6Y71
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![BU of 6y71 by Molmil](/molmil-images/mine/6y71) | Pseudomonas stutzeri nitrous oxide reductase mutant, H130A | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-02-27 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase. Chem Sci, 12, 2021
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6MR2
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5FTQ
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![BU of 5ftq by Molmil](/molmil-images/mine/5ftq) | Crystal structure of the ALK kinase domain in complex with Cmpd 17 | Descriptor: | ALK TYROSINE KINASE RECEPTOR, GLYCEROL, N-[5-(3,5-DIFLUOROBENZYL)-1H-INDAZOL-3-YL]-2-[(4-HYDROXYCYCLOHEXYL)AMINO]-4-(4-METHYLPIPERAZIN-1-YL) BENZAMIDE | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | Deposit date: | 2016-01-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor. J.Med.Chem., 59, 2016
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4QPN
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![BU of 4qpn by Molmil](/molmil-images/mine/4qpn) | Crystal Structure of Human Methyltransferase-Like Protein 21B | Descriptor: | Protein-lysine methyltransferase METTL21B, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ... | Authors: | Tempel, W, Hong, B.S, Seitova, A, He, H, Li, Y, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-24 | Release date: | 2014-07-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal Structure of Human Methyltransferase-Like Protein 21B TO BE PUBLISHED
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6MP2
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5C6B
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7PI1
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![BU of 7pi1 by Molmil](/molmil-images/mine/7pi1) | Bacillus subtilis PabB | Descriptor: | Aminodeoxychorismate synthase component 1, MAGNESIUM ION, TRYPTOPHAN | Authors: | Rooms, L.D, Race, P.R. | Deposit date: | 2021-08-19 | Release date: | 2022-09-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.729 Å) | Cite: | Crystal structure of Bacillus subtilis PabB, component 1. To be published
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6MVP
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![BU of 6mvp by Molmil](/molmil-images/mine/6mvp) | HCV NS5B 1b N316 bound to Compound 18 | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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3BSX
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![BU of 3bsx by Molmil](/molmil-images/mine/3bsx) | Crystal Structure of Human Pumilio 1 in complex with Puf5 RNA | Descriptor: | 5'-R(*UP*UP*GP*UP*AP*AP*UP*AP*UP*UP*A)-3', Pumilio homolog 1 | Authors: | Gupta, Y.K, Nair, D.T, Wharton, R.P, Aggarwal, A.K. | Deposit date: | 2007-12-26 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structures of human Pumilio with noncognate RNAs reveal molecular mechanisms for binding promiscuity. Structure, 16, 2008
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8CIB
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![BU of 8cib by Molmil](/molmil-images/mine/8cib) | Structural and functional analysis of the Pseudomonas aeruginosa PA1677 protein | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Cysteine hydrolase, ... | Authors: | Sonnleitner, E, Brear, P, Luisi, B.F, Blasi, U. | Deposit date: | 2023-02-09 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Catabolite repression control protein antagonist, a novel player in Pseudomonas aeruginosa carbon catabolite repression control. Front Microbiol, 14, 2023
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6YOF
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![BU of 6yof by Molmil](/molmil-images/mine/6yof) | Structure of PepTSt from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ... | Authors: | Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M. | Deposit date: | 2020-04-14 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography. Iucrj, 7, 2020
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7B9V
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![BU of 7b9v by Molmil](/molmil-images/mine/7b9v) | Yeast C complex spliceosome at 2.8 Angstrom resolution with Prp18/Slu7 bound | Descriptor: | 5' exon of UBC4 mRNA, BJ4_G0027490.mRNA.1.CDS.1, BJ4_G0054360.mRNA.1.CDS.1, ... | Authors: | Wilkinson, M.E, Fica, S.M, Galej, W.P, Nagai, K. | Deposit date: | 2020-12-14 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for conformational equilibrium of the catalytic spliceosome. Mol.Cell, 81, 2021
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5Y98
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![BU of 5y98 by Molmil](/molmil-images/mine/5y98) | Crystal structure of native unbound peptidyl tRNA hydrolase from Acinetobacter baumannii at 1.36 A resolution | Descriptor: | GLYCEROL, Peptidyl-tRNA hydrolase | Authors: | Iqbal, N, Singh, N, Kaushik, S, Singh, P.K, Sharma, S, Singh, T.P. | Deposit date: | 2017-08-23 | Release date: | 2017-09-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Search of multiple hot spots on the surface of peptidyl-tRNA hydrolase: structural, binding and antibacterial studies. Biochem. J., 475, 2018
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7KZV
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6MN0
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![BU of 6mn0 by Molmil](/molmil-images/mine/6mn0) | Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, H168A mutant in complex with acetyl-CoA | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ACETYL COENZYME *A, Aminoglycoside N(3)-acetyltransferase, ... | Authors: | Stogios, P.J, Skarina, T, Zu, X, Yim, V, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-10-01 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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6T17
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5MR6
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![BU of 5mr6 by Molmil](/molmil-images/mine/5mr6) | XiaF from Streptomyces sp. in complex with FADH2 and Glycerol | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, XiaF protein | Authors: | Kugel, S, Baunach, M, Baer, P, Ishida-Ito, M, Sundaram, S, Xu, Z, Groll, M, Hertweck, C. | Deposit date: | 2016-12-21 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cryptic indole hydroxylation by a non-canonical terpenoid cyclase parallels bacterial xenobiotic detoxification. Nat Commun, 8, 2017
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7KZT
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6MPY
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6PK8
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![BU of 6pk8 by Molmil](/molmil-images/mine/6pk8) | Antibody scFv-M204 dimeric state | Descriptor: | SULFATE ION, scFv-M204 antibody | Authors: | Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S. | Deposit date: | 2019-06-28 | Release date: | 2020-06-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease. J.Biol.Chem., 295, 2020
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7ZAO
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![BU of 7zao by Molmil](/molmil-images/mine/7zao) | Structure of BPP43_05035 of Brachyspira pilosicoli | Descriptor: | MAGNESIUM ION, Sialidase (Neuraminidase) family protein-like protein | Authors: | Rajan, A, Gallego, P, Pelaseyed, T. | Deposit date: | 2022-03-22 | Release date: | 2023-10-11 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | BPP43_05035 is a Brachyspira pilosicoli cell surface adhesin that weakens the integrity of the epithelial barrier during infection Biorxiv, 2024
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8C3Q
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7PNL
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![BU of 7pnl by Molmil](/molmil-images/mine/7pnl) | Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine | Descriptor: | 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION | Authors: | Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A. | Deposit date: | 2021-09-07 | Release date: | 2022-09-21 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition. J Enzyme Inhib Med Chem, 39, 2024
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6MLQ
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![BU of 6mlq by Molmil](/molmil-images/mine/6mlq) | Cryo-EM structure of microtubule-bound Kif7 in the ADP state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Mani, N, Jiang, S, Wilson-Kubalek, E.M, Ku, P, Milligan, R.A, Subramanian, R. | Deposit date: | 2018-09-27 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Interplay between the Kinesin and Tubulin Mechanochemical Cycles Underlies Microtubule Tip Tracking by the Non-motile Ciliary Kinesin Kif7. Dev.Cell, 49, 2019
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6PAG
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![BU of 6pag by Molmil](/molmil-images/mine/6pag) | Killer cell immunoglobulin-like receptor 2DL3 in complex with HLA-C*07:02 | Descriptor: | ARG-TYR-ARG-PRO-GLY-THR-VAL-ALA-LEU, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Moradi, S, Rossjohn, J, Vivian, J.P. | Deposit date: | 2019-06-11 | Release date: | 2020-12-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structural plasticity of KIR2DL2 and KIR2DL3 enables altered docking geometries atop HLA-C. Nat Commun, 12, 2021
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