil-images/mine/7fd7) | The 1.00 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluoroheptanoic acid | Descriptor: | Fatty acid-binding protein, heart, PENTAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | Deposit date: | 2021-07-16 | Release date: | 2022-07-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The 1.00 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluoroheptanoic acid To Be Published
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1R2M
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![BU of 1r2m by Molmil](/molmil-images/mine/1r2m) | Atomic resolution structure of the HFBII hydrophobin: a self-assembling amphiphile | Descriptor: | Hydrophobin II, MANGANESE (II) ION | Authors: | Hakanpaa, J, Paananen, A, Askolin, S, Nakari-Setala, T, Parkkinen, T, Penttila, M, Linder, M.B, Rouvinen, J. | Deposit date: | 2003-09-29 | Release date: | 2004-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic resolution structure of the HFBII hydrophobin, a self-assembling amphiphile. J.Biol.Chem., 279, 2004
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8DPY
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8OKQ
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![BU of 8okq by Molmil](/molmil-images/mine/8okq) | Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_2 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{R},9~{S},10~{R},13~{S},14~{S})-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-29 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Carbonic Anhydrase in Complex with Steriod_Sulphamoyl To Be Published
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4JP6
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4DP9
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![BU of 4dp9 by Molmil](/molmil-images/mine/4dp9) | The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 6.0 | Descriptor: | COPPER (II) ION, Plastocyanin A, chloroplastic | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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5WKB
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![BU of 5wkb by Molmil](/molmil-images/mine/5wkb) | MicroED structure of the segment, NFGEFS, from the A315E familial variant of the low complexity domain of TDP-43, residues 312-317 | Descriptor: | TAR DNA-binding protein 43 | Authors: | Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | Deposit date: | 2017-07-24 | Release date: | 2018-05-23 | Last modified: | 2024-03-13 | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | Cite: | Atomic structures of TDP-43 LCD segments and insights into reversible or pathogenic aggregation. Nat. Struct. Mol. Biol., 25, 2018
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4DRQ
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![BU of 4drq by Molmil](/molmil-images/mine/4drq) | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1S)-1-[({(2S)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Wang, Y, Hoogeland, B, Bracher, A, Hausch, F, Schneider, S. | Deposit date: | 2012-02-17 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
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1C0R
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![BU of 1c0r by Molmil](/molmil-images/mine/1c0r) | COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | Deposit date: | 1999-07-20 | Release date: | 1999-07-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding. J.Med.Chem., 42, 1999
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7FR6
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7FR5
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5MAJ
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![BU of 5maj by Molmil](/molmil-images/mine/5maj) | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-03 | Release date: | 2017-01-11 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket. ChemMedChem, 12, 2017
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7FRA
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7FR7
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7FR8
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7FRB
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7FR4
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7FR3
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3GHS
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![BU of 3ghs by Molmil](/molmil-images/mine/3ghs) | Human aldose reductase in complex with NADP+ and the inhibitor IDD594. Investigation of global effects of radiation damage on protein structure. Second stage of radiation damage. | Descriptor: | Aldose reductase, CITRIC ACID, IDD594, ... | Authors: | Petrova, T, Ginell, S, Hazemann, I, Mitschler, A, Podjarny, A, Joachimiak, A. | Deposit date: | 2009-03-04 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | X-ray-radiation-induced cooperative atomic movements in protein. J.Mol.Biol., 387, 2009
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7FRC
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7FRD
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7FR9
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8B8F
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![BU of 8b8f by Molmil](/molmil-images/mine/8b8f) | Atomic structure of the beta-trefoil domain of the Laccaria bicolor lectin LBL in complex with lactose | Descriptor: | N-terminal beta-trefoil domain of the lectin LBL from Laccaria bicolor, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Acebron, I, Campanero-Rhodes, M.A, Solis, D, Menendez, M, Garcia, C, Lillo, M.P, Mancheno, J.M. | Deposit date: | 2022-10-04 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic crystal structure and sugar specificity of a beta-trefoil lectin domain from the ectomycorrhizal basidiomycete Laccaria bicolor. Int.J.Biol.Macromol., 233, 2023
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5WS7
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![BU of 5ws7 by Molmil](/molmil-images/mine/5ws7) | Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 2-oxo-dATP | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, SODIUM ION, [[(2R,3S,5R)-5-(6-azanyl-2-oxidanylidene-1H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Authors: | Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y. | Deposit date: | 2016-12-05 | Release date: | 2017-01-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity J. Biol. Chem., 292, 2017
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6Q49
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![BU of 6q49 by Molmil](/molmil-images/mine/6q49) | CDK2 in complex with FragLite6 | Descriptor: | 4-bromanyl-1~{H}-pyridin-2-one, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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