PDB: 1151 resultsInfo pagesStatus searchChemie searchBIRD

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7SU1	Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ... Authors: Lee, P.S, Chau, B, Strop, P. Deposit date: 2021-11-15 Release date: 2022-03-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.53 Å) Cite: Improved therapeutic index of an acidic pH-selective antibody. Mabs, 14, 2022
5OWM	Crystal structure of human BRD4(1) bromodomain in complex with UT48 Descriptor: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol Authors: Zhu, J, Caflisch, A. Deposit date: 2017-09-01 Release date: 2018-10-10 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
7T4S	CryoEM structure of the HCMV Pentamer gH/gL/UL128/UL130/UL131A in complex with NRP2 and neutralizing fabs 8I21 and 13H11 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein H, ... Authors: Kschonsak, M, Johnson, M.C, Schelling, R, Green, E.M, Rouge, L, Ho, H, Patel, N, Kilic, C, Kraft, E, Arthur, C.P, Rohou, A.L, Comps-Agrar, L, Martinez-Martin, N, Perez, L, Payandeh, J, Ciferri, C. Deposit date: 2021-12-10 Release date: 2022-03-23 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: Structural basis for HCMV Pentamer receptor recognition and antibody neutralization. Sci Adv, 8, 2022
5C7G	Crystal Structure of the b1 Domain of Human Neuropilin-1 in complex with a bicine molecule Descriptor: BICINE, Neuropilin-1, SODIUM ION Authors: Didierjean, C, Jelsch, C. Deposit date: 2015-06-24 Release date: 2016-07-06 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Design, synthesis and biological evaluation of new peptidomimetic compounds targeting NRP-1 receptor TO BE PUBLISHED To Be Published
7SU0	Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ... Authors: Lee, P.S, Chau, B, Strop, P. Deposit date: 2021-11-15 Release date: 2022-03-02 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Improved therapeutic index of an acidic pH-selective antibody. Mabs, 14, 2022
7B7G	BAZ2A bromodomain in complex with compounds MS04 and B11 Descriptor: 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine, 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A Authors: Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. Deposit date: 2020-12-10 Release date: 2021-10-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.428 Å) Cite: Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7B82	BAZ2A bromodomain in complex with triazole compound MS04-TN03 Descriptor: (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A Authors: Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. Deposit date: 2020-12-12 Release date: 2021-10-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7B7I	BAZ2A bromodomain in complex with triazole compound MS04-TN02 Descriptor: 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A Authors: Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. Deposit date: 2020-12-10 Release date: 2021-10-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.15 Å) Cite: Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
7B7B	BAZ2A bromodomain in complex with triazole compound MS04 Descriptor: 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A Authors: Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. Deposit date: 2020-12-10 Release date: 2021-10-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
3UIZ	Crystal structure of SefD_dscA in D2O Descriptor: Chimera protein of SefD and SefA Authors: Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J. Deposit date: 2011-11-07 Release date: 2012-05-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide. Biochem.Biophys.Res.Commun., 421, 2012
3UIY	Crystal structure of SefD_dscA in H2O Descriptor: Chimera protein of SefD and SefA Authors: Garnett, J.A, Wei-chao, L, Liu, B, Matthews, S.J. Deposit date: 2011-11-07 Release date: 2012-05-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Promoting crystallisation of the Salmonella enteritidis fimbriae 14 pilin SefD using deuterium oxide. Biochem.Biophys.Res.Commun., 421, 2012
6EQ2	MTH1 in complex with fragment 6 Descriptor: 1~{H}-imidazo[4,5-b]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase Authors: Wiedmer, L, Sledz, P, Caflisch, A. Deposit date: 2017-10-12 Release date: 2018-10-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.802 Å) Cite: Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EQ7	MTH1 in complex with fragment 11 Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine, SULFATE ION Authors: Wiedmer, L, Sledz, P, Caflisch, A. Deposit date: 2017-10-12 Release date: 2018-10-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EQ3	MTH1 in complex with fragment 9 Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol Authors: Wiedmer, L, Sledz, P, Caflisch, A. Deposit date: 2017-10-12 Release date: 2018-10-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.798 Å) Cite: Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EQ5	MTH1 in complex with fragment 4 Descriptor: 1H-benzimidazol-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION Authors: Wiedmer, L, Sledz, P, Caflisch, A. Deposit date: 2017-10-12 Release date: 2018-10-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.801 Å) Cite: Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EQ4	MTH1 in complex with fragment 8 Descriptor: 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION Authors: Wiedmer, L, Sledz, P, Caflisch, A. Deposit date: 2017-10-12 Release date: 2018-10-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
6EQ6	MTH1 in complex with fragment 1 Descriptor: 3-pyrrolidin-1-ylquinoxalin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... Authors: Wiedmer, L, Sledz, P, Caflisch, A. Deposit date: 2017-10-12 Release date: 2018-10-31 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.002 Å) Cite: Ligand retargeting by binding site analogy. Eur.J.Med.Chem., 175, 2019
7O0E	Crystal structure of GH30 (mutant E188A) complexed with aldotriuronic acid from Thermothelomyces thermophila. Descriptor: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, DI(HYDROXYETHYL)ETHER, ... Authors: Dimarogona, M, Kosinas, C, Feiler, C, Weiss, M.S, Topakas, E, Nikolaivits, E. Deposit date: 2021-03-26 Release date: 2021-09-08 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies Carbohydrate Polymers, 273, 2021
7F59	DNQX-bound GluK2-1xNeto2 complex Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... Authors: He, L.L, Gao, Y.W, Li, B, Zhao, Y. Deposit date: 2021-06-21 Release date: 2021-09-29 Last modified: 2021-12-01 Method: ELECTRON MICROSCOPY (4.2 Å) Cite: Kainate receptor modulation by NETO2. Nature, 599, 2021
7F56	DNQX-bound GluK2-1xNeto2 complex, with asymmetric LBD Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... Authors: He, L.L, Gao, Y.W, Li, B, Zhao, Y. Deposit date: 2021-06-21 Release date: 2021-09-29 Last modified: 2021-12-01 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Kainate receptor modulation by NETO2. Nature, 599, 2021
7F57	Kainate-bound GluK2-1xNeto2 complex, at the desensitized state Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... Authors: He, L.L, Gao, Y.W, Li, B, Zhao, Y. Deposit date: 2021-06-21 Release date: 2021-09-29 Last modified: 2021-12-01 Method: ELECTRON MICROSCOPY (3.8 Å) Cite: Kainate receptor modulation by NETO2. Nature, 599, 2021
7F5B	LBD-TMD focused reconstruction of DNQX-bound GluK2-1xNeto2 complex Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... Authors: He, L.L, Gao, Y.W, Li, B, Zhao, Y. Deposit date: 2021-06-21 Release date: 2021-09-29 Last modified: 2021-12-01 Method: ELECTRON MICROSCOPY (3.9 Å) Cite: Kainate receptor modulation by NETO2. Nature, 599, 2021
7F5A	DNQX-bound GluK2-2xNeto2 complex Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... Authors: He, L.L, Gao, Y.W, Li, B, Zhao, Y. Deposit date: 2021-06-21 Release date: 2021-09-29 Last modified: 2021-12-01 Method: ELECTRON MICROSCOPY (6.4 Å) Cite: Kainate receptor modulation by NETO2. Nature, 599, 2021
7BC2	BAZ2A bromodomain in complex with triazole compound MS04-TN04 Descriptor: 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole, Bromodomain adjacent to zinc finger domain protein 2A Authors: Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. Deposit date: 2020-12-18 Release date: 2021-10-20 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2 Å) Cite: Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
6FGI	Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 2 Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(3~{S})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine Authors: Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. Deposit date: 2018-01-10 Release date: 2018-05-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.551 Å) Cite: Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. ChemMedChem, 13, 2018

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