6S4H
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![BU of 6s4h by Molmil](/molmil-images/mine/6s4h) | The crystal structure of glycogen phosphorylase in complex with 8 | Descriptor: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-28 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6S52
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![BU of 6s52 by Molmil](/molmil-images/mine/6s52) | The crystal structure of glycogen phosphorylase in complex with 14 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Solovou, T.G.A, Papaioannou, O.S.E, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2019-06-29 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | The architecture of hydrogen and sulfur sigma-hole interactions explain differences in the inhibitory potency of C-beta-d-glucopyranosyl thiazoles, imidazoles and an N-beta-d glucopyranosyl tetrazole for human liver glycogen phosphorylase and offer new insights to structure-based design. Bioorg.Med.Chem., 28, 2020
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6DRW
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2PKS
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![BU of 2pks by Molmil](/molmil-images/mine/2pks) | Thrombin in complex with inhibitor | Descriptor: | 4-({[4-(3-METHYLBENZOYL)PYRIDIN-2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE, Hirudin, SODIUM ION, ... | Authors: | Xue, Y. | Deposit date: | 2007-04-18 | Release date: | 2008-04-22 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Design, synthesis and biological evaluation of thrombin inhibitors based on a pyridine scaffold. Org.Biomol.Chem., 5, 2007
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6CF8
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8IYD
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![BU of 8iyd by Molmil](/molmil-images/mine/8iyd) | Tail cap of phage lambda tail | Descriptor: | Tail tube protein, Tail tube terminator protein | Authors: | Wang, J.W, Wang, C. | Deposit date: | 2023-04-04 | Release date: | 2023-10-18 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Architecture of the bacteriophage lambda tail. Structure, 32, 2024
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1ZH9
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![BU of 1zh9 by Molmil](/molmil-images/mine/1zh9) | carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE, Carbonic anhydrase II, ... | Authors: | Honndorf, V.S, Heine, A, Klebe, G, Supuran, C.T. | Deposit date: | 2005-04-23 | Release date: | 2006-05-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | carbonic anhydrase II in complex with N-4-Methyl-1-piperazinyl-N'-(p-sulfonamide)phenylthiourea as sulfonamide inhibitor To be Published
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8IYK
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![BU of 8iyk by Molmil](/molmil-images/mine/8iyk) | Tail tip conformation 1 of phage lambda tail | Descriptor: | IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ... | Authors: | Wang, J.W, Wang, C. | Deposit date: | 2023-04-05 | Release date: | 2023-10-18 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Architecture of the bacteriophage lambda tail. Structure, 32, 2024
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7JWN
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![BU of 7jwn by Molmil](/molmil-images/mine/7jwn) | Crystal structure of Human Serum Albumin in complex with ketoprofen | Descriptor: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, (R)-Ketoprofen, 1,2-ETHANEDIOL, ... | Authors: | Czub, M.P, Shabalin, I.G, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-08-25 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Organism-specific differences in the binding of ketoprofen to serum albumin. Iucrj, 9, 2022
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4YHK
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![BU of 4yhk by Molmil](/molmil-images/mine/4yhk) | Reversal Agent for Dabigatran | Descriptor: | GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, aDabi-Fab2a heavy chain, ... | Authors: | Schiele, F, Nar, H. | Deposit date: | 2015-02-27 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structure-guided residence time optimization of a dabigatran reversal agent. Mabs, 7, 2015
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8UCR
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8IYL
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![BU of 8iyl by Molmil](/molmil-images/mine/8iyl) | Tail tip conformation 2 of phage lambda tail | Descriptor: | IRON/SULFUR CLUSTER, Tail tip assembly protein I, Tail tip protein L, ... | Authors: | Wang, J.W, Wang, C. | Deposit date: | 2023-04-05 | Release date: | 2023-10-18 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Architecture of the bacteriophage lambda tail. Structure, 32, 2024
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7BVW
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![BU of 7bvw by Molmil](/molmil-images/mine/7bvw) | Crystal structure of the RING-H2 domain of Arabidopsis RMR1 | Descriptor: | AT5G66160 protein, SODIUM ION, ZINC ION | Authors: | Chen, S, Wong, K.B. | Deposit date: | 2020-04-12 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The RING-finger of AtRMR1 (Arabidopsis receptor-homology-transmembrane-RING-H2 sorting receptor 1) is an E3 ligase that mediate its trafficking To Be Published
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8UEJ
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![BU of 8uej by Molmil](/molmil-images/mine/8uej) | ssRNA phage PhiCb5 virion | Descriptor: | CALCIUM ION, Coat protein, Maturation protein | Authors: | Wang, Y, Zhang, J. | Deposit date: | 2023-10-01 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural mechanisms of Tad pilus assembly and its interaction with an RNA virus. Sci Adv, 10, 2024
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8U2B
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2PM1
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![BU of 2pm1 by Molmil](/molmil-images/mine/2pm1) | |
8E32
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![BU of 8e32 by Molmil](/molmil-images/mine/8e32) | E. coli 50S ribosome bound to compound streptogramin analogs SA1 and SB1 | Descriptor: | (3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-yn-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2022-08-16 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Potential for clicked streptogramin analogs To Be Published
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8E36
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![BU of 8e36 by Molmil](/molmil-images/mine/8e36) | E. coli 50S ribosome bound to compound streptogramin A analog 3146 | Descriptor: | 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2022-08-16 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.38 Å) | Cite: | Potential for clicked streptogramin analogs To Be Published
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8E30
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![BU of 8e30 by Molmil](/molmil-images/mine/8e30) | E. coli 50S ribosome bound to compound streptogramin A analog 3142 | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2022-08-16 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (1.91 Å) | Cite: | Potential for clicked streptogramin analogs To Be Published
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8E35
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![BU of 8e35 by Molmil](/molmil-images/mine/8e35) | E. coli 50S ribosome bound to compound SAB002 | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2022-08-16 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.27 Å) | Cite: | Potential for clicked streptogramin analogs To Be Published
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6G9C
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![BU of 6g9c by Molmil](/molmil-images/mine/6g9c) | Crystal structure of immunomodulatory active chitinase from Trichuris suis, TsES1 | Descriptor: | 1,2-ETHANEDIOL, Immunomodulatory active chitinase | Authors: | Malecki, P.H, Balster, K, Hartmann, S, Weiss, M.S, Heinemann, U. | Deposit date: | 2018-04-10 | Release date: | 2019-04-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A Helminth-Derived Chitinase Structurally Similar to Mammalian Chitinase Displays Immunomodulatory Properties in Inflammatory Lung Disease. J Immunol Res, 2021, 2021
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8E43
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![BU of 8e43 by Molmil](/molmil-images/mine/8e43) | E. coli 50S ribosome bound to compound streptogramin A analog 3336 | Descriptor: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | Authors: | Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S. | Deposit date: | 2022-08-17 | Release date: | 2023-06-28 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.09 Å) | Cite: | Streptogramin A analogs To Be Published
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8E33
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![BU of 8e33 by Molmil](/molmil-images/mine/8e33) | E. coli 50S ribosome bound to compound streptogramin analog SAB001 | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L15, ... | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | Deposit date: | 2022-08-16 | Release date: | 2023-06-28 | Method: | ELECTRON MICROSCOPY (2.23 Å) | Cite: | Potential for clicked streptogramin analogs To Be Published
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8URN
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![BU of 8urn by Molmil](/molmil-images/mine/8urn) | Crystal structure of EscI(51-87)-linker-EtgA(18-152) fusion protein | Descriptor: | EscI inner rod protein type III secretion system,EtgA protein, SULFATE ION | Authors: | van den Akker, F. | Deposit date: | 2023-10-26 | Release date: | 2024-02-14 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural insights into peptidoglycan glycosidase EtgA binding to the inner rod protein EscI of the type III secretion system via a designed EscI-EtgA fusion protein. Protein Sci., 33, 2024
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3BAZ
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![BU of 3baz by Molmil](/molmil-images/mine/3baz) | Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ | Descriptor: | Hydroxyphenylpyruvate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Janiak, V, Klebe, G, Petersen, M, Heine, A. | Deposit date: | 2007-11-09 | Release date: | 2008-11-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and substrate docking of a hydroxy(phenyl)pyruvate reductase from the higher plant Coleus blumei Benth Acta Crystallogr.,Sect.D, 66, 2010
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