6XNG
| MHC-like protein complex structure | Descriptor: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | Deposit date: | 2020-07-02 | Release date: | 2021-11-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Host immunomodulatory lipids created by symbionts from dietary amino acids. Nature, 600, 2021
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8WQT
| Cryo-EM Structure of Mouse TLR4/MD-2/DLAM1 complex | Descriptor: | (3R)-3-(dodecanoyloxy)tetradecanoic acid, (3R)-3-(tetradecanoyloxy)tetradecanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fu, Y, Kim, H, Kim, H.M. | Deposit date: | 2023-10-12 | Release date: | 2024-10-16 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insight on tailored modulation of TLR4-mediated pro-inflammatory response
by disaccharide Lipid A mimetics To Be Published
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6T7P
| human plasmakallikrein protease domain in complex with active site directed inhibitor | Descriptor: | (2~{S},4~{R})-1-[[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-6-yl]carbonyl]-~{N}-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, DIMETHYL SULFOXIDE, GLUTATHIONE, ... | Authors: | Renatus, M. | Deposit date: | 2019-10-22 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS5
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-20 | Release date: | 2020-07-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS6
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-20 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS4
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, Coagulation factor XI, DIMETHYL SULFOXIDE, ... | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-19 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6TS7
| Coagulation factor XI protease domain in complex with active site inhibitor | Descriptor: | 2-[2-[[3-(1,2,3,4-tetrahydroisoquinolin-7-yl)phenyl]methoxy]phenyl]ethanoic acid, Coagulation factor XI | Authors: | Renatus, M, Schiering, N. | Deposit date: | 2019-12-20 | Release date: | 2020-07-08 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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6USY
| COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | Descriptor: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | Authors: | Weihofen, W.A, Clark, K, Nunes, S. | Deposit date: | 2019-10-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach. J.Med.Chem., 63, 2020
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1LCP
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6PLN
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6PWW
| Cryo-EM structure of MLL1 in complex with RbBP5 and WDR5 bound to the nucleosome | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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1A77
| FLAP ENDONUCLEASE-1 FROM METHANOCOCCUS JANNASCHII | Descriptor: | FLAP ENDONUCLEASE-1 PROTEIN, MAGNESIUM ION | Authors: | Hwang, K.Y, Baek, K, Kim, H, Cho, Y. | Deposit date: | 1998-03-20 | Release date: | 1999-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of flap endonuclease-1 from Methanococcus jannaschii. Nat.Struct.Biol., 5, 1998
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1A76
| FLAP ENDONUCLEASE-1 FROM METHANOCOCCUS JANNASCHII | Descriptor: | FLAP ENDONUCLEASE-1 PROTEIN, MANGANESE (II) ION | Authors: | Hwang, K.Y, Baek, K, Kim, H, Cho, Y. | Deposit date: | 1998-03-20 | Release date: | 1999-08-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of flap endonuclease-1 from Methanococcus jannaschii. Nat.Struct.Biol., 5, 1998
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7LAW
| crystal structure of GITR complex with GITR-L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor ligand superfamily member 18, Tumor necrosis factor receptor superfamily member 18 | Authors: | Longenecker, K.L, Rogers, B, Bigelow, L, Judge, R.A, Alvarez, H. | Deposit date: | 2021-01-07 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.752 Å) | Cite: | An anti-PD-1-GITR-L bispecific agonist induces GITR clustering-mediated T cell activation for cancer immunotherapy. Nat Cancer, 3, 2022
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7CM0
| Crystal structure of a glutaminyl cyclase in complex with NHV-1009 | Descriptor: | 1-(cyclopentylmethyl)-1-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-3-[3-(5-methylimidazol-1-yl)propyl]urea, Glutaminyl-peptide cyclotransferase, ZINC ION | Authors: | Lee, J.W, Song, J.Y, Jang, T.H, Ha, J.H. | Deposit date: | 2020-07-23 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of highly potent human glutaminyl cyclase (QC) inhibitors as anti-Alzheimer's agents by the combination of pharmacophore-based and structure-based design. Eur.J.Med.Chem., 226, 2021
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3KPE
| Solution structure of the respiratory syncytial virus (RSV)six-helix bundle complexed with TMC353121, a small-moleucule inhibitor of RSV | Descriptor: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL | Authors: | Roymans, D, De Bondt, H, Arnoult, E, Cummings, M.D, Van Vlijmen, H, Andries, K. | Deposit date: | 2009-11-16 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Binding of a potent small-molecule inhibitor of six-helix bundle formation requires interactions with both heptad-repeats of the RSV fusion protein. Proc.Natl.Acad.Sci.USA, 107, 2010
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6XDM
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7M72
| MHC-like protein complex structure | Descriptor: | (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxy-15-methylhexadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | Authors: | Thirunavukkarasu, P, Le Nours, J, Rossjohn, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-10 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Host immunomodulatory lipids created by symbionts from dietary amino acids. Nature, 600, 2021
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4EN1
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6XJF
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4FJO
| Structure of the Rev1 CTD-Rev3/7-Pol kappa RIR complex | Descriptor: | DNA polymerase kappa, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... | Authors: | Wojtaszek, J, Lee, C.-J, Zhou, P. | Deposit date: | 2012-06-11 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.718 Å) | Cite: | Structural basis of Rev1-mediated assembly of a quaternary vertebrate translesion polymerase complex consisting of Rev1, heterodimeric Pol zeta and Pol kappa J.Biol.Chem., 287, 2012
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4QBQ
| Crystal structure of DNMT3a ADD domain bound to H3 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone H3, ZINC ION | Authors: | Li, H, Patel, D.J. | Deposit date: | 2014-05-08 | Release date: | 2015-05-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Engineering of a histone-recognition domain in a de novo DNA methyltransferase alters the epigenetic landscape of ESCs To be Published
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4QBS
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5VCH
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5VKT
| Cinnamyl alcohol dehydrogenases (SbCAD4) from Sorghum bicolor (L.) Moench | Descriptor: | ACETATE ION, Cinnamyl alcohol dehydrogenases (SbCAD4), D-MALATE, ... | Authors: | Walker, A.M, Jun, S.Y, Kang, C. | Deposit date: | 2017-04-22 | Release date: | 2017-08-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.827 Å) | Cite: | The Enzyme Activity and Substrate Specificity of Two Major Cinnamyl Alcohol Dehydrogenases in Sorghum (Sorghum bicolor), SbCAD2 and SbCAD4. Plant Physiol., 174, 2017
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