8BXT
 
 | | Structure of StayGold | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, StayGold | | Authors: | Ivorra-Molla, E, Akhuli, D, Crow, A. | | Deposit date: | 2022-12-09 | | Release date: | 2023-07-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A monomeric StayGold fluorescent protein.
Nat.Biotechnol., 2023
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5L11
 | | Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2 | | Descriptor: | (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Tif2 | | Authors: | Mays, S.G, Ortlund, E.A. | | Deposit date: | 2016-07-28 | | Release date: | 2016-10-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
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6UJ0
 | | Unbound BACE2 mutant structure | | Descriptor: | Beta-secretase 2, unidentified polypeptide | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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6ENH
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8E11
 | | Structure of mouse DNA polymerase Beta (PolB) mutant | | Descriptor: | ACETATE ION, DNA polymerase beta, MALONIC ACID | | Authors: | Sharma, N, Thompson, M.K, Prakash, A. | | Deposit date: | 2022-08-09 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Pol beta /XRCC1 heterodimerization dictates DNA damage recognition and basal Pol beta protein levels without interfering with mouse viability or fertility.
DNA Repair (Amst), 123, 2023
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5KUZ
 | | Human cyclophilin A at 278K, Data set 1 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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6ES4
 | | A cryptic RNA-binding domain mediates Syncrip recognition and exosomal partitioning of miRNA targets | | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Syncrip, ... | | Authors: | Hobor, F, Dallmann, A, Ball, N.J, Cicchini, C, Battistelli, C, Ogrodowicz, R.W, Christodoulou, E, Martin, S.R, Castello, A, Tripodi, M, Taylor, I.A, Ramos, A. | | Deposit date: | 2017-10-19 | | Release date: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A cryptic RNA-binding domain mediates Syncrip recognition and exosomal partitioning of miRNA targets.
Nat Commun, 9, 2018
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6UKM
 | | STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2 | | Descriptor: | 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain | | Authors: | Lesburg, C.A. | | Deposit date: | 2019-10-05 | | Release date: | 2020-08-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
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6UL5
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Pilch, A, Arnold, E. | | Deposit date: | 2019-10-06 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
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6OYD
 | | X-ray crystal structure of wild type HIV-1 protease in complex with GRL-004 | | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-[(2-methylpropyl)({2-[(propan-2-yl)amino]-1,3-benzoxazol-6-yl}sulfonyl)amino]butan-2-yl}carbamate, Protease | | Authors: | Bulut, H, Hattori, S.I, Aoki-Ogata, H, Hayashi, H, Aoki, M, Ghosh, A.K, Mitsuya, H. | | Deposit date: | 2019-05-14 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Single atom changes in newly synthesized HIV protease inhibitors reveal structural basis for extreme affinity, high genetic barrier, and adaptation to the HIV protease plasticity.
Sci Rep, 10, 2020
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7OOR
 | | NaK C-DI mutant with Na+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-05-28 | | Release date: | 2022-06-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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6WRQ
 | | Crystal structure of Mj 3-nitro-tyrosine tRNA synthetase (5B) S158C variant bound to 3-nitro-tyrosine | | Descriptor: | GLYCEROL, META-NITRO-TYROSINE, SODIUM ION, ... | | Authors: | Beyer, J.N, Hosseinzadeh, P, Karplus, P.A, Mehl, R.A, Cooley, R.B. | | Deposit date: | 2020-04-29 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Overcoming Near-Cognate Suppression in a Release Factor 1-Deficient Host with an Improved Nitro-Tyrosine tRNA Synthetase.
J.Mol.Biol., 432, 2020
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7R01
 | | BAZ2A bromodomain in complex with N-acetylpiperazine derivative fragment 18 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine, Bromodomain adjacent to zinc finger domain protein 2A, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-02-01 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.256 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7OPH
 | | NaK S-DI mutant with Na+ and K+ | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | Authors: | Minniberger, S, Plested, A.J.R. | | Deposit date: | 2021-05-31 | | Release date: | 2022-06-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors.
J.Mol.Biol., 435, 2023
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8GM4
 | | Functional construct of the Eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor | | Descriptor: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | | Deposit date: | 2023-03-24 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor.
J.Biol.Chem., 299, 2023
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6TVC
 | | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Haemagglutinin HA1, Haemagglutinin HA2 | | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | | Deposit date: | 2020-01-09 | | Release date: | 2020-10-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
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6OEH
 | | PolyAla Model of OMCC I-Layer | | Descriptor: | PolyAla Model of OMCC I-Layer | | Authors: | Chung, J.M, Sheedlo, M.J, Campbell, A, Sawhney, N, Frick-Cheng, A.E, Lacy, D.B, Cover, T.L, Ohi, M.D. | | Deposit date: | 2019-03-27 | | Release date: | 2019-07-03 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the Helicobacter pylori Cag type IV secretion system.
Elife, 8, 2019
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6WUP
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5ICF
 | | Crystal structure of (S)-norcoclaurine 6-O-methyltransferase with S-adenosyl-L-homocysteine and sanguinarine | | Descriptor: | (S)-norcoclaurine 6-O-methyltransferase, 1,2-ETHANEDIOL, 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, ... | | Authors: | Robin, A.Y, Graindorge, M, Giustini, C, Dumas, R, Matringe, M. | | Deposit date: | 2016-02-23 | | Release date: | 2016-06-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of norcoclaurine-6-O-methyltransferase, a key rate-limiting step in the synthesis of benzylisoquinoline alkaloids.
Plant J., 87, 2016
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5LAX
 | | Crystal structure of HLA_DRB1*04:01 in complex with alpha-enolase peptide 26-40 | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-4 beta chain, ... | | Authors: | Dubnovitsky, A, Kozhukh, G, Sandalova, T, Achour, A. | | Deposit date: | 2016-06-15 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Functional and Structural Characterization of a Novel HLA-DRB1*04:01-Restricted alpha-Enolase T Cell Epitope in Rheumatoid Arthritis.
Front Immunol, 7, 2016
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6X5R
 | | Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A2-Asn | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, A2-Asn, ... | | Authors: | Kadirvelraj, R, Wood, Z.A. | | Deposit date: | 2020-05-26 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
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5IGH
 | | Macrolide 2'-phosphotransferase type I | | Descriptor: | Macrolide 2'-phosphotransferase, SULFATE ION | | Authors: | Berghuis, A.M, Fong, D.H. | | Deposit date: | 2016-02-28 | | Release date: | 2017-04-26 | | Last modified: | 2020-01-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
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5IGV
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6X0I
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8EBM
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