6XUD
 
 | | Apo Ab 1116NS19.9 | | Descriptor: | Heavy chain, Light chain | | Authors: | Diskin, R, Borenstein-Katz, A. | | Deposit date: | 2020-01-19 | | Release date: | 2021-01-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
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8PN4
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7OVV
 | | Crystal structure of the Arabidopsis thaliana thialysine acetyltransferase AtNATA2 | | Descriptor: | Probable acetyltransferase NATA1-like, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | Authors: | Layer, D, Kopp, J, Sinning, I. | | Deposit date: | 2021-06-15 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural insights into the Arabidopsis thaliana thialysine acetyltransferase AtNATA2
To Be Published
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6XUL
 | | Apo Ab 5b1 | | Descriptor: | Heavy chain, Light chain | | Authors: | Diskin, R, Borenstein-Katz, A. | | Deposit date: | 2020-01-20 | | Release date: | 2021-02-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Biomolecular Recognition of the Glycan Neoantigen CA19-9 by Distinct Antibodies.
J.Mol.Biol., 433, 2021
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6EKX
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8PG3
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2729 | | Descriptor: | 7-[(1~{S})-1-[5-(2-azanylethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2729
To Be Published
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8PGO
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3183 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylamino)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3183
To Be Published
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7OWR
 | | HsNMT1 in complex with both MyrCoA and peptide GGKSFSKPR | | Descriptor: | GLY-GLY-LYS-SER-PHE-SER-LYS-PRO-ARG, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Dian, C, Giglione, C, Meinnel, T. | | Deposit date: | 2021-06-18 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
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5TFO
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7OWQ
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6EQJ
 | | Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant, apo form | | Descriptor: | 1,2-ETHANEDIOL, Glycogenin-1 | | Authors: | Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W. | | Deposit date: | 2017-10-13 | | Release date: | 2017-12-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
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7OWU
 | | HsNMT1 in complex with both CoA and Myr-ANCFSKPR peptide | | Descriptor: | ALA-ASN-CYS-PHE-SER-LYS-PRO-ARG, COENZYME A, GLYCEROL, ... | | Authors: | Dian, C, Giglione, C, Meinnel, T. | | Deposit date: | 2021-06-18 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
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5TG1
 | | 1.40 A resolution structure of Norovirus 3CL protease in complex with the a m-chlorophenyl substituted macrocyclic inhibitor (17-mer) | | Descriptor: | (4S,7S,17S)-17-(3-chlorophenyl)-7-(hydroxymethyl)-4-(2-methylpropyl)-1-oxa-3,6,11-triazacycloheptadecane-2,5,10-trione, 3C-LIKE PROTEASE, CHLORIDE ION | | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Kankanamalage, A.C.G, Chang, K.-O, Groutas, W.C. | | Deposit date: | 2016-09-27 | | Release date: | 2017-01-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design, synthesis, and evaluation of a novel series of macrocyclic inhibitors of norovirus 3CL protease.
Eur J Med Chem, 127, 2016
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8PKQ
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6P6Q
 | | HCV NS3/4A protease domain of genotype 1a3a chimera in complex with grazoprevir | | Descriptor: | (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 4A,Serine protease NS3, ... | | Authors: | Timm, J, Schiffer, C.A. | | Deposit date: | 2019-06-04 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Molecular mechanism of pan-genotypic HCV NS3/4A protease inhibition by glecaprevir and characterization of genotype-specific structural differences
To Be Published
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6IOS
 | | The ligand binding domain of Mlp24 with proline | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Takahashi, Y, Sumita, K, Nishiyama, S, Kawagishi, I, Imada, K. | | Deposit date: | 2018-10-31 | | Release date: | 2019-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Calcium Ions Modulate Amino Acid Sensing of the Chemoreceptor Mlp24 ofVibrio cholerae.
J. Bacteriol., 201, 2019
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7Z6F
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8PG9
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2817 | | Descriptor: | 7-[(1~{S})-1-[(5~{S})-5-(3-azanylpropyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]ethyl]-3-[3-fluoranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2817
To Be Published
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7P4O
 | | Crystal structure of Autotaxin and 9(R)-delta6a,10a-THC | | Descriptor: | (9~{R},10~{a}~{S})-6,6,9-trimethyl-3-pentyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | | Authors: | Eymery, M.C, McCarthy, A.A, Hausmann, J. | | Deposit date: | 2021-07-12 | | Release date: | 2022-12-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
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6XWK
 | | Crystal structure of Phormidium rubidum phycocyanin | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | | Authors: | Sonani, R.R, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Revisiting high-resolution crystal structure of Phormidium rubidum phycocyanin.
Photosyn. Res., 144, 2020
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6EL8
 | | Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA | | Descriptor: | DNA (5'-D(*GP*GP*TP*GP*GP*CP*GP*TP*CP*TP*TP*CP*A)-3'), DNA (5'-D(*TP*GP*AP*AP*GP*AP*CP*GP*CP*CP*AP*CP*C)-3'), Forkhead box protein N1 | | Authors: | Newman, J.A, Aitkenhead, H.A, Pinkas, D.M, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-09-28 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Crystal structure of the Forkhead domain of human FOXN1 in complex with DNA
To be published
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7OWO
 | | HsNMT1 in complex with both MyrCoA and N-acetylated KSFSKPR peptide | | Descriptor: | COENZYME A, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Dian, C, Giglione, C, Meinnel, T. | | Deposit date: | 2021-06-18 | | Release date: | 2022-12-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
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5EHO
 | | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach | | Descriptor: | DIMETHYL SULFOXIDE, Dual specificity protein kinase TTK, ~{N}8-cyclohexyl-~{N}2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine | | Authors: | Innocenti, P, Woodward, H.L, Solanki, S, Naud, N, Westwood, I.M, Cronin, N, Hayes, A, Roberts, J, Henley, A.T, Baker, R, Faisal, A, Mak, G, Box, G, Valenti, M, De Haven Brandon, A, O'Fee, L, Saville, J, Schmitt, J, Burke, R, van Montfort, R.L.M, Raymaud, F.I, Eccles, S.A, Linardopoulos, S, Blagg, J, Hoelder, S. | | Deposit date: | 2015-10-28 | | Release date: | 2016-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
To Be Published
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8PGY
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 3462 | | Descriptor: | 7-[(1~{S})-1-[2-(aminomethyl)-6-oxidanylidene-5-oxa-7-azaspiro[3.4]octan-7-yl]ethyl]-3-(6-methoxy-5-oxidanyl-pyridin-3-yl)-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | Deposit date: | 2023-06-18 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 3462
To Be Published
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6XWU
 | | Crystal structure of drosophila melanogaster CENP-C cumin domain | | Descriptor: | RE68959p | | Authors: | Jeyaprakash, A.A, Medina-Pritchard, B, Lazou, V, Zou, J, Byron, O, Abad, M.A, Rappsilber, J, Heun, P. | | Deposit date: | 2020-01-24 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural basis for centromere maintenance by Drosophila CENP-A chaperone CAL1.
Embo J., 39, 2020
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