7Z9I
| ATAD2 in complex with PepLite-Ala | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7Z9U
| ATAD2 in complex with Acetyl-Lys | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, 1,2-ETHANEDIOL, ARGININE, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7RV8
| Crystal structure of the BCL6 BTB domain in complex with OICR-10268 | Descriptor: | DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-08-18 | Release date: | 2022-08-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of the BCL6 BTB domain To Be Published
|
|
6XZM
| Arabidopsis UV-B photoreceptor UVR8 mutant D96N D107N W285A | Descriptor: | DI(HYDROXYETHYL)ETHER, NITRATE ION, TRIETHYLENE GLYCOL, ... | Authors: | Lau, K, Hothorn, M. | Deposit date: | 2020-02-04 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.10009313 Å) | Cite: | A constitutively monomeric UVR8 photoreceptor confers enhanced UV-B photomorphogenesis. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7RWY
| |
6PLJ
| A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ... | Authors: | Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R. | Deposit date: | 2019-07-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528) To Be Published
|
|
6FQ4
| Structure of Chlamydial virulence factor TarP and vinculin head domain | Descriptor: | TarP-VBS1, Vinculin | Authors: | Whitewood, A.J, Singh, A.K, Brown, D.G, Goult, B.T. | Deposit date: | 2018-02-13 | Release date: | 2018-05-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Chlamydial virulence factor TarP mimics talin to disrupt the talin-vinculin complex. FEBS Lett., 592, 2018
|
|
6BV8
| Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana complexed with Mn after 3-hour soak with juglone | Descriptor: | 5-hydroxynaphthalene-1,4-dione, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Karasik, A, Wu, N, Fierke, C.A, Koutmos, M. | Deposit date: | 2017-12-12 | Release date: | 2019-06-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of protein-only RNase P with Gambogic acid and Juglone To Be Published
|
|
7B7J
| |
7ZAA
| BRD4 in complex with FragLite11 | Descriptor: | GLYCEROL, Isoform C of Bromodomain-containing protein 4, ~{N}-(4-bromophenyl)ethanamide | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
6BVH
| Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14) | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Riley, B.T, Chen, X. | Deposit date: | 2017-12-13 | Release date: | 2018-12-19 | Last modified: | 2019-01-30 | Method: | X-RAY DIFFRACTION (1.927 Å) | Cite: | Potent, multi-target serine protease inhibition achieved by a simplified beta-sheet motif. PLoS ONE, 14, 2019
|
|
7S68
| Structure of human PARP1 domains (Zn1, Zn3, WGR and HD) bound to a DNA double strand break. | Descriptor: | DNA (5'-D(*GP*CP*CP*TP*GP*CP*AP*GP*GP*C)-3'), Fusion of PARP1 zinc fingers 1 and 3 (Zn1, Zn3), ... | Authors: | Rouleau-Turcotte, E, Pascal, J.M. | Deposit date: | 2021-09-13 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Captured snapshots of PARP1 in the active state reveal the mechanics of PARP1 allostery. Mol.Cell, 82, 2022
|
|
7ZAJ
| BRD4 in complex with FragLite16 | Descriptor: | 4-bromanyl-1,8-naphthyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
6FQI
| GluA2(flop) G724C ligand binding core dimer bound to L-Glutamate (Form B) at 2.91 Angstrom resolution | Descriptor: | GLUTAMIC ACID, Glutamate receptor 2 | Authors: | Coombs, I.D, Soto, D, Gold, M.G, Farrant, M.F, Cull-Candy, S.G. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.91001153 Å) | Cite: | Homomeric GluA2(R) AMPA receptors can conduct when desensitized. Nat Commun, 10, 2019
|
|
7Z9N
| ATAD2 in complex with PepLite-Val | Descriptor: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-21 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7RUH
| Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844 | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | Deposit date: | 2021-08-17 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 2 (BD2) complexed with XR844 To Be Published
|
|
7ALX
| Sav-SOD: Chimeric Streptavidin-cSOD as Host for Artificial Metalloenzymes | Descriptor: | ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold, Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin | Authors: | Igareta, N.V, Christoffel, F, Peterson, R.L, Ward, T.R. | Deposit date: | 2020-10-07 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and evolution of chimeric streptavidin for protein-enabled dual gold catalysis Nat Catal, 4, 2021
|
|
6Y1N
| Crystal structure of the phosphonate-modified A.5 antibody FAB fragment | Descriptor: | 8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL PHENYLPHOSPHONATE, FAB A.5 Heavy chain, FAB A.5 Light Chain | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-12 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7ZAT
| BRD4 in complex with FragLite20 | Descriptor: | 4-bromanyl-2-(methoxymethyl)pyridine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
6PHI
| |
7ZA6
| BRD4 in complex with FragLite4 | Descriptor: | 4-bromanylpyridin-2-amine, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
6FRC
| |
7ZAD
| BRD4 in complex with FragLite12 | Descriptor: | 4-iodanylbenzamide, GLYCEROL, Isoform C of Bromodomain-containing protein 4 | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-03-22 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7RV9
| Crystal structure of the BCL6 BTB domain in complex with OICR-10269 | Descriptor: | DIMETHYL SULFOXIDE, Isoform 2 of B-cell lymphoma 6 protein, N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Authors: | Kuntz, D.A, Prive, G.G. | Deposit date: | 2021-08-18 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of the BCL6 BTB domain To Be Published
|
|
6PHM
| |