PDB: 243531 resultsInfo pagesStatus searchChemie searchBIRD

---

7M9X	HIV-1 Protease (I84V) in Complex with NR02-79 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-08-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.831 Å) Cite: HIV-1 Protease (I84V) in Complex with NR02-79 To Be Published
5IDM	Bifunctional histidine kinase CckA (domain, CA) in complex with c-di-GMP and AMPPNP/Mg2+ Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Cell cycle histidine kinase CckA, MAGNESIUM ION, ... Authors: Dubey, B.N, Schirmer, T. Deposit date: 2016-02-24 Release date: 2016-10-05 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Cyclic di-GMP mediates a histidine kinase/phosphatase switch by noncovalent domain cross-linking. Sci Adv, 2, 2016
5VYD	Crystal structure of phosphodiesterase domain of RhoPDE fusion protein from the Choanoflagellate Salpingoeca rosetta Descriptor: MAGNESIUM ION, Phosphodiesterase, ZINC ION Authors: Prem Kumar, R, Lamarche, L.B, Oprian, D.D. Deposit date: 2017-05-25 Release date: 2017-10-18 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Purification and Characterization of RhoPDE, a Retinylidene/Phosphodiesterase Fusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta. Biochemistry, 56, 2017
8W2Z	Cas9d 6bp R-loop Seed Complex Descriptor: DNA Non-Target Strand, DNA Target Strand, HNH nuclease domain-containing protein, ... Authors: Fregoso Ocampo, R, Bravo, J.P.K, Taylor, D.W. Deposit date: 2024-02-21 Release date: 2025-01-15 Last modified: 2025-05-28 Method: ELECTRON MICROSCOPY (3.37 Å) Cite: DNA targeting by compact Cas9d and its resurrected ancestor. Nat Commun, 16, 2025
7M9V	HIV-1 Protease (I84V) in Complex with NR01-141 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-08-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.891 Å) Cite: HIV-1 Protease (I84V) in Complex with NR01-141 To Be Published
5IGI	Macrolide 2'-phosphotransferase type I - complex with guanosine and azithromycin Descriptor: AZITHROMYCIN, GUANOSINE, ISOPROPYL ALCOHOL, ... Authors: Berghuis, A.M, Fong, D.H. Deposit date: 2016-02-28 Release date: 2017-04-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
6VTC	p53-specific T cell receptor Descriptor: T-cell Receptor 1a2, p53-specific T cell receptor, B-chain Authors: Wu, D, Gallagher, D.T, Gowthaman, R, Pierce, B.G, Mariuzza, R.A. Deposit date: 2020-02-12 Release date: 2020-06-17 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (1.83 Å) Cite: Structural basis for oligoclonal T cell recognition of a shared p53 cancer neoantigen. Nat Commun, 11, 2020
8VVE	Kappa opioid receptor:Galphai protein in complex with inverse agonist norBNI Descriptor: (4bS,8R,8aS,10aS,11R,14aS,19aR,20bR)-7,12-bis(cyclopropylmethyl)-5,6,7,8,9,10,11,12,13,14,20,20b-dodecahydro-19aH-4,8:11,15-dimethanobis[1]benzofuro[2,3-a:3',2'-i]dipyrido[4,3-b:3',4'-h]carbazole-1,8a,10a,18-tetrol, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... Authors: Gati, C, Motiwala, Z, Tyson, A.S, Styrpejko, D, Han, G.W, Khan, S, Ramos-Gonzalez, N, Shenvi, R, Majumdar, S. Deposit date: 2024-01-31 Release date: 2025-01-15 Last modified: 2025-07-09 Method: ELECTRON MICROSCOPY (3.3 Å) Cite: Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes. Nat.Chem.Biol., 21, 2025
5VYJ	Crystal structure of the photosynthetic phosphoenolpyruvate carboxylase isoenzyme from maize in complex with Gly Descriptor: ACETATE ION, GLYCINE, Phosphoenolpyruvate carboxylase Authors: Gonzalez-Segura, L, Guemez-Toro, R, Munoz-Clares, R.A. Deposit date: 2017-05-25 Release date: 2017-06-28 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Identification of the allosteric site for neutral amino acids in the maize C4isozyme of phosphoenolpyruvate carboxylase: The critical role of Ser-100. J. Biol. Chem., 293, 2018
5IGT	Macrolide 2'-phosphotransferase type I - complex with guanosine and erythromycin Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ERYTHROMYCIN A, GUANOSINE, ... Authors: Berghuis, A.M, Fong, D.H. Deposit date: 2016-02-28 Release date: 2017-04-26 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Structural Basis for Kinase-Mediated Macrolide Antibiotic Resistance. Structure, 25, 2017
8VEZ	De novo design apixaban-binding protein: apx1049 Descriptor: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, De novo design apixaban-binding protein: apx1049 Authors: Bera, A.K, Lee, G.R, Baker, D. Deposit date: 2023-12-20 Release date: 2025-01-15 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Small-molecule binding and sensing with a designed protein family To Be Published
8VLW	TolQ-TolR inner membrane protein complex from Acinetobacter baumannii Descriptor: Tol-Pal system protein TolQ, Tol-Pal system protein TolR Authors: Guo, Y, Borek, D, Center for Structural Biology of Infectious Diseases (CSBID) Deposit date: 2024-01-12 Release date: 2025-01-15 Last modified: 2025-01-22 Method: ELECTRON MICROSCOPY (3.34 Å) Cite: Structural architecture of TolQ-TolR inner membrane protein complex from opportunistic pathogen Acinetobacter baumannii. Biorxiv, 2024
8VO8	Cryo-EM structure of fascin crosslinked F-actin (Eigen_left) Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... Authors: Gong, R, Reynolds, M.J, Alushin, G.M. Deposit date: 2024-01-14 Release date: 2025-01-15 Last modified: 2025-05-28 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Fascin structural plasticity mediates flexible actin bundle construction. Nat.Struct.Mol.Biol., 32, 2025
7M9W	HIV-1 Protease (I84V) in Complex with NR02-73 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-08-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.901 Å) Cite: HIV-1 Protease (I84V) in Complex with NR02-73 To Be Published
7M4B	DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 60 min Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... Authors: Jamsen, J.A, Wilson, S.H. Deposit date: 2021-03-21 Release date: 2022-07-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
8W3C	Crystal Structure of Enterovirus 68 3C Protease with AG7088 at 1.97 Angstroms Descriptor: 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER, Peptidase C3 Authors: Azzolino, V.N, Shaqra, A.M, Schiffer, C.A. Deposit date: 2024-02-22 Release date: 2025-01-15 Last modified: 2025-02-05 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease. Viruses, 17, 2025
5VH1	Crystal Structure of Chicken Gamma S Crystallin Descriptor: Gamma S-crystallin Authors: Sagar, V, Wistow, G. Deposit date: 2017-04-12 Release date: 2017-05-24 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal Structure of Chicken gamma S-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the beta gamma-Crystallins. Structure, 25, 2017
7M9T	HIV-1 Protease WT (NL4-3) in Complex with NR02-73 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-08-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: HIV-1 Protease WT (NL4-3) in Complex with NR02-73 To Be Published
5IDZ	Structure of Human Enolase 2 in complex with (S)-(1-hydroxy-2-oxopiperidin-3-yl)phosphonate Descriptor: Gamma-enolase, MAGNESIUM ION, TRIETHYLENE GLYCOL, ... Authors: Leonard, P.G, Muller, F.L. Deposit date: 2016-02-24 Release date: 2017-02-22 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Pomhex, a cell-permeable Enolase inhibitor for Collateral Lethality targeting of ENO1-deleted Glioblastoma To Be Published
7M9U	HIV-1 Protease WT (NL4-3) in Complex with NR02-79 Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION Authors: Lockbaum, G.J, Schiffer, C.A. Deposit date: 2021-03-31 Release date: 2022-08-31 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.911 Å) Cite: HIV-1 Protease WT (NL4-3) in Complex with NR02-79 To Be Published
6VUZ	Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 Descriptor: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. Deposit date: 2020-02-16 Release date: 2020-06-03 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
8VOE	The DNA 16-mer sequence 5'-GCTGGATTAATCCAGC-3' bound by a DB1992 stacked dimer Descriptor: (2M)-2-[(5P)-5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-1H-benzimidazole-6-carboximidamide, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*TP*AP*AP*TP*CP*CP*AP*GP*C)-3') Authors: Terrell, J.R, Wilson, W.D. Deposit date: 2024-01-15 Release date: 2025-01-22 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Structural Examination of DNA Minor Groove Binding by Diamidine Stacked Dimers To Be Published
6VWP	Crystal structure of E. coli guanosine kinase in complex with ppGpp Descriptor: GUANOSINE, GUANOSINE-5',3'-TETRAPHOSPHATE, Inosine-guanosine kinase, ... Authors: Wang, B, Grant, R.A, Laub, M.T. Deposit date: 2020-02-20 Release date: 2020-10-07 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.45 Å) Cite: ppGpp Coordinates Nucleotide and Amino-Acid Synthesis in E. coli During Starvation. Mol.Cell, 80, 2020
7M47	DNA Polymerase Lambda, TTP:At Mg2+ Product State Ternary Complex, 60 min Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ... Authors: Jamsen, J.A, Wilson, S.H. Deposit date: 2021-03-21 Release date: 2022-07-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.648 Å) Cite: Watching right and wrong nucleotide insertion captures hidden polymerase fidelity checkpoints. Nat Commun, 13, 2022
5IE7	Crystal structure of a lactonase double mutant in complex with substrate b Descriptor: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase Authors: Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T. Deposit date: 2016-02-25 Release date: 2017-01-04 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering Acs Catalysis, 6, 2016

<163164165166167168169170171172173174175176177178>