2UXQ
 
 | | Isocitrate dehydrogenase from the psychrophilic bacterium Desulfotalea psychrophila: biochemical properties and crystal structure analysis | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, ISOCITRATE DEHYDROGENASE NATIVE, ... | | Authors: | Fedoy, A.-E, Yang, N, Martinez, A, Leiros, H.-K.S, Steen, I.H. | | Deposit date: | 2007-03-29 | | Release date: | 2008-02-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and Functional Properties of Isocitrate Dehydrogenase from the Psychrophilic Bacterium Desulfotalea Psychrophila Reveal a Cold -Active Enzyme with an Unusual High Thermal
J.Mol.Biol., 372, 2007
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2V28
 | | Apo structure of the cold active phenylalanine hydroxylase from Colwellia psychrerythraea 34H | | Descriptor: | PHENYLALANINE-4-HYDROXYLASE, SULFATE ION | | Authors: | Leiros, H.-K.S, Pey, A.L, Innselset, M, Moe, E, Leiros, I, Steen, I.H, Martinez, A. | | Deposit date: | 2007-06-04 | | Release date: | 2007-06-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of Phenylalanine Hydroxylase from Colwellia Psychrerythraea 34H, a Monomeric Cold Active Enzyme with Local Flexibility Around the Active Site and High Overall Stability.
J.Biol.Chem., 282, 2007
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4BPT
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6ZM0
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6ZLV
 | | MreC | | Descriptor: | Rod shape-determining protein MreC | | Authors: | Estrozi, L.F, Contreras-Martel, C. | | Deposit date: | 2020-07-01 | | Release date: | 2021-03-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Self-association of MreC as a regulatory signal in bacterial cell wall elongation.
Nat Commun, 12, 2021
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4DVH
 | | Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase | | Descriptor: | FE (III) ION, Superoxide dismutase | | Authors: | Larrieux, N, Buschiazzo, A. | | Deposit date: | 2012-02-23 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER.
J.Biol.Chem., 289, 2014
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6QI4
 | | NCS-1 bound to a ligand | | Descriptor: | 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ... | | Authors: | Sanchez-Barrena, M.J, Blanco-Gabella, P. | | Deposit date: | 2019-01-17 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
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8AXH
 | | Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Mucin-1 subunit alpha, ... | | Authors: | Bermejo, I, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2022-08-31 | | Release date: | 2023-08-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses.
Jacs Au, 4, 2024
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7QHW
 | | TTBK1 kinase domain in complex with inhibitor 29 | | Descriptor: | GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ... | | Authors: | Nozal, V, Liehta, D. | | Deposit date: | 2021-12-14 | | Release date: | 2022-10-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
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4ETC
 | | Lysozyme, room temperature, 24 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETA
 | | Lysozyme, room temperature, 400 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETB
 | | lysozyme, room temperature, 200 kGy dose | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.908 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ET8
 | | Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETE
 | | Lysozyme, room-temperature, rotating anode, 0.0021 MGy | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ET9
 | | Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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4ETD
 | | Lysozyme, room-temperature, rotating anode, 0.0026 MGy | | Descriptor: | CHLORIDE ION, Lysozyme C | | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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2L7S
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6NZV
 | | Crystal structure of HCV NS3/4A protease in complex with compound 12 | | Descriptor: | (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-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]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ... | | Authors: | Appleby, T.C, Taylor, J.G. | | Deposit date: | 2019-02-14 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
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8VW5
 | | Crystal structure of Cbl-b TKB bound to compound 2 | | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | | Authors: | Yu, C, Murray, J, Hsu, P.L. | | Deposit date: | 2024-01-31 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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8VW4
 | | Crystal structure of Cbl-b TKB bound to compound 26 | | Descriptor: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | | Authors: | Yu, C, Murray, J, Hsu, P.L. | | Deposit date: | 2024-01-31 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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5CPR
 | | The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity | | Descriptor: | 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ... | | Authors: | Jakob, C.G, Upadhyay, A.K, Sun, C. | | Deposit date: | 2015-07-21 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
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8TTQ
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2WON
 | | Crystal Structure of UK-453061 bound to HIV-1 Reverse Transcriptase (wild-type). | | Descriptor: | 5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Phillips, C, Irving, S.L, Knoechel, T, Ringrose, H. | | Deposit date: | 2009-07-27 | | Release date: | 2010-08-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lersivirine: A Non-Nucleoside Reverse Transcriptase Inhibitor with Activity Against Drug- Resistant Human Immunodeficiency Virus-1.
Antimicrob.Agents Chemother., 54, 2010
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8U0V
 | | S. cerevisiae Pex1/Pex6 with 1 mM ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Peroxisomal ATPase PEX1, Peroxisomal ATPase PEX6 | | Authors: | Gardner, B.M. | | Deposit date: | 2023-08-29 | | Release date: | 2023-12-13 | | Last modified: | 2024-01-10 | | Method: | ELECTRON MICROSCOPY (3.89 Å) | | Cite: | The N1 domain of the peroxisomal AAA-ATPase Pex6 is required for Pex15 binding and proper assembly with Pex1.
J.Biol.Chem., 300, 2023
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6SRJ
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