7NX0
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![BU of 7nx0 by Molmil](/molmil-images/mine/7nx0) | LTK:ALKAL1 complex stabilized by a Nanobody | Descriptor: | ALK and LTK ligand 1, Leukocyte tyrosine kinase receptor, Nb3.16, ... | Authors: | De Munck, S, Savvides, S.N. | Deposit date: | 2021-03-17 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of cytokine-mediated activation of ALK family receptors. Nature, 600, 2021
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8RNY
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![BU of 8rny by Molmil](/molmil-images/mine/8rny) | Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)] | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | Deposit date: | 2024-01-11 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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7O5Z
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![BU of 7o5z by Molmil](/molmil-images/mine/7o5z) | Human phosphomannomutase 2 (PMM2) with mutation T237M in apo state | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | Deposit date: | 2021-04-09 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures. J Inherit Metab Dis, 45, 2022
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7O58
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![BU of 7o58 by Molmil](/molmil-images/mine/7o58) | Human phosphomannomutase 2 (PMM2) with mutation T237M in complex with the activator glucose 1,6-bisphosphate | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | Deposit date: | 2021-04-08 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures. J Inherit Metab Dis, 45, 2022
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7OEY
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![BU of 7oey by Molmil](/molmil-images/mine/7oey) | Neisseria gonnorhoeae variant E93Q at 1.35 angstrom resolution | Descriptor: | GLYCEROL, SODIUM ION, SUCCINIC ACID, ... | Authors: | Rabe von Pappenheim, F, Wensien, M, Tittmann, K. | Deposit date: | 2021-05-04 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Widespread occurrence of covalent lysine-cysteine redox switches in proteins. Nat.Chem.Biol., 18, 2022
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2E4R
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7OIY
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![BU of 7oiy by Molmil](/molmil-images/mine/7oiy) | Crystal structure of the ZUFSP family member Mug105 | Descriptor: | SODIUM ION, Ubiquitin carboxyl-terminal hydrolase mug105 | Authors: | Pichlo, C, Hermanns, T, Hofmann, K, Baumann, U. | Deposit date: | 2021-05-12 | Release date: | 2022-02-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A structural basis for the diverse linkage specificities within the ZUFSP deubiquitinase family. Nat Commun, 13, 2022
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7OIN
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![BU of 7oin by Molmil](/molmil-images/mine/7oin) | Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift | Descriptor: | LSSmScarlet - Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift, SODIUM ION, SULFATE ION | Authors: | Boyko, K.M, Nikolaeva, A.Y, Dorovatovskii, P.V, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Ivashkina, O.I, Popov, V.O, Subach, F.V. | Deposit date: | 2021-05-12 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | LSSmScarlet, dCyRFP2s, dCyOFP2s and CRISPRed2s, Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift. Int J Mol Sci, 22, 2021
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8FBX
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![BU of 8fbx by Molmil](/molmil-images/mine/8fbx) | Selenosugar synthase SenB from Variovorax paradoxus | Descriptor: | CHLORIDE ION, SODIUM ION, Selenosugar synthase SenB | Authors: | Ireland, K.A, Davis, K.M. | Deposit date: | 2022-11-30 | Release date: | 2023-11-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis. Biochemistry, 62, 2023
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7NXU
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![BU of 7nxu by Molmil](/molmil-images/mine/7nxu) | Crystal structure of the tick-borne encephalitis virus NS3 helicase in complex with ADP-Pi | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, NS3 helicase domain, ... | Authors: | Anindita, P.D, Grinkevich, P, Franta, Z. | Deposit date: | 2021-03-19 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic insight into the RNA-stimulated ATPase activity of tick-borne encephalitis virus helicase. J.Biol.Chem., 298, 2022
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7NTQ
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![BU of 7ntq by Molmil](/molmil-images/mine/7ntq) | Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Dupre, E, Villeret, V, Hanoulle, X. | Deposit date: | 2021-03-10 | Release date: | 2022-03-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.495 Å) | Cite: | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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7OI2
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![BU of 7oi2 by Molmil](/molmil-images/mine/7oi2) | SaFtsz complexed with GDP (NaCl purification) | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu Morales, J.M. | Deposit date: | 2021-05-11 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics. Plos Biol., 20, 2022
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2EHQ
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![BU of 2ehq by Molmil](/molmil-images/mine/2ehq) | Crystal analysis of 1-pyrroline-5-carboxylate dehydrogenase from thermus with bound NADP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-pyrroline-5-carboxylate dehydrogenase, ACETATE ION, ... | Authors: | Inagaki, E, Sakamoto, K, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-03-07 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | New insights into the binding mode of coenzymes: structure of Thermus thermophilus Delta1-pyrroline-5-carboxylate dehydrogenase complexed with NADP+. Acta Crystallogr.,Sect.F, 63, 2007
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8RPM
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7NTW
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7NTT
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7OFK
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![BU of 7ofk by Molmil](/molmil-images/mine/7ofk) | Ligand complex of RORg LBD | Descriptor: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2021-05-05 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
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7OFI
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![BU of 7ofi by Molmil](/molmil-images/mine/7ofi) | Ligand complex of RORg LBD | Descriptor: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2021-05-05 | Release date: | 2022-03-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2. J.Med.Chem., 64, 2021
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7NWR
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![BU of 7nwr by Molmil](/molmil-images/mine/7nwr) | Structure of BT1526, a myo-inositol-1-phosphate synthase | Descriptor: | Inositol-3-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Basle, A, Tang, G, Marles-Wright, J, Campopiano, D. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of inositol lipid metabolism in gut-associated Bacteroidetes. Nat Microbiol, 7, 2022
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8PKX
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![BU of 8pkx by Molmil](/molmil-images/mine/8pkx) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 11 (ortho-WRCNPETaEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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8FR5
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![BU of 8fr5 by Molmil](/molmil-images/mine/8fr5) | Crystal structure of the Human Smacovirus 1 Rep domain | Descriptor: | MANGANESE (II) ION, Rep, SODIUM ION | Authors: | Limon, L.K, Shi, K, Dao, A, Rugloski, J, Tompkins, K.J, Aihara, H, Gordon, W.R, Evans IIII, R.L. | Deposit date: | 2023-01-06 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | The crystal structure of the human smacovirus 1 Rep domain. Acta Crystallogr.,Sect.F, 79, 2023
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8PZ0
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![BU of 8pz0 by Molmil](/molmil-images/mine/8pz0) | Intracellular leucine aminopeptidase of Pseudomonas aeruginosa PA14. | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Simpson, M.C, Czekster, C.M, Harding, C.J. | Deposit date: | 2023-07-26 | Release date: | 2023-11-15 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unveiling the Catalytic Mechanism of a Processive Metalloaminopeptidase. Biochemistry, 62, 2023
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8PKV
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![BU of 8pkv by Molmil](/molmil-images/mine/8pkv) | Kelch domain of KEAP1 in complex with a ortho-dimethylbenzene linked cyclic peptide 4 (ortho-WRCDEETGEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
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7O2O
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7NZW
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![BU of 7nzw by Molmil](/molmil-images/mine/7nzw) | Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | Descriptor: | 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2021-03-24 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal structure of chimeric carbonic anhydrase VA To Be Published
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