8HG5
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![BU of 8hg5 by Molmil](/molmil-images/mine/8hg5) | Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ... | Authors: | Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z. | Deposit date: | 2022-11-13 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers. Elife, 12, 2023
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8HC1
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![BU of 8hc1 by Molmil](/molmil-images/mine/8hc1) | CryoEM structure of Helicobacter pylori UreFD/urease complex | Descriptor: | Urease accessory protein UreF, Urease accessory protein UreH, Urease subunit alpha, ... | Authors: | Nim, Y.S, Fong, I.Y.H, Deme, J, Tsang, K.L, Caesar, J, Johnson, S, Wong, K.B, Lea, S.M. | Deposit date: | 2022-11-01 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Delivering a toxic metal to the active site of urease. Sci Adv, 9, 2023
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3I35
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![BU of 3i35 by Molmil](/molmil-images/mine/3i35) | Human SH3 domain of protein LASP1 | Descriptor: | LIM and SH3 domain protein 1 | Authors: | Siponen, M.I, Roos, A.K, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-30 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Human SH3 domain of protein LASP1 TO BE PUBLISHED
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8HG3
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![BU of 8hg3 by Molmil](/molmil-images/mine/8hg3) | Cryo-EM structure of the Lhcp complex from Ostreococcus tauri | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one, ... | Authors: | Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z. | Deposit date: | 2022-11-13 | Release date: | 2023-04-26 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers. Elife, 12, 2023
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1SCR
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![BU of 1scr by Molmil](/molmil-images/mine/1scr) | HIGH-RESOLUTION STRUCTURES OF SINGLE-METAL-SUBSTITUTED CONCANAVALIN A: THE CO,CA-PROTEIN AT 1.6 ANGSTROMS AND THE NI,CA-PROTEIN AT 2.0 ANGSTROMS | Descriptor: | CALCIUM ION, CONCANAVALIN A, NICKEL (II) ION | Authors: | Emmerich, C, Helliwell, J.R, Redshaw, M, Naismith, J.H, Harrop, S.J, Raftery, J, Kalb, A.J, Yariv, J, Dauter, Z, Wilson, K.S. | Deposit date: | 1993-12-06 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-resolution structures of single-metal-substituted concanavalin A: the Co,Ca-protein at 1.6 A and the Ni,Ca-protein at 2.0 A. Acta Crystallogr.,Sect.D, 50, 1994
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6EE7
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![BU of 6ee7 by Molmil](/molmil-images/mine/6ee7) | Small tetraheme cytochrome c from Shewanella oneidensis | Descriptor: | HEME C, Periplasmic tetraheme cytochrome c CctA, ZINC ION | Authors: | Huang, J, Zarzycki, J, Ducat, D.C, Kramer, D.M. | Deposit date: | 2018-08-13 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.394 Å) | Cite: | Mesoscopic to Macroscopic Electron Transfer by Hopping in a Crystal Network of Cytochromes. J.Am.Chem.Soc., 142, 2020
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6RIJ
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![BU of 6rij by Molmil](/molmil-images/mine/6rij) | |
5AP6
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![BU of 5ap6 by Molmil](/molmil-images/mine/5ap6) | Naturally Occurring Mutations in the MPS1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DUAL SPECIFICITY PROTEIN KINASE TTK, ... | Authors: | Gurden, M.D, Westwood, I.M, Faisal, A, Naud, S, Cheung, K.M, McAndrew, C, Wood, A, Schmitt, J, Boxall, K, Mak, G, Workman, P, Burke, R, Hoelder, S, Blagg, J, van Montfort, R, Linardopoulos, S. | Deposit date: | 2015-09-14 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Naturally Occurring Mutations in the Mps1 Gene Predispose Cells to Kinase Inhibitor Drug Resistance. Cancer Res., 75, 2015
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8K9X
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![BU of 8k9x by Molmil](/molmil-images/mine/8k9x) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 5 (ADKI5) | Descriptor: | (2~{S})-2,6-bis(azanyl)-~{N}-[3-[2-[[4-[(2,5-dimethoxyphenyl)amino]-1,3,5-triazin-2-yl]amino]phenyl]sulfonylpropyl]hexanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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5ARG
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![BU of 5arg by Molmil](/molmil-images/mine/5arg) | SMYD2 in complex with SGC probe BAY-598 | Descriptor: | GLYCEROL, N-LYSINE METHYLTRANSFERASE SMYD2, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... | Authors: | Hillig, R.C, Badock, V, Barak, N, Stellfeld, T, Eggert, E, ter Laak, A, Weiske, J, Christ, C.D, Koehr, S, Stoeckigt, D, Mowat, J, Mueller, T, Fernandez-Montalvan, A.E, Hartung, I.V, Stresemann, C, Brumby, T, Weinmann, H. | Deposit date: | 2015-09-24 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2. J.Med.Chem., 59, 2016
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8HCN
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![BU of 8hcn by Molmil](/molmil-images/mine/8hcn) | CryoEM Structure of Klebsiella pneumoniae UreD/urease complex | Descriptor: | Urease accessory protein UreD, Urease subunit alpha, Urease subunit beta, ... | Authors: | Nim, Y.S, Fong, I.Y.H, Deme, J, Tsang, K.L, Caesar, J, Johnson, S, Wong, K.B, Lea, S.M. | Deposit date: | 2022-11-02 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Delivering a toxic metal to the active site of urease. Sci Adv, 9, 2023
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8K9V
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![BU of 8k9v by Molmil](/molmil-images/mine/8k9v) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 3 (ADKI3) | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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6LUQ
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![BU of 6luq by Molmil](/molmil-images/mine/6luq) | Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin | Authors: | Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S. | Deposit date: | 2020-01-30 | Release date: | 2020-03-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands. Nat Commun, 11, 2020
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6LPP
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![BU of 6lpp by Molmil](/molmil-images/mine/6lpp) | Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with D-2-hydroxyglutarate (D-2-HG) | Descriptor: | (2R)-2-hydroxypentanedioic acid, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ... | Authors: | Yang, J, Zhu, H, Ding, J. | Deposit date: | 2020-01-12 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations. Cell Discov, 7, 2021
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8K9S
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![BU of 8k9s by Molmil](/molmil-images/mine/8k9s) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 1 (ADKI1) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9U
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![BU of 8k9u by Molmil](/molmil-images/mine/8k9u) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 2 (ADKI2) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, LYSINE, Lysine--tRNA ligase, ... | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8K9W
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![BU of 8k9w by Molmil](/molmil-images/mine/8k9w) | Crystal structure of plasmodium LysRS complexing with ASP3026 derived LysRS inhibitor 4 (ADKI4) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lysine--tRNA ligase, ~{N}2-(2-methoxyphenyl)-~{N}4-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine | Authors: | Zhou, J, Xia, M, Yang, G, Li, P, Fang, P. | Deposit date: | 2023-08-01 | Release date: | 2024-06-26 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-guided conversion from an anaplastic lymphoma kinase inhibitor into Plasmodium lysyl-tRNA synthetase selective inhibitors. Commun Biol, 7, 2024
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8HTX
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![BU of 8htx by Molmil](/molmil-images/mine/8htx) | Crystal structure of BANP in complex with methylated DNA | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*(5CM)P*GP*CP*GP*AP*GP*AP*G)-3'), Protein BANP | Authors: | Zhang, J, Min, J, Liu, K. | Deposit date: | 2022-12-21 | Release date: | 2023-05-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into DNA recognition by the BEN domain of the transcription factor BANP. J.Biol.Chem., 299, 2023
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5BP7
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![BU of 5bp7 by Molmil](/molmil-images/mine/5bp7) | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine | Descriptor: | CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE, SAM-dependent methyltransferase | Authors: | Kutner, J, Shabalin, I.G, Mason, D.V, Handing, K.B, Gasiorowska, O.A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2015-05-27 | Release date: | 2015-06-10 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of SAM-dependent methyltransferase from Geobacter sulfurreducens in complex with S-Adenosyl-L-homocysteine to be published
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4HJR
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![BU of 4hjr by Molmil](/molmil-images/mine/4hjr) | Crystal structure of F2YRS | Descriptor: | Tyrosine-tRNA ligase | Authors: | Wang, J, Tian, C, Gong, W, Li, F, Shi, P, Li, J, Ding, W. | Deposit date: | 2012-10-13 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A genetically encoded 19F NMR probe for tyrosine phosphorylation. Angew.Chem.Int.Ed.Engl., 52, 2013
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7K3J
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![BU of 7k3j by Molmil](/molmil-images/mine/7k3j) | |
7PCJ
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![BU of 7pcj by Molmil](/molmil-images/mine/7pcj) | X-ray structure of CypA-C52AK125C/CsA/aromatic foldamer complex | Descriptor: | 8-azanyl-4-(2-methylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, 8-azanyl-4-oxidanyl-quinoline-2-carboxylic acid, ... | Authors: | Vallade, M, Langlois d'Estaintot, B, Fischer, L, Buratto, J, Savko, M, Huc, I. | Deposit date: | 2021-08-03 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | X-ray structure of a cystein mutant of Cyclophilin A tethered to an aromatic oligoamide foldamer complexed with Cyclosporin A To Be Published
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6LPU
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![BU of 6lpu by Molmil](/molmil-images/mine/6lpu) | Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with L-2-hydroxyglutarate (L-2-HG) | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ... | Authors: | Yang, J, Zhu, H, Ding, J. | Deposit date: | 2020-01-12 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.923 Å) | Cite: | Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations. Cell Discov, 7, 2021
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3IL5
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![BU of 3il5 by Molmil](/molmil-images/mine/3il5) | Structure of E. faecalis FabH in complex with 2-({4-bromo-3-[(diethylamino)sulfonyl]benzoyl}amino)benzoic acid | Descriptor: | 2-({[4-bromo-3-(diethylsulfamoyl)phenyl]carbonyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Gajiwala, K.S, Margosiak, S, Lu, J, Cortez, J, Su, Y, Nie, Z, Appelt, K. | Deposit date: | 2009-08-06 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of bacterial FabH suggest a molecular basis for the substrate specificity of the enzyme. Febs Lett., 583, 2009
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6MDS
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![BU of 6mds by Molmil](/molmil-images/mine/6mds) | Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with complex biantennary glycan | Descriptor: | CALCIUM ION, Endo-beta-N-acetylglucosaminidase, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J. | Deposit date: | 2018-09-05 | Release date: | 2019-02-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2. ACS Cent Sci, 5, 2019
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