5X4X
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![BU of 5x4x by Molmil](/molmil-images/mine/5x4x) | Mutant human thymidylate synthase A191K crystallized in a sulfate-containing condition | Descriptor: | SULFATE ION, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-14 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5X5I
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![BU of 5x5i by Molmil](/molmil-images/mine/5x5i) | The X-ray crystal structure of a TetR family transcription regulator RcdA involved in the regulation of biofilm formation in Escherichia coli | Descriptor: | HTH-type transcriptional regulator RcdA | Authors: | Sugino, H, Usui, M, Shimada, T, Nakano, M, Ogasawara, H, Ishihama, A, Hirata, A. | Deposit date: | 2017-02-16 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (2.554 Å) | Cite: | A structural sketch of RcdA, a transcription factor controlling the master regulator of biofilm formation. FEBS Lett., 591, 2017
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5X69
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![BU of 5x69 by Molmil](/molmil-images/mine/5x69) | Human thymidylate synthase with a fragment bound in the dimer interface | Descriptor: | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-21 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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6FTR
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![BU of 6ftr by Molmil](/molmil-images/mine/6ftr) | Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Wiedorn, M.O, Oberthuer, D, Barty, A, Chapman, H.N. | Deposit date: | 2018-02-23 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76000106 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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6YWP
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![BU of 6ywp by Molmil](/molmil-images/mine/6ywp) | Structure of apo-CutA | Descriptor: | CutA, MAGNESIUM ION | Authors: | Malik, D, Kobylecki, K, Krawczyk, P, Poznanski, J, Jakielaszek, A, Napiorkowska, A, Dziembowski, A, Tomecki, R, Nowotny, M. | Deposit date: | 2020-04-29 | Release date: | 2020-08-05 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and mechanism of CutA, RNA nucleotidyl transferase with an unusual preference for cytosine. Nucleic Acids Res., 48, 2020
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6VCQ
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![BU of 6vcq by Molmil](/molmil-images/mine/6vcq) | Crystal structure of E.coli RppH in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RNA pyrophosphohydrolase, SULFATE ION | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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5X5D
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![BU of 5x5d by Molmil](/molmil-images/mine/5x5d) | Human thymidylate synthase bound with dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | Deposit date: | 2017-02-15 | Release date: | 2017-06-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states J. Biol. Chem., 292, 2017
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5GVN
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![BU of 5gvn by Molmil](/molmil-images/mine/5gvn) | Plasmodium vivax SHMT bound with PLP-glycine and GS653 | Descriptor: | 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ... | Authors: | Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G. | Deposit date: | 2016-09-06 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures J. Med. Chem., 60, 2017
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5Z6O
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![BU of 5z6o by Molmil](/molmil-images/mine/5z6o) | Crystal structure of Penicillium cyclopium protease | Descriptor: | CALCIUM ION, phenylmethanesulfonic acid, protease | Authors: | Ko, T.-P, Koszelak, S, Ng, J, Day, J, Greenwood, A, McPherson, A. | Deposit date: | 2018-01-24 | Release date: | 2018-02-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystallographic structure of the subtilisin protease from Penicillium cyclopium. Biochemistry, 36, 1997
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5H85
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![BU of 5h85 by Molmil](/molmil-images/mine/5h85) | |
5JTB
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![BU of 5jtb by Molmil](/molmil-images/mine/5jtb) | Crystal structure of the chimeric protein of A2aAR-BRIL with bound iodide ions | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Melnikov, I, Polovinkin, V, Shevtsov, M, Borshchevskiy, V, Cherezov, V, Popov, A, Gordeliy, V. | Deposit date: | 2016-05-09 | Release date: | 2017-05-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination. Sci Adv, 3, 2017
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6GTH
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![BU of 6gth by Molmil](/molmil-images/mine/6gth) | Serial Femtosecond Crystallography at Megahertz pulse rates | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | Authors: | Wiedorn, M, Oberthuer, D, Werner, N, Schubert, R, White, T.A, Mancuso, A, Perbandt, M, Betzel, C, Barty, A, Chapman, H. | Deposit date: | 2018-06-18 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Megahertz serial crystallography. Nat Commun, 9, 2018
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6BR5
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![BU of 6br5 by Molmil](/molmil-images/mine/6br5) | N2 neuraminidase in complex with a novel antiviral compound | Descriptor: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | Deposit date: | 2017-11-30 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.0379076 Å) | Cite: | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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5ITZ
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![BU of 5itz by Molmil](/molmil-images/mine/5itz) | |
6TPC
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![BU of 6tpc by Molmil](/molmil-images/mine/6tpc) | Crystal structure of Endoglucanase N194A from Penicillium verruculosum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, PHOSPHATE ION, ... | Authors: | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | Deposit date: | 2019-12-13 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5221895 Å) | Cite: | Crystal structure of Endoglucanase N194A from Penicillium verruculosum To Be Published
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5WRU
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6TPE
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![BU of 6tpe by Molmil](/molmil-images/mine/6tpe) | Fragment-based discovery of pyrazolopyridones as JAK1 inhibitors with excellent subtype selectivity | Descriptor: | 2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile, Tyrosine-protein kinase JAK1 | Authors: | Hansen, B.B, Jepsen, T.H, Larsen, M, Sindet, R, Vifian, T, Burhardt, M.N, Larsen, J, Seitzberg, J.G, Carnerup, M.A, Jerre, A, Molck, C, Rai, S, Nasipireddy, V.R, Jestel, A, Lammens, A, Ritzen, A. | Deposit date: | 2019-12-13 | Release date: | 2020-06-10 | Last modified: | 2020-07-22 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Fragment-Based Discovery of Pyrazolopyridones as JAK1 Inhibitors with Excellent Subtype Selectivity. J.Med.Chem., 63, 2020
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6VCN
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![BU of 6vcn by Molmil](/molmil-images/mine/6vcn) | Crystal structure of E.coli RppH in complex with ppcpG | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, RNA pyrophosphohydrolase, SULFATE ION | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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6VAN
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![BU of 6van by Molmil](/molmil-images/mine/6van) | Crystal structure of caltubin from the great pond snail | Descriptor: | 1,2-ETHANEDIOL, Caltubin, EF-hand, ... | Authors: | Dong, A, Li, A, Zhang, Q, Barszczyk, A, Chern, Y.H, Arrowsmith, C.H, Edwards, A.M, Zhong, Z.P, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-17 | Release date: | 2020-12-23 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Cell-penetrating caltubin promotes neurite outgrowth and regrowth through calcium-dependent microtubule regulation to be published
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1AOZ
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![BU of 1aoz by Molmil](/molmil-images/mine/1aoz) | REFINED CRYSTAL STRUCTURE OF ASCORBATE OXIDASE AT 1.9 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASCORBATE OXIDASE, COPPER (II) ION, ... | Authors: | Messerschmidt, A, Ladenstein, R, Huber, R. | Deposit date: | 1992-01-08 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Refined crystal structure of ascorbate oxidase at 1.9 A resolution. J.Mol.Biol., 224, 1992
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5YWX
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![BU of 5ywx by Molmil](/molmil-images/mine/5ywx) | Crystal structure of hematopoietic prostaglandin D synthase in complex with F092 | Descriptor: | GLUTATHIONE, GLYCEROL, Hematopoietic prostaglandin D synthase, ... | Authors: | Kamo, M, Furubayashi, N, Inaka, K, Aritake, K, Omura, A, Tanaka, A. | Deposit date: | 2017-11-30 | Release date: | 2018-09-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Characterization of crystal water molecules in a high-affinity inhibitor and hematopoietic prostaglandin D synthase complex by interaction energy studies. Bioorg. Med. Chem., 26, 2018
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5Z48
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![BU of 5z48 by Molmil](/molmil-images/mine/5z48) | Crystal structure of pyrrolidone carboxylate peptidase I from Deinococcus radiodurans R1 bound to pyroglutamate | Descriptor: | DIMETHYL SULFOXIDE, PYROGLUTAMIC ACID, Pyrrolidone-carboxylate peptidase, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2018-01-10 | Release date: | 2019-01-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition. Acta Crystallogr D Struct Biol, 75, 2019
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1B44
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![BU of 1b44 by Molmil](/molmil-images/mine/1b44) | CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY | Descriptor: | PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN) | Authors: | Matkovic-Calogovic, D, Loregian, A, D'Acunto, M.R, Battistutta, R, Tossi, A, Palu, G, Zanotti, G. | Deposit date: | 1999-01-04 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of the B subunit of Escherichia coli heat-labile enterotoxin carrying peptides with anti-herpes simplex virus type 1 activity. J.Biol.Chem., 274, 1999
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5WC1
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![BU of 5wc1 by Molmil](/molmil-images/mine/5wc1) | katanin AAA ATPase domain | Descriptor: | Meiotic spindle formation protein mei-1, SULFATE ION | Authors: | Szyk, A, Roll-Mecak, A. | Deposit date: | 2017-06-29 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Katanin spiral and ring structures shed light on power stroke for microtubule severing. Nat. Struct. Mol. Biol., 24, 2017
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6IEN
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![BU of 6ien by Molmil](/molmil-images/mine/6ien) | Substrate/product bound Argininosuccinate lyase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, ARGININE, ARGININOSUCCINATE, ... | Authors: | Paul, A, Mishra, A, Surolia, A, Vijayan, M. | Deposit date: | 2018-09-14 | Release date: | 2019-02-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural studies on M. tuberculosis argininosuccinate lyase and its liganded complex: Insights into catalytic mechanism. IUBMB Life, 71, 2019
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