PDB: 45853 resultsInfo pagesStatus searchChemie searchBIRD

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8FQJ	LSD1-CoREST in complex with T14, short soaking Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate Authors: Caroli, J, Mattevi, A. Deposit date: 2023-01-06 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 To be published
6O6X	Crystal structure of Csm6 W14A/E337A mutant in complex with cA4 by cocrystallization Descriptor: Csm6, Cyclic RNA cA4 Authors: Jia, N, Patel, D.J. Deposit date: 2019-03-07 Release date: 2019-07-31 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.11 Å) Cite: CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity. Mol.Cell, 75, 2019
8FJ6	LSD1-CoREST in complex with T108, long soaking Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate Authors: Caroli, J, Mattevi, A. Deposit date: 2022-12-19 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8FDV	LSD1-CoREST in complex N-formyl FAD and SNAG peptide Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... Authors: Caroli, J, Mattevi, A. Deposit date: 2022-12-05 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8FJ4	LSD1-CoREST in complex with T108, short soaking Descriptor: 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide, Lysine-specific histone demethylase 1A, REST corepressor 1, ... Authors: Caroli, J, Mattevi, A. Deposit date: 2022-12-19 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
6O8N	Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. Descriptor: SULFATE ION, Transcriptional regulator, ArsR family Authors: Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. Deposit date: 2019-03-11 Release date: 2020-04-01 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural basis for persulfide-sensing specificity in a transcriptional regulator. Nat.Chem.Biol., 17, 2021
8FJ7	LSD1-CoREST in complex with T108 and SNAG peptide Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... Authors: Caroli, J, Mattevi, A. Deposit date: 2022-12-19 Release date: 2024-06-26 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8FRQ	LSD1-CoREST in complex with T14, long soaking Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) Authors: Caroli, J, Mattevi, A. Deposit date: 2023-01-08 Release date: 2024-08-07 Method: X-RAY DIFFRACTION (2.89 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
6MUL	Murine PI3K delta kinsae domain - cpd 1 Descriptor: 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Authors: Fischmann, T.O. Deposit date: 2018-10-23 Release date: 2019-05-01 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (3.09 Å) Cite: Structure Overhaul Affords a Potent Purine PI3K delta Inhibitor with Improved Tolerability. J.Med.Chem., 62, 2019
7RPM	Structures of the Intracellular Domain and Transmembrane Domain of the Human alpha7 Nicotinic Acetylcholine Receptors Descriptor: Neuronal acetylcholine receptor subunit alpha-7 Authors: Bondarenko, V, Chen, Q, Tang, P. Deposit date: 2021-08-03 Release date: 2022-01-19 Last modified: 2024-05-15 Method: SOLUTION NMR Cite: Structures of highly flexible intracellular domain of human alpha 7 nicotinic acetylcholine receptor. Nat Commun, 13, 2022
8T8I	Structure of VHH-Fab complex with engineered Elbow FNQIKG, Crystal Kappa and SER substitutions Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Fab heavy chain, ... Authors: Filippova, E.V, Thompson, I, Kossiakoff, A.A. Deposit date: 2023-06-22 Release date: 2023-11-29 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.52 Å) Cite: Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes. Protein Sci., 33, 2024
8GME	Crystal structure of the gp32-Dda-dT17 complex Descriptor: Dda helicase, ZINC ION, dT17, ... Authors: He, X, Yun, M.K, White, S.W. Deposit date: 2023-03-24 Release date: 2023-06-28 Last modified: 2024-10-02 Method: X-RAY DIFFRACTION (4.98 Å) Cite: Crystal structure of the gp32-Dda-dT17 complex To Be Published
6OT1	Cryo-EM structure of vaccine-elicited antibody 0PV-b.01 in complex with HIV-1 Env BG505 DS-SOSIP and antibodies VRC03 and PGT122 Descriptor: 0PV-b.01 heavy, 0PV-b.01 light, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Gorman, J, Kwong, P.D. Deposit date: 2019-05-02 Release date: 2019-08-07 Last modified: 2020-07-29 Method: ELECTRON MICROSCOPY (3.5 Å) Cite: Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization. Cell, 178, 2019
6XB8	Adeno-Associated Virus Origin Binding Domain in complex with ssDNA Descriptor: DNA (5'-D(*GP*CP*TP*CP*TP*T)-3'), Protein Rep68, ZINC ION Authors: Escalante, C.R, Musayev, F.N. Deposit date: 2020-06-05 Release date: 2020-12-09 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.3 Å) Cite: The Cryo-EM structure of AAV2 Rep68 in complex with ssDNA reveals a malleable AAA+ machine that can switch between oligomeric states. Nucleic Acids Res., 48, 2020
8GPU	YFV_E_YD6Fab_prefusion Descriptor: Envelope protein, YD6Fab_H, YD6Fab_L Authors: Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. Deposit date: 2022-08-27 Release date: 2022-11-02 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.79 Å) Cite: A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus. Innovation (N Y), 3, 2022
6YQ2	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129 Descriptor: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45 Authors: Wolter, M, Ottmann, C. Deposit date: 2020-04-16 Release date: 2020-09-23 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
8TDT	Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) Descriptor: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-07-04 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3.007 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
6PSL	Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue Descriptor: CHLORIDE ION, teixobactin analogue Authors: Nowick, J.S, Yang, H, Pishenko, A, Li, X. Deposit date: 2019-07-12 Release date: 2019-11-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin. J.Org.Chem., 85, 2020
8T7B	Sequence specific (AATT) orientation of netropsin molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-20 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TAQ	Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x6) Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*AP*TP*TP*A*(HT1))-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*T)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-27 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.951 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TBD	Sequence specific (AATT) orientation of Hoechst molecules at a unique minor groove binding site (position2) within a self-assembled 3D DNA lattice (4x5) Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-28 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TC2	Sequence specific (AATT) orientation of netropsin molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*G)-3'), DNA (5'-D(P*AP*GP*GP*TP*CP*TP*GP*C)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-29 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (3.05 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8T80	Sequence specific (AATT) orientation of Hoechst molecules at two unique minor groove binding sites within a self-assembled 3D DNA lattice (4x5) Descriptor: 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*AP*CP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*TP*GP*T)-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-21 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
8TA9	Sequence specific (AATT) orientation of DAPI molecules at a unique minor groove binding site (position1) within a self-assembled 3D DNA lattice (4x6) Descriptor: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, COBALT (II) ION, DNA (5'-D(*GP*AP*GP*AP*AP*TP*TP*CP*CP*TP*GP*AP*CP*GP*GP*AP*AP*CP*TP*CP*A*(DAP))-3'), ... Authors: Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. Deposit date: 2023-06-27 Release date: 2023-12-20 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Site-Specific Arrangement and Structure Determination of Minor Groove Binding Molecules in Self-Assembled Three-Dimensional DNA Crystals. J.Am.Chem.Soc., 145, 2023
7QZJ	1.55 A X-ray crystallographic structure of SapH from Streptomyces sp. (HPH0547) involved in Pseudouridimycin biosynthesis Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, GLYCEROL, ... Authors: Schnell, R, Schneider, G. Deposit date: 2022-01-31 Release date: 2023-02-15 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Pseudouridine-Modifying Enzymes SapB and SapH Control Entry into the Pseudouridimycin Biosynthetic Pathway. Acs Chem.Biol., 18, 2023

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