5VFX
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![BU of 5vfx by Molmil](/molmil-images/mine/5vfx) | Structure of an accessory protein of the pCW3 relaxosome in complex with the origin of transfer (oriT) DNA | Descriptor: | TcpK, oriT | Authors: | Traore, D.A.K, Wisniewski, J.A, Flanigan, S.F, Conroy, P.J, Panjikar, S, Mok, Y.-F, Lao, C, Griffin, M.D.W, Adams, V, Rood, J.I, Whisstock, J.C. | Deposit date: | 2017-04-10 | Release date: | 2018-04-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Crystal structure of TcpK in complex with oriT DNA of the antibiotic resistance plasmid pCW3. Nat Commun, 9, 2018
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5AR5
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![BU of 5ar5 by Molmil](/molmil-images/mine/5ar5) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Benzimidazole | Descriptor: | 2-(2-(4-CHLOROPHENYL)-1H-IMIDAZOL-5-YL)-N,1-BIS(2-METHOXYETHYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE, CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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5AR4
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![BU of 5ar4 by Molmil](/molmil-images/mine/5ar4) | RIP2 Kinase Catalytic Domain (1 - 310) complex with SB-203580 | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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5AR3
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![BU of 5ar3 by Molmil](/molmil-images/mine/5ar3) | RIP2 Kinase Catalytic Domain (1 - 310) complex with AMP-PCP | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-23 | Release date: | 2015-10-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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5C0A
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![BU of 5c0a by Molmil](/molmil-images/mine/5c0a) | 1E6 TCR in complex with HLA-A02 carrying MVW peptide | Descriptor: | 1,2-ETHANEDIOL, 1E6 TCR Alpha Chain, 1E6 TCR Beta Chain, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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8BAD
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![BU of 8bad by Molmil](/molmil-images/mine/8bad) | Tpp80Aa1 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | Authors: | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | Deposit date: | 2022-10-11 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids. Toxins, 14, 2022
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5C0D
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![BU of 5c0d by Molmil](/molmil-images/mine/5c0d) | HLA-A02 carrying AQWGPDPAAA | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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5C0J
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![BU of 5c0j by Molmil](/molmil-images/mine/5c0j) | HLA-A02 carrying RQFGPDWIVA | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | Authors: | Rizkallah, P.J, Bulek, A.M, Cole, D.K, Sewell, A.K. | Deposit date: | 2015-06-12 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Hotspot autoimmune T cell receptor binding underlies pathogen and insulin peptide cross-reactivity. J.Clin.Invest., 126, 2016
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6H8E
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![BU of 6h8e by Molmil](/molmil-images/mine/6h8e) | Truncated derivative of the C-terminal domain of the TssA component of the type VI secretion system from Burkholderia cenocepacia | Descriptor: | Type VI secretion protein ImpA | Authors: | Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S. | Deposit date: | 2018-08-02 | Release date: | 2018-11-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural insights into the function of type VI secretion system TssA subunits. Nat Commun, 9, 2018
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5EAP
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![BU of 5eap by Molmil](/molmil-images/mine/5eap) | Crystal structure of human WDR5 in complex with compound 9e | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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5TIX
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![BU of 5tix by Molmil](/molmil-images/mine/5tix) | Schistosoma haematobium (Blood Fluke) Sulfotransferase/R-oxamniquine Complex | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol | Authors: | Taylor, A.B, Hart, P.J. | Deposit date: | 2016-10-03 | Release date: | 2017-05-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural and enzymatic insights into species-specific resistance to schistosome parasite drug therapy. J. Biol. Chem., 292, 2017
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5DTF
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![BU of 5dtf by Molmil](/molmil-images/mine/5dtf) | |
6HCN
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![BU of 6hcn by Molmil](/molmil-images/mine/6hcn) | Adenovirus Type 5 Fiber Knob protein at 1.49A resolution | Descriptor: | 1,2-ETHANEDIOL, Fiber protein, MAGNESIUM ION | Authors: | Rizkallah, P.J, Parker, A.L, Baker, A.T. | Deposit date: | 2018-08-15 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions. Nat Commun, 10, 2019
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8A6E
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![BU of 8a6e by Molmil](/molmil-images/mine/8a6e) | 100 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-06-17 | Release date: | 2023-03-29 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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5EAR
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![BU of 5ear by Molmil](/molmil-images/mine/5ear) | Crystal structure of human WDR5 in complex with compound 9d | Descriptor: | 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... | Authors: | DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2015-10-16 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
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8A6D
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![BU of 8a6d by Molmil](/molmil-images/mine/8a6d) | 10 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-06-17 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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5THR
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![BU of 5thr by Molmil](/molmil-images/mine/5thr) | Cryo-EM structure of a BG505 Env-sCD4-17b-8ANC195 complex | Descriptor: | 17b Fab VH domain, 17b Fab VL domain, 8ANC195 G52K5 VH domain, ... | Authors: | Wang, H, Bjorkman, P.J. | Deposit date: | 2016-09-30 | Release date: | 2016-11-16 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Cryo-EM structure of a CD4-bound open HIV-1 envelope trimer reveals structural rearrangements of the gp120 V1V2 loop. Proc.Natl.Acad.Sci.USA, 113, 2016
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8A6C
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![BU of 8a6c by Molmil](/molmil-images/mine/8a6c) | 1 picosecond light activated crystal structure of bovine rhodopsin in Lipidic Cubic Phase | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C.J, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P.J.M, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C.M, Diethelm, A.D, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-06-17 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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6HWK
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![BU of 6hwk by Molmil](/molmil-images/mine/6hwk) | Glucosamine kinase (crystal form B) | Descriptor: | CHLORIDE ION, Glucosamine kinase, MAGNESIUM ION | Authors: | Manso, J.A, Pereira, P.J.B. | Deposit date: | 2018-10-12 | Release date: | 2019-05-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.688 Å) | Cite: | Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity. Mbio, 10, 2019
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5VJ6
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![BU of 5vj6 by Molmil](/molmil-images/mine/5vj6) | |
5VF5
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![BU of 5vf5 by Molmil](/molmil-images/mine/5vf5) | Crystal structure of the vicilin from Solanum melongena, re-refinement | Descriptor: | ACETATE ION, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Porebski, P.J, Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B. | Deposit date: | 2017-04-06 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Detect, correct, retract: How to manage incorrect structural models. FEBS J., 285, 2018
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5VIG
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![BU of 5vig by Molmil](/molmil-images/mine/5vig) | Crystal structure of anti-Zika antibody Z006 bound to Zika virus envelope protein DIII | Descriptor: | CITRATE ANION, Fab heavy chain, Fab light chain, ... | Authors: | Keeffe, J.R, West Jr, A.P, Gristick, H.B, Bjorkman, P.J. | Deposit date: | 2017-04-16 | Release date: | 2017-05-03 | Last modified: | 2017-05-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recurrent Potent Human Neutralizing Antibodies to Zika Virus in Brazil and Mexico. Cell, 169, 2017
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5BRZ
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![BU of 5brz by Molmil](/molmil-images/mine/5brz) | MAGE-A3 reactive TCR in complex with MAGE-A3 in HLA-A1 | Descriptor: | Beta-2-microglobulin, GLU-VAL-ASP-PRO-ILE-GLY-HIS-LEU-TYR, HLA class I histocompatibility antigen, ... | Authors: | Raman, M.C.C, Rizkallah, P.J, Simmons, R, Donnellan, Z, Dukes, J, Bossi, G, LeProvost, G, Mahon, T, Hickman, E, LomaX, M, Oates, J, Hassan, N, Vuidepot, A, Sami, M, Cole, D.K, Jakobsen, B.K. | Deposit date: | 2015-06-01 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Direct molecular mimicry enables off-target cardiovascular toxicity by an enhanced affinity TCR designed for cancer immunotherapy. Sci Rep, 6, 2016
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5VKW
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![BU of 5vkw by Molmil](/molmil-images/mine/5vkw) | Crystal structure of adenylosuccinate lyase ADE13 from Candida albicans | Descriptor: | Adenylosuccinate lyase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-04-24 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Crystal structure of adenylosuccinate lyase ADE13 from Candida albicans To Be Published
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5BT0
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![BU of 5bt0 by Molmil](/molmil-images/mine/5bt0) | Switching GFP fluorescence using genetically encoded phenyl azide chemistry through two different non-native post-translational modifications routes at the same position. | Descriptor: | Green fluorescent protein, SULFATE ION | Authors: | Hartley, A.M, Worthy, H.L, Reddington, S.C, Rizkallah, P.J, Jones, D.D. | Deposit date: | 2015-06-02 | Release date: | 2016-07-13 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular basis for functional switching of GFP by two disparate non-native post-translational modifications of a phenyl azide reaction handle. Chem Sci, 7, 2016
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