5FOM
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![BU of 5fom by Molmil](/molmil-images/mine/5fom) | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain complex with the adduct AMP-AN6426 | Descriptor: | 4-Chloro-3-aminomethyl-7-[ethoxy]-3H-benzo[C][1,2]oxaborol-1-ol modified adenosine, LEUCYL-TRNA SYNTHETASE, PHOSPHATE ION | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-24 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FMV
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![BU of 5fmv by Molmil](/molmil-images/mine/5fmv) | Crystal structure of human CD45 extracellular region, domains d1-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-09 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FN6
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![BU of 5fn6 by Molmil](/molmil-images/mine/5fn6) | Crystal structure of human CD45 extracellular region, domains d1-d3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-10 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FN8
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![BU of 5fn8 by Molmil](/molmil-images/mine/5fn8) | Crystal structure of rat CD45 extracellular region, domains d3-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-11 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FJW
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![BU of 5fjw by Molmil](/molmil-images/mine/5fjw) | |
5FQL
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![BU of 5fql by Molmil](/molmil-images/mine/5fql) | Insights into Hunter syndrome from the structure of iduronate-2- sulfatase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | Authors: | Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J. | Deposit date: | 2015-12-11 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insights into Hunter syndrome from the structure of iduronate-2-sulfatase. Nat Commun, 8, 2017
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7PK1
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![BU of 7pk1 by Molmil](/molmil-images/mine/7pk1) | |
7PK0
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![BU of 7pk0 by Molmil](/molmil-images/mine/7pk0) | |
7PK2
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![BU of 7pk2 by Molmil](/molmil-images/mine/7pk2) | |
5FON
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![BU of 5fon by Molmil](/molmil-images/mine/5fon) | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure) | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-24 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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5FK0
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![BU of 5fk0 by Molmil](/molmil-images/mine/5fk0) | |
7PZT
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![BU of 7pzt by Molmil](/molmil-images/mine/7pzt) | Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase | Authors: | Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA To Be Published
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7Q3H
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![BU of 7q3h by Molmil](/molmil-images/mine/7q3h) | Pentameric ligand-gated ion channel, DeCLIC at pH 7 with 10 mM EDTA | Descriptor: | Neur_chan_LBD domain-containing protein | Authors: | Lycksell, M, Rovsnik, U, Hanke, A, Howard, R.J, Lindahl, E. | Deposit date: | 2021-10-27 | Release date: | 2022-11-16 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Biophysical characterization of calcium-binding and modulatory-domain dynamics in a pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 119, 2022
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7Q3G
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![BU of 7q3g by Molmil](/molmil-images/mine/7q3g) | Pentameric ligand-gated ion channel, DeCLIC at pH 7 with 10 mM Ca2+ | Descriptor: | CALCIUM ION, Neur_chan_LBD domain-containing protein | Authors: | Licksell, M, Rovsnik, U, Hanke, A, Howard, R.J, Lindahl, E. | Deposit date: | 2021-10-27 | Release date: | 2022-11-16 | Last modified: | 2022-12-28 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Biophysical characterization of calcium-binding and modulatory-domain dynamics in a pentameric ligand-gated ion channel. Proc.Natl.Acad.Sci.USA, 119, 2022
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7PTV
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![BU of 7ptv by Molmil](/molmil-images/mine/7ptv) | Structure of the Mimivirus genomic fibre asymmetric unit | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein | Authors: | Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C. | Deposit date: | 2021-09-27 | Release date: | 2022-08-10 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield. Elife, 11, 2022
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5G22
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![BU of 5g22 by Molmil](/molmil-images/mine/5g22) | Plasmodium vivax N-myristoyltransferase in complex with a quinoline inhibitor (compound 26) | Descriptor: | 2-oxopentadecyl-CoA, CHLORIDE ION, ETHYL 4-[(2-CYANOETHYL)SULFANYL]-6-{[6-(PIPERAZIN-1-YL), ... | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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5G20
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![BU of 5g20 by Molmil](/molmil-images/mine/5g20) | Leishmania major N-myristoyltransferase in complex with a quinoline inhibitor (compound 19). | Descriptor: | 6-(BENZYLOXY)-4-(ETHYLSULFANYL)-3-[(MORPHOLIN-4-YL), DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | Authors: | Goncalves, V, Brannigan, J.A, Laporte, A, Bell, A.S, Roberts, S.M, Wilkinson, A.J, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2016-04-06 | Release date: | 2017-02-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure-guided optimization of quinoline inhibitors of Plasmodium N-myristoyltransferase. Medchemcomm, 8, 2017
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5FN7
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![BU of 5fn7 by Molmil](/molmil-images/mine/5fn7) | Crystal structure of human CD45 extracellular region, domains d1-d2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-10 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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7QT8
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![BU of 7qt8 by Molmil](/molmil-images/mine/7qt8) | Room temperature In-situ SARS-CoV-2 MPRO with bound ABT-957 | Descriptor: | (2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide, 3C-like proteinase | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7QT9
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![BU of 7qt9 by Molmil](/molmil-images/mine/7qt9) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584 | Descriptor: | DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6 | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7QT6
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![BU of 7qt6 by Molmil](/molmil-images/mine/7qt6) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110 | Descriptor: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7QT5
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![BU of 7qt5 by Molmil](/molmil-images/mine/7qt5) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168 | Descriptor: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7QT7
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![BU of 7qt7 by Molmil](/molmil-images/mine/7qt7) | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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5G3Q
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![BU of 5g3q by Molmil](/molmil-images/mine/5g3q) | Crystal structure of a hypothetical domain in WNK1 | Descriptor: | WNK1 | Authors: | Pinkas, D.M, Bufton, J.C, Sanvitale, C.E, Bartual, S.G, Adamson, R.J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2016-04-29 | Release date: | 2017-05-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.613 Å) | Cite: | Crystal Structure of a Hypothetical Domain in Wnk1 To be Published
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5EG2
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![BU of 5eg2 by Molmil](/molmil-images/mine/5eg2) | SET7/9 N265A in complex with AdoHcy and TAF10 peptide | Descriptor: | Histone-lysine N-methyltransferase SETD7, S-ADENOSYL-L-HOMOCYSTEINE, SODIUM ION, ... | Authors: | Kroner, G.M, Fick, R.J, Trievel, R.C. | Deposit date: | 2015-10-26 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Sulfur-Oxygen Chalcogen Bonding Mediates AdoMet Recognition in the Lysine Methyltransferase SET7/9. Acs Chem.Biol., 11, 2016
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