5G47
 
 | | Structure of Gc glycoprotein from severe fever with thrombocytopenia syndrome virus in the trimeric postfusion conformation | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, SFTSV GC | | Authors: | Halldorsson, S, Behrens, A.J, Harlos, K, Huiskonen, J.T, Elliott, R.M, Crispin, M, Brennan, B, Bowden, T.A. | | Deposit date: | 2016-05-05 | | Release date: | 2016-07-06 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of a Phleboviral Envelope Glycoprotein Reveals a Consolidated Model of Membrane Fusion.
Proc.Natl.Acad.Sci.USA, 113, 2016
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4QQX
 | | Crystal structure of T. fusca Cas3-ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ... | | Authors: | Ke, A, Huo, Y, Nam, K.H. | | Deposit date: | 2014-06-30 | | Release date: | 2014-08-20 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation.
Nat.Struct.Mol.Biol., 21, 2014
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4R7O
 | | Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Kim, Y, Zhou, M, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-28 | | Release date: | 2014-09-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.534 Å) | | Cite: | Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
To be Published
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6E5W
 | | Crystal structure of human cellular retinol binding protein 3 in complex with abnormal-cannabidiol (abn-CBD) | | Descriptor: | (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, GLYCEROL, Retinol-binding protein 5 | | Authors: | Silvaroli, J.A, Banerjee, S, Kiser, P.D, Golczak, M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1.
Acs Chem.Biol., 14, 2019
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5XCZ
 | | Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium in complex with cellobiose at 2.1 angstrom | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glucanase, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Tachioka, M, Nakamura, A, Ishida, T, Igarashi, K, Samejima, M. | | Deposit date: | 2017-03-24 | | Release date: | 2017-07-26 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium
Acta Crystallogr F Struct Biol Commun, 73, 2017
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4QSS
 | | Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-methylpyrrolidin-2-one, ATPase family AAA domain-containing protein 2, ... | | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-07-06 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based approaches towards identification of fragments for the low-druggability ATAD2 bromodomain
MedChemComm, 5, 2014
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7A8Y
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8AAB
 | | S148F mutant of blue-to-red fluorescent timer mRubyFT | | Descriptor: | mRubyFT S148F mutant of blue-to-red fluorescent timer | | Authors: | Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Dorovatovskii, P.V, Subach, O.M, Popov, V.O, Subach, F.V. | | Deposit date: | 2022-06-30 | | Release date: | 2022-08-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | mRubyFT/S147I, a mutant of blue-to-red fluorescent timer
Crystallography Reports, 2022
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6RH1
 | | Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 7 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ... | | Authors: | Mideros-Mora, C, Casino, P, Marina, A. | | Deposit date: | 2019-04-18 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
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6IAG
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6IBV
 | | Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd 1 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Celenza, G, Venturelli, A, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-11-30 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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4QX2
 | | Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the cctbx.xfel software suite | | Descriptor: | Pesticidal crystal protein cry3Aa | | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | | Deposit date: | 2014-07-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5K99
 | | Crystal structure of microcin immunity protein MccF from Bacillus anthracis in complex with McC | | Descriptor: | ADENOSINE MONOPHOSPHATE, Microcin C, Microcin C7 self-immunity protein mccF | | Authors: | Nocek, B, Kulikovsky, A, Severinov, K, Dubiley, S, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-05-31 | | Release date: | 2017-03-22 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structure of microcin immunity protein MccF from Bacillus anthracis in complex with McC
To Be Published
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8TYQ
 | | Structure of the C-terminal half of LRRK2 bound to GZD-824 (G2019S mutant) | | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, Designed Ankyrin Repeats Protein E11, Leucine-rich repeat serine/threonine-protein kinase 2 | | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | | Deposit date: | 2023-08-25 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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6S22
 | | Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and FGF23c | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R. | | Deposit date: | 2019-06-20 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3.
Nat.Chem.Biol., 16, 2020
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6XSD
 | | Patient-derived B2GPI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-glycoprotein 1 | | Authors: | Klenotic, P.A, Yu, E.W.Y. | | Deposit date: | 2020-07-15 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | B2-Glycoprotein I and it's role in APS
To Be Published
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5K5B
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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8TZH
 | | Structure of full-length LRRK2 bound to MLi-2 (I2020T mutant) | | Descriptor: | (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine, E11 DARPin, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Sanz-Murillo, M, Villagran-Suarez, A, Alegrio Louro, J, Leschziner, A. | | Deposit date: | 2023-08-26 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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4Y0A
 | | Shikimate kinase from Acinetobacter baumannii in complex with shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, Shikimate kinase | | Authors: | Sutton, K.A, Breen, J, MacDonald, U, Beanan, J.M, Olson, R, Russo, T.A, Schultz, L.W, Umland, T.C. | | Deposit date: | 2015-02-05 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate.
Acta Crystallogr.,Sect.D, 71, 2015
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5GJF
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 3 | | Descriptor: | N-(2-isopropoxy-4-(4-methylpiperazine-1-carbonyl)phenyl)-2-(3-(3-phenylureido)phenyl)thiazole-4-carboxamide, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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6I6R
 | | New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes | | Descriptor: | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ... | | Authors: | Gloster, T.M, McMahon, S.A, Oehler, V. | | Deposit date: | 2018-11-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | New Irreversible alpha-l-Iduronidase Inhibitors and Activity-Based Probes.
Chemistry, 24, 2018
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4QY8
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8) in complex with 3D7-MSP2 14-30 | | Descriptor: | Fv fragment(mAb6D8) heavy chain, Fv fragment(mAb6D8) light chain, Merozoite surface antigen 2 | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-07-24 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.353 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate.
Sci Rep, 5, 2015
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8QMX
 | | OPR3 wildtype in complex with NADPH4 | | Descriptor: | 12-oxophytodienoate reductase 3, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Bijelic, A, Macheroux, P, Kerschbaumer, B. | | Deposit date: | 2023-09-25 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Loop 6 and the beta-hairpin flap are structural hotspots that determine cofactor specificity in the FMN-dependent family of ene-reductases.
Febs J., 291, 2024
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6U9L
 | | Imidazole-triggered RAS-specific subtilisin SUBT_BACAM | | Descriptor: | GLYCEROL, POTASSIUM ION, SUBTILISIN BPN', ... | | Authors: | Toth, E.A, Bryan, P.N, Orban, J. | | Deposit date: | 2019-09-09 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Engineering subtilisin proteases that specifically degrade active RAS.
Commun Biol, 4, 2021
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8TZF
 | | Structure of full length LRRK2 bound to GZD-824 (I2020T mutant) | | Descriptor: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, Leucine-rich repeat serine/threonine-protein kinase 2, ... | | Authors: | Villagran-Suarez, A, Sanz-Murillo, M, Alegrio-Louro, J, Leschziner, A. | | Deposit date: | 2023-08-26 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Inhibition of Parkinson's disease-related LRRK2 by type I and type II kinase inhibitors: Activity and structures.
Sci Adv, 9, 2023
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