6V6N
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![BU of 6v6n by Molmil](/molmil-images/mine/6v6n) | The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens | Descriptor: | Beta-lactamase, FORMIC ACID, GLYCEROL, ... | Authors: | Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-12-05 | Release date: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structure of a class D beta-lactamase from Agrobacterium tumefaciens To Be Published
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5MQY
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![BU of 5mqy by Molmil](/molmil-images/mine/5mqy) | CATHEPSIN L IN COMPLEX WITH 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile, Cathepsin L1 | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-12-21 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors. J. Med. Chem., 60, 2017
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5MR0
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![BU of 5mr0 by Molmil](/molmil-images/mine/5mr0) | Thermophilic archaeal branched-chain amino acid transaminases from Geoglobus acetivorans and Archaeoglobus fulgidus: biochemical and structural characterisation | Descriptor: | 1,2-ETHANEDIOL, 3-[O-PHOSPHONOPYRIDOXYL]--AMINO-BENZOIC ACID, CHLORIDE ION, ... | Authors: | Isupov, M.N, Littlechild, J.A, James, P, Sayer, C, Sutter, J.M, Schmidt, M, Schoenheit, P. | Deposit date: | 2016-12-21 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Thermostable Branched-Chain Amino Acid Transaminases From the ArchaeaGeoglobus acetivoransandArchaeoglobus fulgidus: Biochemical and Structural Characterization. Front Bioeng Biotechnol, 7, 2019
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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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6V83
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![BU of 6v83 by Molmil](/molmil-images/mine/6v83) | Crystal structure of CTX-M-14 E166A/P167S/D240G beta-lactamase in complex with ceftazidime-1 | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2019-12-10 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance. J.Biol.Chem., 295, 2020
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4XNB
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![BU of 4xnb by Molmil](/molmil-images/mine/4xnb) | |
8F37
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![BU of 8f37 by Molmil](/molmil-images/mine/8f37) | |
6Y16
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![BU of 6y16 by Molmil](/molmil-images/mine/6y16) | CRYSTAL STRUCTURE OF TMARGBP DOMAIN 1 IN COMPLEX WITH THE GUANIDINIUM ION | Descriptor: | 1,2-ETHANEDIOL, Amino acid ABC transporter, periplasmic amino acid-binding protein,Amino acid ABC transporter, ... | Authors: | Ruggiero, A, Balasco, N, Smaldone, G, Graziano, G, Vitagliano, L. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Guanidinium binding to proteins: The intriguing effects on the D1 and D2 domains of Thermotoga maritima Arginine Binding Protein and a comprehensive analysis of the Protein Data Bank. Int.J.Biol.Macromol., 163, 2020
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6VGF
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![BU of 6vgf by Molmil](/molmil-images/mine/6vgf) | Peanut lectin complexed with divalent S-beta-D-thiogalactopyranosyl beta-D-glucopyranoside derivative (diSTGD) | Descriptor: | (2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol, CALCIUM ION, Galactose-binding lectin, ... | Authors: | Otero, L.H, Primo, E.D, Cagnoni, A.J, Cano, M.E, Klinke, S, Goldbaum, F.A, Uhrig, M.L. | Deposit date: | 2020-01-08 | Release date: | 2020-10-28 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of peanut lectin in the presence of synthetic beta-N- and beta-S-galactosides disclose evidence for the recognition of different glycomimetic ligands. Acta Crystallogr D Struct Biol, 76, 2020
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5M7K
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![BU of 5m7k by Molmil](/molmil-images/mine/5m7k) | Blastochloris viridis photosynthetic reaction center - RC_vir_xfel | Descriptor: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | Authors: | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | Deposit date: | 2016-10-28 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Asymmetry in serial femtosecond crystallography data. Acta Crystallogr A Found Adv, 73, 2017
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7T3X
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![BU of 7t3x by Molmil](/molmil-images/mine/7t3x) | Structure of unphosphorylated Pediculus humanus (Ph) PINK1 D334A mutant | Descriptor: | Serine/threonine-protein kinase PINK1 | Authors: | Gan, Z.Y, Leis, A, Dewson, G, Glukhova, A, Komander, D. | Deposit date: | 2021-12-09 | Release date: | 2021-12-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | Activation mechanism of PINK1. Nature, 602, 2022
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6PAS
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![BU of 6pas by Molmil](/molmil-images/mine/6pas) | Inactive State of Manduca sexta soluble guanylate cyclase | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Soluble guanylyl cyclase alpha-1 subunit, Soluble guanylyl cyclase beta-1 subunit | Authors: | Yokom, A.L, Horst, B.G, Marletta, M.A, Hurley, J.H. | Deposit date: | 2019-06-11 | Release date: | 2019-10-23 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (5.1 Å) | Cite: | Allosteric activation of the nitric oxide receptor soluble guanylate cyclase mapped by cryo-electron microscopy. Elife, 8, 2019
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8EQ5
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![BU of 8eq5 by Molmil](/molmil-images/mine/8eq5) | Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160) | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Ribosomal protein S6 kinase alpha-3, Sprouty-related, ... | Authors: | Bonsor, D.A, Lopez, J, McCormick, F, Simanshu, D.K. | Deposit date: | 2022-10-07 | Release date: | 2023-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The ribosomal S6 kinase 2 (RSK2)-SPRED2 complex regulates the phosphorylation of RSK substrates and MAPK signaling. J.Biol.Chem., 299, 2023
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5MWO
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![BU of 5mwo by Molmil](/molmil-images/mine/5mwo) | Structure of Mycobacterium Tuberculosis Transcriptional Regulatory Repressor Protein (EthR) in complex with fragment 7E8. | Descriptor: | (5-methyl-1-benzothiophen-2-yl)methanol, 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR | Authors: | Mendes, V, Chan, D.S.-H, Thomas, S.E, McConnell, B, Matak-Vinkovic, D, Coyne, A.G, Abell, C, Blundell, T.L. | Deposit date: | 2017-01-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.962 Å) | Cite: | Fragment Screening against the EthR-DNA Interaction by Native Mass Spectrometry. Angew. Chem. Int. Ed. Engl., 56, 2017
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6SCD
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![BU of 6scd by Molmil](/molmil-images/mine/6scd) | Polyester hydrolase PE-H Y250S mutant of Pseudomonas aestusnigri | Descriptor: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bollinger, A, Thies, S, Kobus, S, Hoeppner, A, Smits, S.H.J, Jaeger, K.-E. | Deposit date: | 2019-07-24 | Release date: | 2020-02-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A Novel Polyester Hydrolase From the Marine BacteriumPseudomonas aestusnigri -Structural and Functional Insights. Front Microbiol, 11, 2020
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6Y9S
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![BU of 6y9s by Molmil](/molmil-images/mine/6y9s) | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | Descriptor: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | Deposit date: | 2020-03-10 | Release date: | 2020-05-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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8ERM
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![BU of 8erm by Molmil](/molmil-images/mine/8erm) | Crystal structure of FliC D2/D3 domains from Pseudomonas aeruginosa PAO1 | Descriptor: | B-type flagellin, GLYCEROL, SULFATE ION | Authors: | Nedeljkovic, M, Bonsor, D.A, Postel, S, Sundberg, E.J. | Deposit date: | 2022-10-12 | Release date: | 2023-05-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.475 Å) | Cite: | An unbroken network of interactions connecting flagellin domains is required for motility in viscous environments. Plos Pathog., 19, 2023
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6VCK
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![BU of 6vck by Molmil](/molmil-images/mine/6vck) | Crystal structure of E.coli RppH-DapF in complex with GDP, Mg2+ and F- | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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6VCP
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![BU of 6vcp by Molmil](/molmil-images/mine/6vcp) | Crystal structure of E.coli RppH in complex with UTP | Descriptor: | RNA pyrophosphohydrolase, URIDINE 5'-TRIPHOSPHATE | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | Deposit date: | 2019-12-21 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH. Nucleic Acids Res., 48, 2020
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5GAG
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![BU of 5gag by Molmil](/molmil-images/mine/5gag) | RNC in complex with SRP-SR in the closed state | Descriptor: | 1A9L SS, 23S rRNA, 50S ribosomal protein L10, ... | Authors: | Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N. | Deposit date: | 2015-11-26 | Release date: | 2016-01-27 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon. Nat Commun, 7, 2016
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6YJC
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![BU of 6yjc by Molmil](/molmil-images/mine/6yjc) | Crystal structure of p38alpha in complex with SR154 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | Authors: | Joerger, A.C, Schroeder, M, Roehm, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-02 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74100935 Å) | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK. Eur.J.Med.Chem., 208, 2020
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7N2Z
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![BU of 7n2z by Molmil](/molmil-images/mine/7n2z) | Crystal Structure of a de Novo Three-stranded Coiled Coil Peptide Containing Trigonal Pyrmidal Pb(II) complexes in the dual Tris-thiolate Site | Descriptor: | CHLORIDE ION, LEAD (II) ION, Pb(II)2-(GRAND CoilSerL16CL23C)3, ... | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2021-05-30 | Release date: | 2022-06-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Open Reading Frame 1 Protein of the Human Long Interspersed Nuclear Element 1 Retrotransposon Binds Multiple Equivalents of Lead. J.Am.Chem.Soc., 143, 2021
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6FBE
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![BU of 6fbe by Molmil](/molmil-images/mine/6fbe) | KlenTaq DNA polymerase processing a modified primer - bearing the modification upstream at the third primer nucleotide. | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, DNA (5'-D(*AP*AP*AP*CP*GP*GP*GP*TP*GP*CP*GP*TP*GP*GP*TP*C)-3'), ... | Authors: | Kropp, H.M, Diederichs, K, Marx, A. | Deposit date: | 2017-12-19 | Release date: | 2018-09-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.589 Å) | Cite: | Snapshots of a modified nucleotide moving through the confines of a DNA polymerase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6V5D
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![BU of 6v5d by Molmil](/molmil-images/mine/6v5d) | EROS3 RDC and NOE Derived Ubiquitin Ensemble | Descriptor: | Ubiquitin | Authors: | Lange, O.F, Lakomek, N.A, Smith, C.A, Griesinger, C, de Groot, B.L. | Deposit date: | 2019-12-04 | Release date: | 2020-01-01 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Enhancing NMR derived ensembles with kinetics on multiple timescales. J.Biomol.Nmr, 74, 2020
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6YDX
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![BU of 6ydx by Molmil](/molmil-images/mine/6ydx) | Insulin-regulated aminopeptidase complexed with a macrocyclic peptidic inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[2-[[[(4~{R},8~{S},11~{S})-11-azanyl-8-[(4-hydroxyphenyl)methyl]-6,10-bis(oxidanylidene)-1,2-dithia-5,9-diazacyclotridec-4-yl]carbonylamino]methyl]phenyl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mpakali, A, Saridakis, E, Giastas, P, Stratikos, E. | Deposit date: | 2020-03-21 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural Basis of Inhibition of Insulin-Regulated Aminopeptidase by a Macrocyclic Peptidic Inhibitor. Acs Med.Chem.Lett., 11, 2020
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