8OV8
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![BU of 8ov8 by Molmil](/molmil-images/mine/8ov8) | Crystal structure of Ene-reductase 1 from black poplar mushroom in complex to NADP | Descriptor: | Ene-reductase 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | Authors: | Korf, L, Essen, L.-O, Karrer, D, Ruehl, M. | Deposit date: | 2023-04-25 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Shifting the substrate scope of an ene/yne-reductase by loop engineering To Be Published
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5ZBQ
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![BU of 5zbq by Molmil](/molmil-images/mine/5zbq) | The Crystal Structure of human neuropeptide Y Y1 receptor with UR-MK299 | Descriptor: | Neuropeptide Y receptor type 1,T4 Lysozyme, N~2~-(diphenylacetyl)-N-[(4-hydroxyphenyl)methyl]-N~5~-(N'-{[2-(propanoylamino)ethyl]carbamoyl}carbamimidoyl)-D-ornithinamide | Authors: | Yang, Z, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2018-02-12 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of ligand binding modes at the neuropeptide Y Y1receptor Nature, 556, 2018
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1KDO
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![BU of 1kdo by Molmil](/molmil-images/mine/1kdo) | CYTIDINE MONOPHOSPHATE KINASE FROM E. COLI IN COMPLEX WITH CYTIDINE MONOPHOSPHATE | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, CYTIDYLATE KINASE, SULFATE ION | Authors: | Bertrand, T, Briozzo, P, Assairi, L, Ofiteru, A, Bucurenci, N, Munier-Lehmann, H, Golinelli-Pimpaneau, B, Barzu, O, Gilles, A.M. | Deposit date: | 2001-11-13 | Release date: | 2002-01-22 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sugar specificity of bacterial CMP kinases as revealed by crystal structures and mutagenesis of Escherichia coli enzyme. J.Mol.Biol., 315, 2002
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5ZF9
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![BU of 5zf9 by Molmil](/molmil-images/mine/5zf9) | Structure of human dihydroorotate dehydrogenase in complex with 280-12 | Descriptor: | 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K. | Deposit date: | 2018-03-02 | Release date: | 2018-09-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions. Front Pharmacol, 9, 2018
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5KLS
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![BU of 5kls by Molmil](/molmil-images/mine/5kls) | Structure of CavAb in complex with Br-dihydropyridine derivative UK-59811 | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ... | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2016-06-25 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.299 Å) | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
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3RGV
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![BU of 3rgv by Molmil](/molmil-images/mine/3rgv) | A single TCR bound to MHCI and MHC II reveals switchable TCR conformers | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Dai, S, Huseby, E, Scott-Browne, J, Rubtsova, K, Pinilla, C, Crawford, F, Marrack, P, Yin, L, Kappler, J.W. | Deposit date: | 2011-04-09 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Single T Cell Receptor Bound to Major Histocompatibility Complex Class I and Class II Glycoproteins Reveals Switchable TCR Conformers. Immunity, 35, 2011
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8BAC
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![BU of 8bac by Molmil](/molmil-images/mine/8bac) | Crystal structure of human heparanase in complex with competitive inhibitor GD05 | Descriptor: | (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Armstrong, Z, Davies, G.J. | Deposit date: | 2022-10-11 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase. Chembiochem, 24, 2023
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3TNU
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![BU of 3tnu by Molmil](/molmil-images/mine/3tnu) | Heterocomplex of coil 2B domains of human intermediate filament proteins, keratin 5 (KRT5) and keratin 14 (KRT14) | Descriptor: | Keratin, type I cytoskeletal 14, type II cytoskeletal 5 | Authors: | Lee, C.H, Kim, M.S, Leahy, D.J, Coulombe, P.A. | Deposit date: | 2011-09-02 | Release date: | 2012-06-20 | Last modified: | 2012-08-01 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | Structural basis for heteromeric assembly and perinuclear organization of keratin filaments. Nat.Struct.Mol.Biol., 19, 2012
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2ZSC
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![BU of 2zsc by Molmil](/molmil-images/mine/2zsc) | Tamavidin2, Novel Avidin-like Biotin-Binding Proteins from an Edible Mushroom | Descriptor: | BIOTIN, GLYCEROL, MAGNESIUM ION, ... | Authors: | Kakuta, Y, Okino, N, Ito, M, Yamamoto, T, Takakura, Y. | Deposit date: | 2008-09-05 | Release date: | 2009-02-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Tamavidins--novel avidin-like biotin-binding proteins from the Tamogitake mushroom Febs J., 276, 2009
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5KPM
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![BU of 5kpm by Molmil](/molmil-images/mine/5kpm) | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | Descriptor: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | Authors: | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | Deposit date: | 2016-07-04 | Release date: | 2018-03-14 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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1BKE
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![BU of 1bke by Molmil](/molmil-images/mine/1bke) | HUMAN SERUM ALBUMIN IN A COMPLEX WITH MYRISTIC ACID AND TRI-IODOBENZOIC ACID | Descriptor: | 2,3,5-TRIIODOBENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN | Authors: | Curry, S, Mandelkow, H, Brick, P, Franks, N. | Deposit date: | 1998-07-06 | Release date: | 1999-01-13 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Crystal structure of human serum albumin complexed with fatty acid reveals an asymmetric distribution of binding sites. Nat.Struct.Biol., 5, 1998
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5ZH0
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![BU of 5zh0 by Molmil](/molmil-images/mine/5zh0) | Crystal Structures of Endo-beta-1,4-xylanase II | Descriptor: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION | Authors: | Zhang, X, Wan, Q, Li, Z. | Deposit date: | 2018-03-10 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal Structures of Endo-beta-1,4-xylanase II To be published
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5VDN
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![BU of 5vdn by Molmil](/molmil-images/mine/5vdn) | 1.55 Angstrom Resolution Crystal Structure of Glutathione Reductase from Yersinia pestis in Complex with FAD | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Glutathione oxidoreductase, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-04-03 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 1.55 Angstrom Resolution Crystal Structure of Glutathione Reductase from Yersinia pestis in Complex with FAD. To Be Published
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5ZJB
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5KMH
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![BU of 5kmh by Molmil](/molmil-images/mine/5kmh) | Structure of CavAb in complex with Br-verapamil | Descriptor: | (2~{R})-2-(2-bromophenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile, 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ... | Authors: | Tang, L, Gamal EL-Din, T.M, Swanson, T.M, Pryde, D.C, Scheuer, T, Zheng, N, Catterall, W.A. | Deposit date: | 2016-06-27 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for inhibition of a voltage-gated Ca(2+) channel by Ca(2+) antagonist drugs. Nature, 537, 2016
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8OPI
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![BU of 8opi by Molmil](/molmil-images/mine/8opi) | VHH Z70 mutant 1 in interaction with PHF6 Tau peptide | Descriptor: | PHF6 Tau peptide, VHH Z70 mutant 1 | Authors: | Dupre, E, Mortelecque, J, NGuyen, M, Hanoulle, X, Landrieu, I. | Deposit date: | 2023-04-07 | Release date: | 2023-05-31 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | A selection and optimization strategy for single-domain antibodies targeting the PHF6 linear peptide within the tau intrinsically disordered protein. J.Biol.Chem., 300, 2024
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5VEX
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![BU of 5vex by Molmil](/molmil-images/mine/5vex) | Structure of the human GLP-1 receptor complex with NNC0640 | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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8BQP
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![BU of 8bqp by Molmil](/molmil-images/mine/8bqp) | Hen Egg-White Lysozyme (HEWL) complexed with methyl-functionalised Anderson-Evans polyoxometalate | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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8OUC
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![BU of 8ouc by Molmil](/molmil-images/mine/8ouc) | Escherichia coli DPS | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA protection during starvation protein | Authors: | Kovalenko, V.V, Loiko, N.G, Tereshkina, K.B, Tereshkin, E.V, Chulichkov, A.L, Popov, A.N, Krupyanskii, Y.F. | Deposit date: | 2023-04-22 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Escherichia coli DPS To be published
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5ZKN
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3PBT
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![BU of 3pbt by Molmil](/molmil-images/mine/3pbt) | Crystal structure of PBP3 complexed with MC-1 | Descriptor: | (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate, Penicillin-binding protein 3 | Authors: | Han, S, Evdokimov, A. | Deposit date: | 2010-10-20 | Release date: | 2010-12-22 | Last modified: | 2012-02-08 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis for effectiveness of siderophore-conjugated monocarbams against clinically relevant strains of Pseudomonas aeruginosa. Proc.Natl.Acad.Sci.USA, 107, 2010
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5ZLE
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![BU of 5zle by Molmil](/molmil-images/mine/5zle) | Human duodenal cytochrome b (Dcytb) in substrate free form | Descriptor: | Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H. | Deposit date: | 2018-03-27 | Release date: | 2018-10-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate. Commun Biol, 1, 2018
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5KML
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![BU of 5kml by Molmil](/molmil-images/mine/5kml) | |
5D9B
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![BU of 5d9b by Molmil](/molmil-images/mine/5d9b) | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against native data) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | Deposit date: | 2015-08-18 | Release date: | 2015-09-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography. Sci Rep, 5, 2015
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8BQT
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![BU of 8bqt by Molmil](/molmil-images/mine/8bqt) | Hen Egg-White Lysozyme (HEWL) complexed with two methyl-functionalised Anderson-Evans polyoxometalates | Descriptor: | CHLORIDE ION, Lysozyme C, Mn-Mo(6)-O(24)-C(10) cluster | Authors: | Lentink, S, Salazar Marcano, D.E, Moussawi, M.A, Vandebroek, L, Van Meervelt, L, Parac-Vogt, T.N. | Deposit date: | 2022-11-21 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Fine-tuning non-covalent interactions between hybrid metal-oxo clusters and proteins. Faraday Disc.Chem.Soc, 244, 2023
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