7Y1W
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![BU of 7y1w by Molmil](/molmil-images/mine/7y1w) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
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7Y28
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![BU of 7y28 by Molmil](/molmil-images/mine/7y28) | Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1 | Descriptor: | 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one, ADENOSINE-5'-TRIPHOSPHATE, Bifunctional glutamate/proline--tRNA ligase, ... | Authors: | Kim, S, Yoon, I, Son, J, Park, S, Hwang, K.Y. | Deposit date: | 2022-06-09 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Control of fibrosis with enhanced safety via asymmetric inhibition of prolyl-tRNA synthetase 1. Embo Mol Med, 15, 2023
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9C0Y
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![BU of 9c0y by Molmil](/molmil-images/mine/9c0y) | Clathrin terminal domain complexed with Pitstop 2c | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Clathrin heavy chain 1, ... | Authors: | Bulut, H, Horatscheck, A, Krauss, M, Santos, K.F, McCluskey, A, Wahl, C.W, Nazare, M, Haucke, V. | Deposit date: | 2024-05-28 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Acute inhibition of clathrin-mediated endocytosis by next-generation small molecule inhibitors of clathrin function To Be Published
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8ZKV
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![BU of 8zkv by Molmil](/molmil-images/mine/8zkv) | |
9FDD
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![BU of 9fdd by Molmil](/molmil-images/mine/9fdd) | |
9C89
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![BU of 9c89 by Molmil](/molmil-images/mine/9c89) | |
9BZR
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![BU of 9bzr by Molmil](/molmil-images/mine/9bzr) | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate | Descriptor: | CHLORIDE ION, MALONIC ACID, N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE, ... | Authors: | Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | Deposit date: | 2024-05-24 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure of Class A Beta-lactamase from Bordetella bronchiseptica RB50 in a complex with clavulonate To Be Published
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9EUC
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![BU of 9euc by Molmil](/molmil-images/mine/9euc) | The FK1 domain of FKBP51 in complex with SAFit-analog 23b | Descriptor: | (1-ethylpyrazol-4-yl)methyl (2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)ethanoyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Buffa, V, Hausch, F. | Deposit date: | 2024-03-27 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 1,4-Pyrazolyl-containing SAFit-analogues are selective FKBP51 inhibitors with improved ligand efficiency and drug-like profile. Chemmedchem, 2024
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9EOW
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7LUR
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![BU of 7lur by Molmil](/molmil-images/mine/7lur) | |
9C11
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![BU of 9c11 by Molmil](/molmil-images/mine/9c11) | Crystal structure of Staphylococcal nuclease variant Delta+PHS L36R at cryogenic temperature | Descriptor: | CALCIUM ION, Nuclease A, THYMIDINE-3',5'-DIPHOSPHATE | Authors: | Zhang, Y, Schlessman, J.L, Siegler, M.A, Garcia-Moreno E, B. | Deposit date: | 2024-05-28 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Domain-swapping promoted by the introduction of a charge in the hydrophobic interior of a protein To Be Published
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9EYR
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![BU of 9eyr by Molmil](/molmil-images/mine/9eyr) | VDR complex with gemini analog UG-480 | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2024-04-09 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
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8ZND
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![BU of 8znd by Molmil](/molmil-images/mine/8znd) | |
9EOC
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![BU of 9eoc by Molmil](/molmil-images/mine/9eoc) | |
9C5S
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![BU of 9c5s by Molmil](/molmil-images/mine/9c5s) | Disulfide-linked, antiparallel p53-derived peptide dimer (CV1) | Descriptor: | Cellular tumor antigen p53, SULFATE ION | Authors: | Vithanage, N, Kreitler, D.K, DiGiorno, M.C, Victorio, C.G, Sawyer, N, Outlaw, V.K. | Deposit date: | 2024-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Structural Characterization of Disulfide-Linked, p53-Derived Peptide Dimers To Be Published
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9FBY
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![BU of 9fby by Molmil](/molmil-images/mine/9fby) | |
9FA7
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![BU of 9fa7 by Molmil](/molmil-images/mine/9fa7) | |
9FQ2
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![BU of 9fq2 by Molmil](/molmil-images/mine/9fq2) | Poliovirus 3C protease in H32 spacegroup | Descriptor: | Protease 3C | Authors: | Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L. | Deposit date: | 2024-06-14 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Poliovirus 3C protease in H32 spacegroup To Be Published
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8ZM1
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![BU of 8zm1 by Molmil](/molmil-images/mine/8zm1) | Structure of human pyruvate dehydrogenase kinase 2 complexed with compound 6 | Descriptor: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | Authors: | Akai, S, Orita, T, Nomura, A, Adachi, T. | Deposit date: | 2024-05-22 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Design and synthesis of novel fluorene derivatives as inhibitors of pyruvate dehydrogenase kinase. Bioorg.Med.Chem.Lett., 109, 2024
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8XM7
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![BU of 8xm7 by Molmil](/molmil-images/mine/8xm7) | Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex: RhoG/DOCK5/ELMO1 focused map | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2023-12-27 | Release date: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.91 Å) | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 2024
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9EX0
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![BU of 9ex0 by Molmil](/molmil-images/mine/9ex0) | X-ray structure of a polyoxidovanadate/lysozyme adduct obtained when the protein is treated with [VIVO(acac)2] in 1.1 M NaCl, 0.1 M sodium acetate at pH 4.0 (Structure A) | Descriptor: | CHLORIDE ION, Lysozyme C, Polyoxidovanadate complex, ... | Authors: | Tito, G, Merlino, A, Ferraro, G. | Deposit date: | 2024-04-05 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Non-Covalent and Covalent Binding of New Mixed-Valence Cage-like Polyoxidovanadate Clusters to Lysozyme. Angew.Chem.Int.Ed.Engl., 2024
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9FE6
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![BU of 9fe6 by Molmil](/molmil-images/mine/9fe6) | Short-chain dehydrogenase/reductase (SDR) from Thermus caliditerrae | Descriptor: | MAGNESIUM ION, SDR family oxidoreductase | Authors: | Kapur, B, Nar, H. | Deposit date: | 2024-05-17 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.875 Å) | Cite: | In silico enzyme screening identifies an SDR ketoreductase from Thermus caliditerrae as an attractive biocatalyst and promising candidate for protein engineering Front Chem Biol, 2024
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9ARD
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![BU of 9ard by Molmil](/molmil-images/mine/9ard) | |
2FR3
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![BU of 2fr3 by Molmil](/molmil-images/mine/2fr3) | |
9F9A
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![BU of 9f9a by Molmil](/molmil-images/mine/9f9a) | Crystal structure of MUS81-EME1 bound by compound 12. | Descriptor: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid, Crossover junction endonuclease EME1, Crossover junction endonuclease MUS81, ... | Authors: | Collie, G.W. | Deposit date: | 2024-05-07 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.911 Å) | Cite: | Fragment-Based Discovery of Novel MUS81 Inhibitors Acs Med.Chem.Lett., 2024
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