PDB: 222624 resultsInfo pagesStatus searchChemie searchBIRD

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9BDU	NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA Descriptor: DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... Authors: Biswas, T, Huang, D, Ghosh, G. Deposit date: 2024-04-12 Release date: 2024-04-24 Last modified: 2024-06-12 Method: X-RAY DIFFRACTION (2.03 Å) Cite: Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA. Proc.Natl.Acad.Sci.USA, 121, 2024
9BD3	Structure of the MAGEA4 MHD-RAD18 R6BD Complex Descriptor: E3 ubiquitin-protein ligase RAD18, Melanoma antigen A 4 Authors: Forker, K, Zhou, P. Deposit date: 2024-04-10 Release date: 2024-06-05 Last modified: 2024-07-03 Method: X-RAY DIFFRACTION (2.58 Å) Cite: Crystal structure of MAGEA4 MHD-RAD18 R6BD reveals a flipped binding mode compared to AlphaFold2 prediction. Embo J., 2024
9BD0	Solution Structure of a Disulfide Insertion Mutant of S. aureus SPIN Descriptor: Myeloperoxidase inhibitor SPIN Authors: Mishra, N.B, Prakash, O, Geisbrecht, B.V. Deposit date: 2024-04-10 Release date: 2024-05-29 Last modified: 2024-07-03 Method: SOLUTION NMR Cite: Staphylococcal peroxidase inhibitor (SPIN): Investigation of the inhibitory N-terminal domain via a stabilizing disulfide insertion. Arch.Biochem.Biophys., 758, 2024
9BCZ	Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine Descriptor: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... Authors: Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) Deposit date: 2024-04-10 Release date: 2024-05-15 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine To be published
9BCB	Crystal structure of human cellular retinol binding protein 3 in complex with C11 TopFluor MG Descriptor: 1-[11-(dipyrrometheneboron difluoride)undecanoyl]-rac-glycerol, GLYCEROL, Retinol-binding protein 5 Authors: Golczak, M. Deposit date: 2024-04-08 Release date: 2024-04-17 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Interactom of cellular retinol binding protein 3. To Be Published
9BC4	Transglutaminase 2 - Intermediate State Descriptor: CALCIUM ION, GLYCEROL, HB-225 (gluten peptidomimetic TG2 inhibitor), ... Authors: Sewa, A.S, Mathews, I.I, Khosla, C. Deposit date: 2024-04-07 Release date: 2024-07-03 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state. Proc.Natl.Acad.Sci.USA, 121, 2024
9BC3	Transglutaminase 2 - Alternate state Descriptor: CALCIUM ION, HB-225 (gluten peptidomimetic TG2 inhibitor), Protein-glutamine gamma-glutamyltransferase 2 Authors: Mathews, I.I, Sewa, A.S, Khosla, C. Deposit date: 2024-04-07 Release date: 2024-07-03 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state. Proc.Natl.Acad.Sci.USA, 121, 2024
9BC2	Transglutaminase 2 - Open State Descriptor: CHLORIDE ION, HB-225 (gluten peptidomimetic TG2 inhibitor), Protein-glutamine gamma-glutamyltransferase 2, ... Authors: Mathews, I.I, Sewa, A, Khosla, C. Deposit date: 2024-04-07 Release date: 2024-07-03 Last modified: 2024-07-17 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structural and mechanistic analysis of Ca 2+ -dependent regulation of transglutaminase 2 activity using a Ca 2+ -bound intermediate state. Proc.Natl.Acad.Sci.USA, 121, 2024
9BBM	PHF filament generated from 4E-Tau(297-407) under neutral Mg2+ condition Descriptor: Isoform Tau-F of Microtubule-associated protein tau Authors: Duan, P, El Mammeri, N. Deposit date: 2024-04-06 Release date: 2024-05-08 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Milligram-scale assembly and NMR fingerprint of tau fibrils adopting the Alzheimer's disease fold. J.Biol.Chem., 300, 2024
9BBL	THF filament generated from 4E-Tau(297-407) under neutral Mg2+ condition Descriptor: Isoform Tau-F of Microtubule-associated protein tau Authors: Duan, P, El Mammeri, N. Deposit date: 2024-04-06 Release date: 2024-05-08 Last modified: 2024-06-05 Method: ELECTRON MICROSCOPY (2.5 Å) Cite: Milligram-scale assembly and NMR fingerprint of tau fibrils adopting the Alzheimer's disease fold. J.Biol.Chem., 300, 2024
9BBI	Co-crystal structure of human DDB1 bound to fragment UB028669 Descriptor: 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... Authors: Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-05 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Co-crystal structure of human DDB1 bound to fragment UB028669 To be published
9BBH	Co-crystal structure of human DDB1 bound to fragment UB028670 Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... Authors: Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-05 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2 Å) Cite: Co-crystal structure of human DDB1 bound to fragment UB028670 To be published
9BBG	Co-crystal structure of human DDB1 bound to fragment UB028671 Descriptor: 1,2-ETHANEDIOL, 1H-indol-6-amine, DNA damage-binding protein 1, ... Authors: Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-05 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Co-crystal structure of human DDB1 bound to fragment UB028671 To be published
9BBE	Co-crystal structure of human DDB1 bound to fragment UB028668 Descriptor: 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... Authors: Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) Deposit date: 2024-04-05 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2 Å) Cite: Co-crystal structure of human DDB1 bound to fragment UB028668 To be published
9BBB	Human CYP3A4 bound to an inhibitor Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, cobicistat Authors: Sevrioukova, I.F. Deposit date: 2024-04-05 Release date: 2024-07-03 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Interaction of CYP3A4 with the inhibitor cobicistat: Structural and mechanistic insights and comparison with ritonavir to be published
9BB7	Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 5 and 39, beta3 residue at position 26 Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BB6	Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 5 and 13, beta3 residue at position 9 Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BB5	Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 22 and 26 Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BB4	Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 23 and 26 Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BB3	Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 22 and 26 Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BB2	Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 20 and 24 Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BB1	Backbone Modification in the GA Module of Protein PAB: Wild-type Sequence Descriptor: Peptostreptococcal albumin-binding protein Authors: Lin, Y, Horne, W.S. Deposit date: 2024-04-05 Release date: 2024-06-05 Method: SOLUTION NMR Cite: Backbone Modification in a Protein Hydrophobic Core. Chemistry, 2024
9BAF	Solution NMR structure of conofurin-Delta Descriptor: Alpha-conotoxin LvIA Authors: Harvey, P.J, Craik, D.J, Hone, A.J, McIntosh, J.M. Deposit date: 2024-04-04 Release date: 2024-07-03 Method: SOLUTION NMR Cite: Design, Synthesis, and Structure-Activity Relationships of Novel Peptide Derivatives of the Severe Acute Respiratory Syndrome-Coronavirus-2 Spike-Protein that Potently Inhibit Nicotinic Acetylcholine Receptors. J.Med.Chem., 67, 2024
9BA5	Cross-linked Contactin 2 Ig1-Ig6 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-2 Authors: Liu, J.L, Fan, S.F, Ren, G.R, Rudenko, G.R. Deposit date: 2024-04-03 Release date: 2024-07-17 Method: ELECTRON MICROSCOPY (3.51 Å) Cite: Molecular mechanism of Contactin 2 homophilic interaction To Be Published
9BA4	Full-length cross-linked Contactin 2 (CNTN2) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-2 Authors: Liu, J.L, Fan, S.F, Ren, G.R, Rudenko, G.R. Deposit date: 2024-04-03 Release date: 2024-07-17 Method: ELECTRON MICROSCOPY (3.54 Å) Cite: Molecular mechanism of Contactin 2 homophilic interaction To Be Published

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