8D6K
 
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | Descriptor: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | Authors: | Jayasinghe, T.J, Ronning, D.R. | | Deposit date: | 2022-06-06 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
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6PX2
 | | Acropora millepora GAPDH | | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | | Authors: | Brandt, G.S, Fields, P.A. | | Deposit date: | 2019-07-24 | | Release date: | 2019-12-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Thermal stability and structure of glyceraldehyde-3-phosphate dehydrogenase from the coral Acropora millepora.
Rsc Adv, 11, 2021
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6PT8
 | | Crystal Structure of CobT from Methanocaldococcus jannaschii in complex with Adenine Alpha-Ribotide and Nicotinic Acid | | Descriptor: | ALPHA-ADENOSINE MONOPHOSPHATE, NICOTINIC ACID, PHOSPHATE ION, ... | | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante, J.C, Rayment, I. | | Deposit date: | 2019-07-15 | | Release date: | 2020-07-22 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
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6PTF
 | | Crystal Structure of CobT from Methanocaldococcus jannaschii in Apo State | | Descriptor: | UPF0284 protein MJ1598 | | Authors: | Schwarzwalder, A.H, Jeter, V.L, Vecellio, A.A, Erpenbach, E, Escalante-Semerena, J.C, Rayment, I. | | Deposit date: | 2019-07-15 | | Release date: | 2020-07-22 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Structural studies of the phosphoribosyltransferase involved in cobamide biosynthesis in methanogenic archaea and cyanobacteria.
Sci Rep, 12, 2022
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6Q29
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6QE4
 | | Re-refinement of 5OLI human IBA57-I3C | | Descriptor: | 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Putative transferase CAF17, mitochondrial | | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L, Nasta, V. | | Deposit date: | 2019-01-04 | | Release date: | 2019-03-13 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
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6QE3
 | | Re-refinement of 6ESR human IBA57 at 1.75 A resolution | | Descriptor: | Putative transferase CAF17, mitochondrial | | Authors: | Calderone, V, Ciofi-Baffoni, S, Gourdoupis, S, Banci, L. | | Deposit date: | 2019-01-04 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity.
Acta Crystallogr D Struct Biol, 75, 2019
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8EJX
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6RGJ
 | | Photorhabdus asymbiotica lectin PHL in complex with D-glucose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... | | Authors: | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | | Deposit date: | 2019-04-16 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
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3QI3
 | | Crystal structure of PDE9A(Q453E) in complex with inhibitor BAY73-6691 | | Descriptor: | 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | Authors: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | | Deposit date: | 2011-01-26 | | Release date: | 2011-04-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine.
Plos One, 6, 2011
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6RWV
 | | Structure of apo-LmCpfC | | Descriptor: | Ferrochelatase, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | | Deposit date: | 2019-06-06 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6386379 Å) | | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
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5MAL
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7NW2
 | | Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47 | | Descriptor: | 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium | | Deposit date: | 2021-03-16 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
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5W8W
 | | Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 - new refinement | | Descriptor: | Metallo-beta-lactamase type 2, SULFATE ION, UNKNOWN ATOM OR ION, ... | | Authors: | Gonzalez, J.M, Shabalin, I.G, Raczynska, J.E, Jaskolski, M, Minor, W, Wlodawer, A, Gonzalez, M.M, Vila, A.J. | | Deposit date: | 2017-06-22 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6SUD
 | | Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, ... | | Authors: | Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. | | Deposit date: | 2019-09-13 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
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5NBK
 | | NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data | | Descriptor: | CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ... | | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | | Deposit date: | 2017-03-02 | | Release date: | 2018-10-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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6SRD
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6SV3
 | | Structure of coproheme-LmCpfC | | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Ferrochelatase, GLYCEROL | | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | | Deposit date: | 2019-09-17 | | Release date: | 2019-12-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.64000869 Å) | | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
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6TO0
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3IZ0
 | | Human Ndc80 Bonsai Decorated Microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Alushin, G.M, Ramey, V.H, Pasqualato, S, Ball, D.A, Grigorieff, N, Musacchio, A, Nogales, E. | | Deposit date: | 2010-08-09 | | Release date: | 2010-10-13 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (8.6 Å) | | Cite: | The Ndc80 kinetochore complex forms oligomeric arrays along microtubules.
Nature, 467, 2010
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6TOW
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6TRH
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5OFT
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6TXW
 | | V30G Transthyretin structure in complex with Tolcalpone | | Descriptor: | Tolcapone, Transthyretin | | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.153 Å) | | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
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6TXV
 | | A25T Transthyretin structure in complex with Tolcalpone | | Descriptor: | Tolcapone, Transthyretin | | Authors: | Varejao, N, Reverter, D, Pinheiro, F, Pallares, I, Ventura, S. | | Deposit date: | 2020-01-14 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Tolcapone, a potent aggregation inhibitor for the treatment of familial leptomeningeal amyloidosis.
Febs J., 288, 2021
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