2L6T
 
 | | Efficacy of an HIV-1 entry inhibitor targeting the GP41 fusion peptide | | Descriptor: | VIR-576 | | Authors: | Forssmann, W, The, Y, Stoll, M, Adermann, K, Albrecht, U, Barlos, K, Busmann, A, Can les-Mayordomo, A, Gimenez-Gallego, G, Hirsch, J, Jimenez-Barbero, J, Meyer-Olson, D, Muench, J, Perez-Castells, J, Staendker, L, Kirchhoff, F, Schmidt, R.E. | | Deposit date: | 2010-11-24 | | Release date: | 2011-01-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Short-term monotherapy in HIV-infected patients with a virus entry inhibitor against the gp41 fusion peptide.
Sci Transl Med, 2, 2010
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7U2U
 | | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID | | Descriptor: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION | | Authors: | Khan, J.A, lewis, H, Kish, K. | | Deposit date: | 2022-02-24 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.839 Å) | | Cite: | Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors.
Bioorg.Med.Chem., 67, 2022
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2LI7
 | | Solution Structure of CssII | | Descriptor: | Beta-mammal toxin Css2 | | Authors: | del Rio-Portilla, F, Saucedo, A.L, Corzo, G, Delepierre, M, Possani, L.D. | | Deposit date: | 2011-08-24 | | Release date: | 2012-02-15 | | Method: | SOLUTION NMR | | Cite: | Solution structure of native and recombinant expressed toxin CssII from the venom of the scorpion Centruroides suffusus suffusus, and their effects on Nav1.5 Sodium channels.
Biochim.Biophys.Acta, 1824, 2012
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5JFE
 | | Flavin-dependent thymidylate synthase with H2-dUMP | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-uridylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Sapra, A, Stuckey, J, Palfey, B. | | Deposit date: | 2016-04-19 | | Release date: | 2017-04-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Evaluating H2-dUMP as an Intermediate in the oxidation of Flavin-dependent Thymidylate Synthase
To Be Published
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5JK7
 | | The X-ray structure of the DDB1-DCAF1-Vpr-UNG2 complex | | Descriptor: | DNA damage-binding protein 1, Protein VPRBP, Protein Vpr, ... | | Authors: | Calero, G, Ahn, J, Wu, Y. | | Deposit date: | 2016-04-26 | | Release date: | 2016-10-05 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | The DDB1-DCAF1-Vpr-UNG2 crystal structure reveals how HIV-1 Vpr steers human UNG2 toward destruction.
Nat.Struct.Mol.Biol., 23, 2016
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6DRI
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6DB7
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5IVJ
 | | Linked KDM5A Jmj Domain Bound to the Inhibitor N11 [3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid] | | Descriptor: | 3-({1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-fluoro-1H-indazol-3-yl}amino)pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Horton, J.R, Cheng, X. | | Deposit date: | 2016-03-21 | | Release date: | 2016-07-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.569 Å) | | Cite: | Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
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7CDX
 | | Complex STRUCTURE OF A NOVEL VIRULENCE REGULATION FACTOR SghR with its effector sucrose | | Descriptor: | LacI-type transcription factor, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | | Authors: | Ye, F.Z, Wang, C, Yan, X.F, Zhang, L.H, Gao, Y.G. | | Deposit date: | 2020-06-20 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | Structural basis of a novel repressor, SghR, controllingAgrobacteriuminfection by cross-talking to plants.
J.Biol.Chem., 295, 2020
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7TTI
 | | Human KCC1 bound with VU0463271 In an outward-open state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide, Solute carrier family 12 member 4 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2022-02-01 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5IX9
 | | Cell surface anchoring domain | | Descriptor: | Antifreeze protein | | Authors: | Guo, S, Langelaan, D. | | Deposit date: | 2016-03-23 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structure of a 1.5-MDa adhesin that binds its Antarctic bacterium to diatoms and ice.
Sci Adv, 3, 2017
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7CD8
 | | GFP-40/GFPuv complex, Form II | | Descriptor: | GFP-40, Green fluorescent protein | | Authors: | Yasui, N, Yamashita, A. | | Deposit date: | 2020-06-18 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A sweet protein monellin as a non-antibody scaffold for synthetic binding proteins.
J.Biochem., 169, 2021
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7CLJ
 | | Crystal structure of Thermoplasmatales archaeon heliorhodopsin E108D mutant | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, RETINAL, SULFATE ION, ... | | Authors: | Tanaka, T, Shihoya, W, Yamashita, K, Nureki, O. | | Deposit date: | 2020-07-21 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for unique color tuning mechanism in heliorhodopsin.
Biochem.Biophys.Res.Commun., 533, 2020
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7TUH
 | | Crystal structure of anti-tapasin PaSta2-Fab | | Descriptor: | PaSta2 Fab heavy chain, PaSta2 Fab kappa light chain | | Authors: | Jiang, J, Natarajan, K, Taylor, D.K, Boyd, L.F, Margulies, D.H. | | Deposit date: | 2022-02-02 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural mechanism of tapasin-mediated MHC-I peptide loading in antigen presentation.
Nat Commun, 13, 2022
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6DEN
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7CT5
 | | S protein of SARS-CoV-2 in complex bound with T-ACE2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | Authors: | Guo, L, Bi, W.W, Zhang, Y.Y, Yan, R.H, Li, Y.N, Zhou, Q, Dang, B.B. | | Deposit date: | 2020-08-18 | | Release date: | 2020-11-18 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Engineered trimeric ACE2 binds viral spike protein and locks it in "Three-up" conformation to potently inhibit SARS-CoV-2 infection.
Cell Res., 31, 2021
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5IH4
 | | Human Casein Kinase 1 isoform delta apo (kinase domain) | | Descriptor: | Casein kinase I isoform delta, S,R MESO-TARTARIC ACID, SULFATE ION, ... | | Authors: | Ursu, A, Illich, D.J, Takemoto, Y, Porfetye, A.T, Zhang, M, Brockmeyer, A, Janning, P, Watanabe, N, Osada, H, Vetter, I.R, Ziegler, S, Schoeler, H.R, Waldmann, H. | | Deposit date: | 2016-02-29 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1.
Cell Chem Biol, 23, 2016
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7TTH
 | | Human potassium-chloride cotransporter 1 in inward-open state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, POTASSIUM ION, Solute carrier family 12 member 4 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2022-02-01 | | Release date: | 2022-06-29 | | Last modified: | 2022-07-13 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structure of the human cation-chloride cotransport KCC1 in an outward-open state.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5IG5
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5IGR
 | | Macrolide 2'-phosphotransferase type I - complex with GDP and oleandomycin | | Descriptor: | (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE, AMMONIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Berghuis, A.M, Fong, D.H. | | Deposit date: | 2016-02-28 | | Release date: | 2017-04-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance.
Structure, 25, 2017
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6DJH
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ515 | | Descriptor: | 1,2-ETHANEDIOL, 8-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | Deposit date: | 2018-05-25 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6DME
 | | ppGpp Riboswitch bound to ppGpp, thallium acetate structure | | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, MAGNESIUM ION, THALLIUM (I) ION, ... | | Authors: | Peselis, A, Serganov, A. | | Deposit date: | 2018-06-05 | | Release date: | 2018-11-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands.
Nat. Chem. Biol., 14, 2018
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6DC0
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2OJT
 | | Structure and mechanism of kainate receptor modulation by anions | | Descriptor: | (S)-1-(2-AMINO-2-CARBOXYETHYL)-3(2-CARBOXYTHIOPHENE-3-YL-METHYL)-5-METHYLPYRIMIDINE-2,4-DIONE, BROMIDE ION, Glutamate receptor, ... | | Authors: | Mayer, M.L. | | Deposit date: | 2007-01-14 | | Release date: | 2007-04-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and mechanism of kainate receptor modulation by anions.
Neuron, 53, 2007
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6DEL
 | | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide chlorimuron ethyl | | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, (3Z)-4-{[(4-amino-2-methylpyrimidin-5-yl)methyl](formyl)amino}-3-sulfanylpent-3-en-1-yl trihydrogen diphosphate, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, ... | | Authors: | Garcia, M.D, Guddat, L.W. | | Deposit date: | 2018-05-12 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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