4XW4
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![BU of 4xw4 by Molmil](/molmil-images/mine/4xw4) | X-ray structure of PKAc with AMPPNP, SP20, calcium ions | Descriptor: | CALCIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Gerlits, O, Tian, J, Das, A, Taylor, S, Langan, P, Heller, T.W, Kovalevsky, A. | Deposit date: | 2015-01-28 | Release date: | 2015-05-06 | Last modified: | 2015-07-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Phosphoryl Transfer Reaction Snapshots in Crystals: INSIGHTS INTO THE MECHANISM OF PROTEIN KINASE A CATALYTIC SUBUNIT. J.Biol.Chem., 290, 2015
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7NRA
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![BU of 7nra by Molmil](/molmil-images/mine/7nra) | The structure of the SBP TarP_Sse in complex with cinnamate | Descriptor: | HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-03 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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6FC4
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8JUU
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![BU of 8juu by Molmil](/molmil-images/mine/8juu) | rat megalin | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Goto, S, Tsutsumi, A, Lee, Y, Hosojima, M, Kabasawa, H, Komochi, K, Yun-san, L, Nagatoshi, S, Tsumoto, K, Nishizawa, T, Kikkawa, M, Saito, A. | Deposit date: | 2023-06-27 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structures elucidate the multiligand receptor nature of megalin. Proc.Natl.Acad.Sci.USA, 121, 2024
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4XTM
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![BU of 4xtm by Molmil](/molmil-images/mine/4xtm) | Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2015-01-23 | Release date: | 2016-01-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of a recombinant Vatairea macrocarpa seed lectin Int.J.Biochem.Cell Biol., 2016
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5MCM
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![BU of 5mcm by Molmil](/molmil-images/mine/5mcm) | Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 20.6 MGy | Descriptor: | Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION | Authors: | Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F. | Deposit date: | 2016-11-10 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | OH cleavage from tyrosine: debunking a myth. J Synchrotron Radiat, 24, 2017
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4XTP
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![BU of 4xtp by Molmil](/molmil-images/mine/4xtp) | Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with Tn antigen | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, CITRIC ACID, ... | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2015-01-23 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of a recombinant Vatairea macrocarpa seed lectin Int.J.Biochem.Cell Biol., 2016
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7YWP
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![BU of 7ywp by Molmil](/molmil-images/mine/7ywp) | Closed conformation of Oligopeptidase B from Serratia proteomaculans with covalently bound TCK | Descriptor: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide, Oligopeptidase B | Authors: | Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V. | Deposit date: | 2022-02-14 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Inhibitor-Bound Bacterial Oligopeptidase B in the Closed State: Similarity and Difference between Protozoan and Bacterial Enzymes. Int J Mol Sci, 24, 2023
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5MHY
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![BU of 5mhy by Molmil](/molmil-images/mine/5mhy) | The study of the X-ray induced enzymatic reduction of molecular oxygen to water for laccase from Steccherinum murashkinskyi.The seventh structure of the series with total exposition time 183 min. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. | Deposit date: | 2016-11-27 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural study of the X-ray-induced enzymatic reduction of molecular oxygen to water by Steccherinum murashkinskyi laccase: insights into the reaction mechanism. Acta Crystallogr D Struct Biol, 73, 2017
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7NTE
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![BU of 7nte by Molmil](/molmil-images/mine/7nte) | The structure of an open conformation of the SBP TarP_Csal | Descriptor: | MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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7ZG8
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5JSX
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![BU of 5jsx by Molmil](/molmil-images/mine/5jsx) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+ and uridine-diphosphate-glucose (UDP-Glc) | Descriptor: | GLYCEROL, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ... | Authors: | Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E. | Deposit date: | 2016-05-09 | Release date: | 2017-05-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS. Structure, 25, 2017
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6YRY
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5KAS
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![BU of 5kas by Molmil](/molmil-images/mine/5kas) | Murine acid sphingomyelinase-like phosphodiesterase 3b (SMPDL3B) with phosphocholine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acid sphingomyelinase-like phosphodiesterase 3b, ... | Authors: | Gorelik, A, Illes, K, Heinz, L.X, Superti-Furga, G, Nagar, B. | Deposit date: | 2016-06-02 | Release date: | 2016-10-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.619 Å) | Cite: | Crystal Structure of the Acid Sphingomyelinase-like Phosphodiesterase SMPDL3B Provides Insights into Determinants of Substrate Specificity. J.Biol.Chem., 291, 2016
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6P4P
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![BU of 6p4p by Molmil](/molmil-images/mine/6p4p) | Salmonella typhi PltB Homopentamer N29K Mutant | Descriptor: | Putative pertussis-like toxin subunit | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | Deposit date: | 2019-05-28 | Release date: | 2020-03-25 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence. Cell Host Microbe, 27, 2020
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6SHZ
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![BU of 6shz by Molmil](/molmil-images/mine/6shz) | p53 cancer mutant Y220C | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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5MFB
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![BU of 5mfb by Molmil](/molmil-images/mine/5mfb) | Designed armadillo repeat protein YIII(Dq)4CqI | Descriptor: | YIII(Dq)4CqI | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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6SI4
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![BU of 6si4 by Molmil](/molmil-images/mine/6si4) | p53 cancer mutant Y220S in complex with small-molecule stabilizer PK9323 | Descriptor: | 1-[9-ethyl-7-(1,3-thiazol-4-yl)carbazol-3-yl]-~{N}-methyl-methanamine, Cellular tumor antigen p53, GLYCEROL, ... | Authors: | Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-08 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm. Acs Chem.Biol., 15, 2020
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6F92
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![BU of 6f92 by Molmil](/molmil-images/mine/6f92) | Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI) | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | Deposit date: | 2017-12-13 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
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6SDR
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![BU of 6sdr by Molmil](/molmil-images/mine/6sdr) | W-formate dehydrogenase from Desulfovibrio vulgaris - Oxidized form | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Formate dehydrogenase, alpha subunit, ... | Authors: | Oliveira, A.R, Mota, C, Mourato, C, Domingos, R.M, Santos, M.F.A, Gesto, D, Guigliarelli, B, Santos-Silva, T, Romao, M.J, Pereira, I.C. | Deposit date: | 2019-07-29 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Towards the mechanistic understanding of enzymatic CO2 reduction Acs Catalysis, 2020
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6FAC
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![BU of 6fac by Molmil](/molmil-images/mine/6fac) | CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Schmitt, A, Hamann, F, Neumann, P, Ficner, R. | Deposit date: | 2017-12-15 | Release date: | 2018-07-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the spliceosomal DEAH-box ATPase Prp2. Acta Crystallogr D Struct Biol, 74, 2018
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6FFB
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![BU of 6ffb by Molmil](/molmil-images/mine/6ffb) | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal inhibitor | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | Deposit date: | 2018-01-05 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. J.Steroid Biochem.Mol.Biol., 189, 2019
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5KE1
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![BU of 5ke1 by Molmil](/molmil-images/mine/5ke1) | Structure of a C-terminal fragment of the IcsA/VirG passenger-domain | Descriptor: | NICKEL (II) ION, Outer membrane protein IcsA autotransporter | Authors: | Leupold, S, Scrima, A. | Deposit date: | 2016-06-09 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the architecture of the Shigella flexneri virulence factor IcsA/VirG and motifs involved in polar distribution and secretion. J. Struct. Biol., 198, 2017
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4XXD
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![BU of 4xxd by Molmil](/molmil-images/mine/4xxd) | Crystal Structure of mid-region amyloid beta capture by solanezumab | Descriptor: | Amyloid-beta fragment, Fab Heavy Chain, Fab Light Chain | Authors: | Hermans, S.J, Crespi, G.A.N, Parker, M.W, Miles, L.A. | Deposit date: | 2015-01-30 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Molecular basis for mid-region amyloid-beta capture by leading Alzheimer's disease immunotherapies. Sci Rep, 5, 2015
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6P5V
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![BU of 6p5v by Molmil](/molmil-images/mine/6p5v) | Structure of DCN1 bound to N-((4S,5S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-methylbenzamide | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lysozyme,DCN1-like protein 1 fusion, N-[(4S,5S)-1-[(1S)-cyclohex-3-en-1-yl]-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-methylbenzamide | Authors: | Guy, R.K, Kim, H.S, Hammill, J.T, Scott, D.C, Schulman, B.A. | Deposit date: | 2019-05-31 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Discovery of Novel Pyrazolo-pyridone DCN1 Inhibitors Controlling Cullin Neddylation. J.Med.Chem., 62, 2019
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