5U1U
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7ZG2
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![BU of 7zg2 by Molmil](/molmil-images/mine/7zg2) | BRD4 in complex with Acetyl-Lys | Descriptor: | (2S)-2,6-diacetamido-N-methyl-hexanamide, Bromodomain-containing protein 4, GLYCEROL | Authors: | Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. | Deposit date: | 2022-04-01 | Release date: | 2022-11-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.18 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
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6FSW
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![BU of 6fsw by Molmil](/molmil-images/mine/6fsw) | Structure of Archaeoglobus fulgidus SBDS protein at 1.9 Angstrom | Descriptor: | DI(HYDROXYETHYL)ETHER, Ribosome maturation protein SDO1-like protein | Authors: | Mazzorana, M, Foadi, J, Siliqi, D, Sanchez-Puig, N. | Deposit date: | 2018-02-20 | Release date: | 2018-03-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Conformational flexibility of proteins involved in ribosome biogenesis: investigations via Small Angle X-ray Scattering (SAXS) Crystals, 8, 2018
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5U1Y
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6ZR5
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![BU of 6zr5 by Molmil](/molmil-images/mine/6zr5) | Crystal structure of JNK1 in complex with ATF2(19-58) | Descriptor: | Cyclic AMP-dependent transcription factor ATF-2, MAGNESIUM ION, Mitogen-activated protein kinase 8, ... | Authors: | Kirsch, K, Zeke, A, Remenyi, A. | Deposit date: | 2020-07-10 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.699 Å) | Cite: | Co-regulation of the transcription controlling ATF2 phosphoswitch by JNK and p38. Nat Commun, 11, 2020
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7ZV5
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6FTC
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![BU of 6ftc by Molmil](/molmil-images/mine/6ftc) | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with HEPES | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Silvestri, I, Fata, F, MIele, A.E, Boumis, G, Williams, D.L, Angelucci, F. | Deposit date: | 2018-02-21 | Release date: | 2018-06-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fragment-Based Discovery of a Regulatory Site in Thioredoxin Glutathione Reductase Acting as "Doorstop" for NADPH Entry. ACS Chem. Biol., 13, 2018
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5U3G
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![BU of 5u3g by Molmil](/molmil-images/mine/5u3g) | Structure of the Dickeya dadantii ykkC riboswitch bound to guanidinium | Descriptor: | GUANIDINE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Battaglia, R.A, Price, I.R, Ke, A. | Deposit date: | 2016-12-02 | Release date: | 2017-02-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for guanidine sensing by the ykkC family of riboswitches. RNA, 23, 2017
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6ZS2
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![BU of 6zs2 by Molmil](/molmil-images/mine/6zs2) | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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6FWI
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![BU of 6fwi by Molmil](/molmil-images/mine/6fwi) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-mannosamine) | Descriptor: | (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | Deposit date: | 2018-03-06 | Release date: | 2019-09-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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6REL
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![BU of 6rel by Molmil](/molmil-images/mine/6rel) | Crystal structure of Pizza6-SH with CdCl2 nanocrystal | Descriptor: | CADMIUM ION, CHLORIDE ION, Pizza6-SH | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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6IO4
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7ZVJ
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![BU of 7zvj by Molmil](/molmil-images/mine/7zvj) | Homodimeric structure of LARGE1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MANGANESE (II) ION, PHOSPHATE ION, ... | Authors: | Diskin, R, Katz, M. | Deposit date: | 2022-05-16 | Release date: | 2022-11-30 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis for matriglycan synthesis by the LARGE1 dual glycosyltransferase. Plos One, 17, 2022
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6CC7
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![BU of 6cc7 by Molmil](/molmil-images/mine/6cc7) | Structure of Fungal GH62 from Thielavia terretris | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Glycoside hydrolase family 62 protein, ... | Authors: | Camargo, S, Mulinari, E.J, Almeida, L.R, Muniz, J.R.C. | Deposit date: | 2018-02-06 | Release date: | 2019-02-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of Fungal GH62 from Thielavia terretris To Be Published
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7MOT
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![BU of 7mot by Molmil](/molmil-images/mine/7mot) | Structure of HDAC2 in complex with an inhibitor (compound 9) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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6FU4
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![BU of 6fu4 by Molmil](/molmil-images/mine/6fu4) | Ligand binding domain (LBD) of the p. aeruginosa histamine receptor TlpQ | Descriptor: | ACETATE ION, GLYCEROL, HISTAMINE, ... | Authors: | Gavira, J.A, Krell, T, Conejero-Muriel, M, Corral-Lugo, A, Matilla, M.A, Silva Jimenez, H, Mesa Torres, N, Martin-Mora, D. | Deposit date: | 2018-02-26 | Release date: | 2018-05-16 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa. MBio, 9, 2018
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7QZO
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![BU of 7qzo by Molmil](/molmil-images/mine/7qzo) | Crystal structure of GacS D1 domain | Descriptor: | CADMIUM ION, GLYCEROL, Histidine kinase | Authors: | Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F. | Deposit date: | 2022-01-31 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS. Structure, 30, 2022
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8R7A
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7MOS
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![BU of 7mos by Molmil](/molmil-images/mine/7mos) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | Descriptor: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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5U6B
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![BU of 5u6b by Molmil](/molmil-images/mine/5u6b) | Structure of the Axl kinase domain in complex with a macrocyclic inhibitor | Descriptor: | (10R)-7-amino-11-chloro-12-fluoro-1-(2-hydroxyethyl)-3,10,16-trimethyl-16,17-dihydro-1H-8,4-(azeno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, Tyrosine-protein kinase receptor UFO | Authors: | Gajiwala, K.S, Grodsky, N. | Deposit date: | 2016-12-07 | Release date: | 2017-07-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | The Axl kinase domain in complex with a macrocyclic inhibitor offers first structural insights into an active TAM receptor kinase. J. Biol. Chem., 292, 2017
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6ZUK
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![BU of 6zuk by Molmil](/molmil-images/mine/6zuk) | Crystal structure of dimethylated RSL-N23H/G68H (RSL-B6) in complex with cucurbit[7]uril and zinc | Descriptor: | Fucose-binding lectin protein, GLYCEROL, SODIUM ION, ... | Authors: | Guagnini, F, Engilberge, S, Flood, R.J, Ramberg, K.O, Crowley, P.B. | Deposit date: | 2020-07-23 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Metal-Mediated Protein-Cucurbituril Crystalline Architectures Cryst.Growth Des., 2020
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6R36
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![BU of 6r36 by Molmil](/molmil-images/mine/6r36) | T. brucei farnesyl pyrophosphate synthase (FPPS) | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Fragment-Based Discovery of Non-bisphosphonate Binders of Trypanosoma brucei Farnesyl Pyrophosphate Synthase. Chembiochem, 21, 2020
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6CCD
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5HZ4
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5HMZ
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![BU of 5hmz by Molmil](/molmil-images/mine/5hmz) | Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23 | Descriptor: | 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide, RNA-directed RNA polymerase NS5, ZINC ION | Authors: | Noble, C.G. | Deposit date: | 2016-01-17 | Release date: | 2016-03-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of Potent Non-Nucleoside Inhibitors of Dengue Viral RNA-Dependent RNA Polymerase from a Fragment Hit Using Structure-Based Drug Design J.Med.Chem., 59, 2016
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