5A5G
 
 | | Crystal structure of FTHFS2 from T.acetoxydans Re1 | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMATE--TETRAHYDROFOLATE LIGASE, GLYCEROL, ... | | Authors: | Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M. | | Deposit date: | 2015-06-17 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published
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3M6G
 | | Crystal structure of actin in complex with lobophorolide | | Descriptor: | (1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Allingham, J.S. | | Deposit date: | 2010-03-15 | | Release date: | 2010-09-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Two molecules of lobophorolide cooperate to stabilize an actin dimer using both their "ring" and "tail" region.
Chem.Biol., 17, 2010
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6IMD
 | | Crystal structure of PDE4D complexed with a novel inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | | Authors: | Zhang, X, Su, H, Xu, Y. | | Deposit date: | 2018-10-22 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
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6S5U
 | | Strictosidine Synthase from Ophiorrhiza pumila in complex with N-[2-(1H-Indol-3-yl)ethyl]-3-methyl-1-butanamine | | Descriptor: | Strictosidine synthase, ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-3-methyl-butan-1-amine | | Authors: | Eger, E, Sharma, M, Kroutil, W, Grogan, G. | | Deposit date: | 2019-07-02 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Inverted Binding of Non-natural Substrates in Strictosidine Synthase Leads to a Switch of Stereochemical Outcome in Enzyme-Catalyzed Pictet-Spengler Reactions.
J.Am.Chem.Soc., 142, 2020
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3MA7
 | | Crystal structure of Cardiolipin bound to mouse CD1D | | Descriptor: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zajonc, D.M. | | Deposit date: | 2010-03-23 | | Release date: | 2011-03-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Cardiolipin Binds to CD1d and Stimulates CD1d-Restricted {gamma}{delta} T Cells in the Normal Murine Repertoire.
J.Immunol., 186, 2011
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5A4J
 | | Crystal structure of FTHFS1 from T.acetoxydans Re1 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, D(-)-TARTARIC ACID, ... | | Authors: | Bergdahl, R, Jacobson, F, Muller, B, Mikkelsen, N, Schurer, A, Sandgren, M. | | Deposit date: | 2015-06-10 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Characterization, Crystallization and Three- Dimensional Structures of Formyltetrahydrofolate Synthetase (Fthfs) from the Syntrophic Acetate Oxidising Bacterium Tepidanaerobacter Acetatoxydans Re1
To be Published
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3N0E
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7K5M
 | | CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION | | Descriptor: | Capsid protein, ISOPROPYL ALCOHOL, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | | Authors: | Kuduk, S.D, Stoops, B, Alexander, R, Lam, A.M, Espiritu, C, Vogel, R, Lau, V, Klumpp, K, Flores, O.A, Hartman, G.D, Lukacs, C.M, Abendroth, J. | | Deposit date: | 2020-09-17 | | Release date: | 2021-07-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Identification of a new class of HBV capsid assembly modulator.
Bioorg.Med.Chem.Lett., 39, 2021
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3N0D
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3MXX
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5AV9
 | | human nucleosome core particle | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Wakamori, M, Fujii, Y, Umehara, T, Yokoyama, S. | | Deposit date: | 2015-06-12 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Intra- and inter-nucleosomal interactions of the histone H4 tail revealed with a human nucleosome core particle with genetically-incorporated H4 tetra-acetylation
Sci Rep, 5, 2015
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6MIA
 | | Crystal structure of CTX-M-14 with compound 6 | | Descriptor: | 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase | | Authors: | Akhtar, A, Chen, Y. | | Deposit date: | 2018-09-19 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.399 Å) | | Cite: | Active-Site Druggability of Carbapenemases and Broad-Spectrum Inhibitor Discovery.
Acs Infect Dis., 5, 2019
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3NM0
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-(2,2-Difluoro-2-phenylethylamino)ethoxy) pyrrolidin-3-yl)methyl)-4-methyl-3,4,5,6-tetrahydropyridin-2-amine | | Descriptor: | (4S,6S)-6-{[(3R,4R)-4-{2-[(2,2-difluoro-2-phenylethyl)amino]ethoxy}pyrrolidin-3-yl]methyl}-4-methyl-3,4,5,6-tetrahydropyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Potent, highly selective, and orally bioavailable gem-difluorinated monocationic inhibitors of neuronal nitric oxide synthase.
J.Am.Chem.Soc., 132, 2010
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5AV8
 | | human nucleosome core particle | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Wakamori, M, Fujii, Y, Umehara, T, Yokoyama, S. | | Deposit date: | 2015-06-12 | | Release date: | 2015-12-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Intra- and inter-nucleosomal interactions of the histone H4 tail revealed with a human nucleosome core particle with genetically-incorporated H4 tetra-acetylation
Sci Rep, 5, 2015
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6SBQ
 | | The crystal structure of PfA-M1 in complex with 7-amino-4-phenyl-5,7,8,9-tetrahydrobenzocyclohepten-6-one | | Descriptor: | DI(HYDROXYETHYL)ETHER, M1-family alanyl aminopeptidase, MALONATE ION, ... | | Authors: | Salomon, E, Schmitt, M, Mouray, E, McEwen, A.G, Torchy, M, Poussin-Courmontagne, P, Alavi, S, Tarnus, C, Cavarelli, J, Florent, I, Albrecht, S. | | Deposit date: | 2019-07-22 | | Release date: | 2020-03-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Aminobenzosuberone derivatives as PfA-M1 inhibitors: Molecular recognition and antiplasmodial evaluation.
Bioorg.Chem., 98, 2020
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7SP3
 | | E. coli RppH bound to Ap4A | | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | | Authors: | Serganov, A.A, Vasilyev, N, Nuthanakanti, A. | | Deposit date: | 2021-11-02 | | Release date: | 2022-03-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A distinct RNA recognition mechanism governs Np 4 decapping by RppH.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8BYM
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8BYT
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8BYS
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8BZ2
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7YOK
 | | Crystal Structure of Tetra mutant (D67E, A68P, L98I, A301S) tetra mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae at 2.8 A | | Descriptor: | Cysteine synthase | | Authors: | Saini, N, Kumar, N, Rahisuddin, R, Singh, A.K. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Crystal Structure of Tetra mutant (D67E, A68P, L98I, A301S) tetra mutant of O-acetyl-L-serine sulfhydrylase from Haemophilus influenzae at 2.8 A
To Be Published
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7BDV
 | | Structure of Can2 from Sulfobacillus thermosulfidooxidans in complex with cyclic tetra-adenylate (cA4) | | Descriptor: | Can2, Cyclic tetraadenosine monophosphate (cA4) | | Authors: | McQuarrie, S, McMahon, S.A, Gloster, T.M, White, M.F, Graham, S, Zhu, W, Gruschow, S. | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | The CRISPR ancillary effector Can2 is a dual-specificity nuclease potentiating type III CRISPR defence.
Nucleic Acids Res., 49, 2021
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7KHL
 | | BRD4-BD1 Compound6 (methyl 4-(3,5-difluoropyridin-2-yl)-10-methyl-7-((methylsulfonyl)methyl)-11-oxo-3,4,10,11-tetrahydro-1H-1,4,10-triazadibenzo[cd,f]azulene-6-carboxylate) | | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, methyl 7-(3,5-difluoropyridin-2-yl)-2-methyl-10-[(methylsulfonyl)methyl]-3-oxo-3,4,6,7-tetrahydro-2H-2,4,7-triazadibenzo[cd,f]azulene-9-carboxylate | | Authors: | Murray, J.M. | | Deposit date: | 2020-10-21 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.286 Å) | | Cite: | Antibody-Mediated Delivery of Chimeric BRD4 Degraders. Part 2: Improvement of In Vitro Antiproliferation Activity and In Vivo Antitumor Efficacy.
J.Med.Chem., 64, 2021
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6P84
 | | E.coli LpxD in complex with compound 2o | | Descriptor: | 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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2K90
 | | Dimeric solution structure of the DNA loop d(TGCTTCGT) | | Descriptor: | 5'-D(*TP*GP*CP*TP*TP*CP*GP*T)-3' | | Authors: | Viladoms, J, Escaja, N, Frieden, M, Gomez-Pinto, I, Pedroso, E, Gonzalez, C. | | Deposit date: | 2008-09-29 | | Release date: | 2009-04-28 | | Last modified: | 2024-05-08 | | Method: | SOLUTION NMR | | Cite: | Self-association of short DNA loops through minor groove C:G:G:C tetrads.
Nucleic Acids Res., 37, 2009
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