7O0W
| Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0X
| Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-28 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0U
| Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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7O0V
| Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A | Descriptor: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | Authors: | Qian, P, Koblizek, M. | Deposit date: | 2021-03-27 | Release date: | 2022-03-02 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem. Sci Adv, 8, 2022
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5JCA
| NADP(H) bound NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-14 | Release date: | 2017-04-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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5JFC
| NADH-dependent Ferredoxin:NADP Oxidoreductase (NfnI) from Pyrococcus furiosus | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, ... | Authors: | Zadvornyy, O.A, Schut, G.J, Nguyen, D.M, Artz, J.H, Tokmina-Lukaszewska, M, Lipscomb, G, King, P.W, Adams, M.W, Peters, J.W. | Deposit date: | 2016-04-19 | Release date: | 2017-04-12 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Mechanistic insights into energy conservation by flavin-based electron bifurcation. Nat. Chem. Biol., 13, 2017
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2ZFU
| Structure of the methyltransferase-like domain of nucleomethylin | Descriptor: | Cerebral protein 1, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Minami, H, Hashimoto, H, Murayama, A, Yanagisawa, J, Sato, M, Shimizu, T. | Deposit date: | 2008-01-14 | Release date: | 2008-12-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Epigenetic control of rDNA loci in response to intracellular energy status Cell(Cambridge,Mass.), 133, 2008
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7O4X
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7YPN
| Crystal structure of transaminase CC1012 mutant M9 complexed with PLP | Descriptor: | 1,2-ETHANEDIOL, Aspartate aminotransferase family protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yang, L, Wang, H, Wei, D. | Deposit date: | 2022-08-03 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.049 Å) | Cite: | Mechanism-Guided Computational Design of omega-Transaminase by Reprograming of High-Energy-Barrier Steps. Angew.Chem.Int.Ed.Engl., 61, 2022
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7YPM
| Crystal structure of transaminase CC1012 complexed with PLP and L-alanine | Descriptor: | 1,2-ETHANEDIOL, ALANINE, Aspartate aminotransferase family protein, ... | Authors: | Yang, L, Wang, H, Wei, D. | Deposit date: | 2022-08-03 | Release date: | 2023-05-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.984 Å) | Cite: | Mechanism-Guided Computational Design of omega-Transaminase by Reprograming of High-Energy-Barrier Steps. Angew.Chem.Int.Ed.Engl., 61, 2022
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6MRG
| FAAH bound to non covalent inhibitor | Descriptor: | (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol, Fatty-acid amide hydrolase 1 | Authors: | Saha, A, Shih, A, Mirzadegan, T, Seierstad, M. | Deposit date: | 2018-10-12 | Release date: | 2018-10-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation. J Chem Theory Comput, 14, 2018
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2RIK
| I-band fragment I67-I69 from titin | Descriptor: | Titin | Authors: | Marino, M, von Castelmur, E, Labeit, D, Labeit, S, Mayans, O. | Deposit date: | 2007-10-11 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A regular pattern of Ig super-motifs defines segmental flexibility as the elastic mechanism of the titin chain Proc.Natl.Acad.Sci.Usa, 105, 2008
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2RJM
| 3Ig structure of titin domains I67-I69 E-to-A mutated variant | Descriptor: | Titin | Authors: | von Castelmur, E, Marino, M, Labeit, D, Labeit, S, Mayans, O. | Deposit date: | 2007-10-15 | Release date: | 2008-01-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A regular pattern of Ig super-motifs defines segmental flexibility as the elastic mechanism of the titin chain Proc.Natl.Acad.Sci.Usa, 105, 2008
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4V7A
| E. coli 70S-fMetVal-tRNAVal post-translocation complex (post4) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Blau, C, Bock, L.V, Schroder, G.F, Davydov, I, Fischer, N, Stark, H, Rodnina, M.V, Vaiana, A.C, Grubmuller, H. | Deposit date: | 2013-10-14 | Release date: | 2014-07-09 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Energy barriers and driving forces in tRNA translocation through the ribosome. Nat.Struct.Mol.Biol., 20, 2013
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5WFL
| Kelch domain of human Keap1 in open unliganded conformation | Descriptor: | Kelch-like ECH-associated protein 1, SULFATE ION | Authors: | Carolan, J.P, Lynch, A.J, Allen, K.N. | Deposit date: | 2017-07-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2). Biochemistry, 59, 2020
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8Q4H
| a membrane-bound menaquinol:organohalide oxidoreductase complex RDH complex | Descriptor: | (~{Z})-1,2-bis(chloranyl)ethene, CO-METHYLCOBALAMIN, IRON/SULFUR CLUSTER, ... | Authors: | Dongchun, N, Ekundayo, B, Henning, S, Julien, M, Holliger, C, Cimmino, L. | Deposit date: | 2023-08-07 | Release date: | 2023-10-18 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Structure of a membrane-bound menaquinol:organohalide oxidoreductase. Nat Commun, 14, 2023
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2C4K
| Crystal structure of human phosphoribosylpyrophosphate synthetase- associated protein 39 (PAP39) | Descriptor: | PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 1, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Kursula, P, Stenmark, P, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Ogg, D, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2005-10-20 | Release date: | 2005-10-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal Structure of Human Phosphoribosylpyrophosphate Synthetase-Associated Protein 39 (Pap39) To be Published
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8Q3V
| Cryo-EM structure of the methanogenic Na+ translocating N5-methyl-H4MPT:CoM methyltransferase complex | Descriptor: | MAGNESIUM ION, SODIUM ION, Tetrahydromethanopterin S-methyltransferase subunit A 1, ... | Authors: | Aziz, I, Vonck, J, Ermler, U. | Deposit date: | 2023-08-04 | Release date: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Structural and mechanistic basis of the central energy-converting methyltransferase complex of methanogenesis. Proc.Natl.Acad.Sci.USA, 121, 2024
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5WLV
| Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | Descriptor: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | Deposit date: | 2017-07-27 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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2ROT
| Structure of chimeric variant of SH3 domain- SHH | Descriptor: | Spectrin alpha chain, brain | Authors: | Kutyshenko, N.P, Prokhorov, D.A, Timchenko, M.A, Kudrevatykh, Y.A, Gushchina, L.V, Khristoforov, V.S, Filimonov, V.V. | Deposit date: | 2008-04-10 | Release date: | 2009-04-28 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure and dynamics of the chimeric SH3 domains, SHH- and SHA-"Bergeracs". Biochim.Biophys.Acta, 1794, 2009
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3COG
| Crystal structure of human cystathionase (Cystathionine gamma lyase) in complex with DL-propargylglycine | Descriptor: | (2S)-2-aminopent-4-enoic acid, Cystathionine gamma-lyase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Collins, R, Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Schuler, H, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Sagermark, J, Busam, R.D, Welin, M, Weigelt, J, Wikstrom, M, Structural Genomics Consortium (SGC) | Deposit date: | 2008-03-28 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the inhibition mechanism of human cystathionine gamma-lyase, an enzyme responsible for the production of H(2)S. J.Biol.Chem., 284, 2009
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6KBO
| Three-dimensional LPS bound structure of VG16KRKP-KYE28. | Descriptor: | Heparin cofactor 2, VG16KRKP | Authors: | Ilyas, H, Bhunia, A. | Deposit date: | 2019-06-26 | Release date: | 2019-08-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights into the combinatorial effects of antimicrobial peptides reveal a role of aromatic-aromatic interactions in antibacterial synergism. J.Biol.Chem., 294, 2019
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6KBV
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8FIR
| Crystal structure of TpPta, a phosphotransacetylase from Treponema pallidum | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Phosphate acetyltransferase | Authors: | Brautigam, C.A, Norgard, M.V, Deka, R.K. | Deposit date: | 2022-12-16 | Release date: | 2023-05-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Biophysical and biochemical studies support TP0094 as a phosphotransacetylase in an acetogenic energy-conservation pathway in Treponema pallidum. Plos One, 18, 2023
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1MQV
| Crystal Structure of the Q1A/F32W/W72F mutant of Rhodopseudomonas palustris cytochrome c' (prime) expressed in E. coli | Descriptor: | CYTOCHROME C', HEME C | Authors: | Lee, J.C, Engman, K.C, Tezcan, F.A, Gray, H.B, Winkler, J.R. | Deposit date: | 2002-09-17 | Release date: | 2002-11-20 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural Features of Cytochrome c' Folding Intermediates Revealed by Fluorescence Energy-Transfer Kinetics Proc.Natl.Acad.Sci.USA, 99, 2002
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