7NQR
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![BU of 7nqr by Molmil](/molmil-images/mine/7nqr) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168 | Descriptor: | (S)-N-(1-cyclopropylethyl)-6-methylpicolinamide, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AMP PHOSPHORAMIDATE, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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6EKE
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7A2U
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![BU of 7a2u by Molmil](/molmil-images/mine/7a2u) | |
5LHY
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![BU of 5lhy by Molmil](/molmil-images/mine/5lhy) | PB3 Domain of Human PLK4 (apo) | Descriptor: | Serine/threonine-protein kinase PLK4 | Authors: | Cottee, M.A, Johnson, S, Lea, S.M. | Deposit date: | 2016-07-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies. Biol Open, 6, 2017
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6UAF
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![BU of 6uaf by Molmil](/molmil-images/mine/6uaf) | Crystal Structure of the Metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the Complex with Hydrolyzed Imipnem | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of the Metallo-beta-lactamase L1 from Stenotrophomonas maltophilia in the Complex with Hydrolyzed Imipnem To Be Published
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6QW1
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![BU of 6qw1 by Molmil](/molmil-images/mine/6qw1) | The Transcriptional Regulator PrfA-L140F mutant from Listeria Monocytogenes | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2019-03-05 | Release date: | 2020-04-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes. J.Bacteriol., 202, 2020
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7A3D
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6U1R
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![BU of 6u1r by Molmil](/molmil-images/mine/6u1r) | SxtG an amidinotransferase from the Microseira wollei in Saxitoxin biosynthetic pathway | Descriptor: | FORMIC ACID, SxtG | Authors: | Mallik, L, Lukowski, A.L, Narayan, A.R.H, Koutmos, M. | Deposit date: | 2019-08-16 | Release date: | 2020-03-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Substrate Promiscuity of a Paralytic Shellfish Toxin Amidinotransferase. Acs Chem.Biol., 15, 2020
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7NQU
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![BU of 7nqu by Molmil](/molmil-images/mine/7nqu) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z396380540 | Descriptor: | AMP PHOSPHORAMIDATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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6QWG
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![BU of 6qwg by Molmil](/molmil-images/mine/6qwg) | Serial Femtosecond Crystallography Structure of Cu Nitrite Reductase from Achromobacter cycloclastes: Nitrite complex at Room Temperature | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | Authors: | Ebrahim, A.E, Moreno-Chicano, T, Appleby, M.V, Worrall, J.W, Duyvesteyn, H.M.E, Strange, R.W, Beale, J, Axford, D, Sherrell, D.A, Sugimoto, H, Owada, S, Tono, K, Owen, R.L. | Deposit date: | 2019-03-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-throughput structures of protein-ligand complexes at room temperature using serial femtosecond crystallography. Iucrj, 6, 2019
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8SG6
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![BU of 8sg6 by Molmil](/molmil-images/mine/8sg6) | SARS-CoV-2 Main Protease (Mpro) H163A Mutant Reduced with 20mM TCEP | Descriptor: | 3C-like proteinase nsp5, GLYCEROL | Authors: | Tran, N, McLeod, M.J, Barwell, S, Kalyaanamoorthy, S, Ganesan, A, Holyoak, T. | Deposit date: | 2023-04-11 | Release date: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The H163A mutation unravels an oxidized conformation of the SARS-CoV-2 main protease. Nat Commun, 14, 2023
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6EM6
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6EFR
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![BU of 6efr by Molmil](/molmil-images/mine/6efr) | Crystal Structure of iNicSnFR 1.0 | Descriptor: | iNicSnFR 1.0, a genetically encoded nicotine biosensor,Green fluorescent protein | Authors: | Shivange, A.V, Borden, P.M. | Deposit date: | 2018-08-17 | Release date: | 2019-01-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nicotinic Drugs in the Endoplasmic Reticulum: Beginning the Inside-out Pathway of Addiction and Therapy J.Gen.Physiol., 2019
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7NQS
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![BU of 7nqs by Molmil](/molmil-images/mine/7nqs) | Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138 | Descriptor: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, AMP PHOSPHORAMIDATE, GLYCEROL, ... | Authors: | Mohamad, N, O'Donoghue, A, Kantsadi, A.L, Vakonakis, I. | Deposit date: | 2021-03-02 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structures of P. falciparum Hsp70-x nucleotide binding domain with small molecule ligands To Be Published
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6M7M
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![BU of 6m7m by Molmil](/molmil-images/mine/6m7m) | rac-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712 | Descriptor: | L-GSTSTA from ice nucleation protein, inaZ, and its enantiomer, ... | Authors: | Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A. | Deposit date: | 2018-08-20 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ. IUCrJ, 6, 2019
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8SEM
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8SJJ
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![BU of 8sjj by Molmil](/molmil-images/mine/8sjj) | X-ray structure of the metastable SEPT14-SEPT7 heterodimeric coiled coil | Descriptor: | DI(HYDROXYETHYL)ETHER, SODIUM ION, Septin 7, ... | Authors: | Cavini, I.A, Pereira, H.M, Garratt, R.C. | Deposit date: | 2023-04-18 | Release date: | 2023-09-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | X-ray structure of the metastable SEPT14-SEPT7 coiled coil reveals a hendecad region crucial for heterodimerization. Acta Crystallogr D Struct Biol, 79, 2023
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6QXX
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![BU of 6qxx by Molmil](/molmil-images/mine/6qxx) | Pink beam serial crystallography: Lysozyme, 5 us exposure, 14793 patterns merged | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Lieske, J, Tolstikova, A, Meents, A. | Deposit date: | 2019-03-08 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1 kHz fixed-target serial crystallography using a multilayer monochromator and an integrating pixel detector. Iucrj, 6, 2019
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7AE4
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6QYC
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![BU of 6qyc by Molmil](/molmil-images/mine/6qyc) | |
6EQ1
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4XOJ
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![BU of 4xoj by Molmil](/molmil-images/mine/4xoj) | Structure of bovine trypsin in complex with analogues of sunflower inhibitor 1 (SFTI-1) | Descriptor: | 1,2-ETHANEDIOL, AMMONIUM ION, CALCIUM ION, ... | Authors: | Golik, P, Malicki, S, Grudnik, P, Karna, N, Debowski, D, Legowska, A, Wladyka, B, Gitlin, A, Brzozowski, K, Dubin, G, Rolka, K. | Deposit date: | 2015-01-16 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Investigation of Serine-Proteinase-Catalyzed Peptide Splicing in Analogues of Sunflower Trypsin Inhibitor 1 (SFTI-1). Chembiochem, 16, 2015
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6EJ0
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![BU of 6ej0 by Molmil](/molmil-images/mine/6ej0) | Crystal structure of KDM5B in complex with KDOPZ000049a. | Descriptor: | 1,2-ETHANEDIOL, 7-oxidanylidene-6-propan-2-yl-5-[1-(1-prop-2-enoylpiperidin-4-yl)pyrazol-4-yl]-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F. | Deposit date: | 2017-09-19 | Release date: | 2018-05-02 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Crystal structure of KDM5B in complex with KDOPZ000049a. to be published
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5IKW
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![BU of 5ikw by Molmil](/molmil-images/mine/5ikw) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-(6-{3-[(cyclopropylsulfonyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-04 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with a 3-acylaminoindazole inhibitor GSK3236425A To Be Published
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6QZH
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![BU of 6qzh by Molmil](/molmil-images/mine/6qzh) | Structure of the human CC Chemokine Receptor 7 in complex with the intracellular allosteric antagonist Cmp2105 and the insertion protein Sialidase NanA | Descriptor: | 3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide, C-C chemokine receptor type 7,Sialidase A,C-C chemokine receptor type 7, D(-)-TARTARIC ACID, ... | Authors: | Jaeger, K, Bruenle, S, Weinert, T, Guba, W, Muehle, J, Miyazaki, T, Weber, M, Furrer, A, Haenggi, N, Tetaz, T, Huang, C.Y, Mattle, D, Vonach, J.M, Gast, A, Kuglstatter, A, Rudolph, M.G, Nogly, P, Benz, J, Dawson, R.J.P, Standfuss, J. | Deposit date: | 2019-03-11 | Release date: | 2019-09-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for Allosteric Ligand Recognition in the Human CC Chemokine Receptor 7. Cell, 178, 2019
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