5J95
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![BU of 5j95 by Molmil](/molmil-images/mine/5j95) | MAP4K4 in complex with inhibitor | Descriptor: | 1-{4-[6-amino-5-(4-chlorophenyl)pyridin-3-yl]phenyl}cyclopentane-1-carboxylic acid, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2016-04-08 | Release date: | 2017-04-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | MAP4K4 in complex with inhibitor To Be Published
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5J98
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![BU of 5j98 by Molmil](/molmil-images/mine/5j98) | Crystal structure of Slow Bee Paralysis Virus at 2.6A resolution | Descriptor: | VP1, VP2, VP3 | Authors: | Kalynych, S, Levdansky, Y, Palkova, L, Plevka, P. | Deposit date: | 2016-04-08 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Virion Structure of Iflavirus Slow Bee Paralysis Virus at 2.6-Angstrom Resolution. J.Virol., 90, 2016
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8GL9
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![BU of 8gl9 by Molmil](/molmil-images/mine/8gl9) | Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE | Descriptor: | CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen | Authors: | Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J. | Deposit date: | 2023-03-21 | Release date: | 2023-07-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Small molecule targeting of transcription-replication conflict for selective chemotherapy. Cell Chem Biol, 30, 2023
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5J9G
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![BU of 5j9g by Molmil](/molmil-images/mine/5j9g) | |
8GU1
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![BU of 8gu1 by Molmil](/molmil-images/mine/8gu1) | |
7WIM
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![BU of 7wim by Molmil](/molmil-images/mine/7wim) | |
8GLA
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5J4V
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![BU of 5j4v by Molmil](/molmil-images/mine/5j4v) | The crystal structure of Inhibitor Bound to JCV Helicase | Descriptor: | 2-(2-phenoxypyridin-3-yl)[1,3]thiazolo[5,4-c]pyridine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-04-01 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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5J3Z
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![BU of 5j3z by Molmil](/molmil-images/mine/5j3z) | Crystal structure of m2hTDP2-CAT in complex with a small molecule inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2,4-dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]-2,3,4,10-tetrahydropyrimido[4,5-b]quinoline-8-carbonitrile, ACETATE ION, ... | Authors: | Hornyak, P, Pearl, L.H, Caldecott, K.W, Oliver, A.W. | Deposit date: | 2016-03-31 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mode of action of DNA-competitive small molecule inhibitors of tyrosyl DNA phosphodiesterase 2. Biochem.J., 473, 2016
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5JLC
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![BU of 5jlc by Molmil](/molmil-images/mine/5jlc) | Structure of CYP51 from the pathogen Candida glabrata | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2016-04-26 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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8GZL
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7W42
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![BU of 7w42 by Molmil](/molmil-images/mine/7w42) | Crystal structure of Bacillus subtilis YjoB | Descriptor: | Uncharacterized ATPase YjoB | Authors: | Dahal, P, Kwon, E, Kim, D.Y. | Deposit date: | 2021-11-26 | Release date: | 2022-10-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Crystal structure and biochemical analysis suggest that YjoB ATPase is a putative substrate-specific molecular chaperone. Proc.Natl.Acad.Sci.USA, 119, 2022
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7W07
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![BU of 7w07 by Molmil](/molmil-images/mine/7w07) | Itaconate inducible LysR-Type Transcriptional regulator (ITCR) in complex with itaconate, Space group C121. | Descriptor: | 2-methylidenebutanedioic acid, SULFATE ION, Transcriptional regulator, ... | Authors: | Sun, P.K, Wang, B, Li, X.J. | Deposit date: | 2021-11-17 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | A genetically encoded fluorescent biosensor for detecting itaconate with subcellular resolution in living macrophages. Nat Commun, 13, 2022
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7WF9
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7W5E
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![BU of 7w5e by Molmil](/molmil-images/mine/7w5e) | Oxidase ChaP D49L mutant | Descriptor: | ChaP, FE (III) ION | Authors: | Wang, Y, Zheng, W, Meng, Z, Jin, Y, Zhu, J, Tan, R. | Deposit date: | 2021-11-30 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Alteration of the Catalytic Reaction Trajectory of a Vicinal Oxygen Chelate Enzyme by Directed Evolution. Angew.Chem.Int.Ed.Engl., 61, 2022
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7W61
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![BU of 7w61 by Molmil](/molmil-images/mine/7w61) | Crystal structure of farnesol dehydrogenase from Helicoverpa armigera | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Farnesol dehydrogenase, ... | Authors: | Kumar, R, Das, J, Mahto, J.K, Sharma, M, Kumar, P, Sharma, A.K. | Deposit date: | 2021-12-01 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure and molecular characterization of NADP + -farnesol dehydrogenase from cotton bollworm, Helicoverpaarmigera. Insect Biochem.Mol.Biol., 147, 2022
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5JBD
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![BU of 5jbd by Molmil](/molmil-images/mine/5jbd) | 4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Pijning, T, Dijkstra, B.W, Bai, Y, Gangoiti-Munecas, J, Dijkhuizen, L. | Deposit date: | 2016-04-13 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of 4,6-alpha-Glucanotransferase Supports Diet-Driven Evolution of GH70 Enzymes from alpha-Amylases in Oral Bacteria. Structure, 25, 2017
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8GYD
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![BU of 8gyd by Molmil](/molmil-images/mine/8gyd) | Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 | Descriptor: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme | Authors: | Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X. | Deposit date: | 2022-09-22 | Release date: | 2023-08-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library. J.Med.Chem., 66, 2023
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5J5B
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![BU of 5j5b by Molmil](/molmil-images/mine/5j5b) | Structure of the WT E coli ribosome bound to tetracycline | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, ... | Authors: | Cocozaki, A, Ferguson, A. | Deposit date: | 2016-04-01 | Release date: | 2016-07-27 | Last modified: | 2018-08-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Resistance mutations generate divergent antibiotic susceptibility profiles against translation inhibitors. Proc.Natl.Acad.Sci.USA, 113, 2016
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7WF8
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![BU of 7wf8 by Molmil](/molmil-images/mine/7wf8) | Crystal structure of mouse SNX25 RGS domain in space group P212121 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Zhang, Y, Xu, J, Liu, J. | Deposit date: | 2021-12-26 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins. J.Mol.Biol., 434, 2022
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5JEE
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![BU of 5jee by Molmil](/molmil-images/mine/5jee) | Apo-structure of humanised RadA-mutant humRadA26F | Descriptor: | CALCIUM ION, DNA repair and recombination protein RadA | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-04-18 | Release date: | 2016-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51. J.Mol.Biol., 428, 2016
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8GK8
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![BU of 8gk8 by Molmil](/molmil-images/mine/8gk8) | R21A Staphylococcus aureus pyruvate carboxylase | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, ACETYL COENZYME *A, COENZYME A, ... | Authors: | Laseke, A.J, St.Maurice, M. | Deposit date: | 2023-03-17 | Release date: | 2023-08-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Allosteric Site at the Biotin Carboxylase Dimer Interface Mediates Activation and Inhibition in Staphylococcus aureus Pyruvate Carboxylase. Biochemistry, 62, 2023
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7WF6
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![BU of 7wf6 by Molmil](/molmil-images/mine/7wf6) | Crystal structure of SNX13 RGS domain | Descriptor: | CHLORIDE ION, Sorting nexin-13 | Authors: | Xu, J, Zhu, J, Liu, J. | Deposit date: | 2021-12-26 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural Studies Reveal Unique Non-canonical Regulators of G Protein Signaling Homology (RH) Domains in Sorting Nexins. J.Mol.Biol., 434, 2022
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5JFG
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![BU of 5jfg by Molmil](/molmil-images/mine/5jfg) | Structure of humanised RadA-mutant humRadA22F in complex with peptide FHTA | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, DNA repair and recombination protein RadA, ... | Authors: | Fischer, G, Marsh, M, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Humanisation of RadA from Pyrococcus furiosus To Be Published
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8G9Q
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![BU of 8g9q by Molmil](/molmil-images/mine/8g9q) | Tricomplex of Compound-1, KRAS G12C, and CypA | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-02-21 | Release date: | 2023-08-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Chemical remodeling of a cellular chaperone to target the active state of mutant KRAS. Science, 381, 2023
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