6N4K
 
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6O4F
 
 | Structure of ALDH7A1 mutant N167S complexed with alpha-aminoadipate | Descriptor: | 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | Deposit date: | 2019-02-28 | Release date: | 2019-07-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical consequences of pyridoxine-dependent epilepsy mutations that target the aldehyde binding site of aldehyde dehydrogenase ALDH7A1. Febs J., 287, 2020
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8X6Z
 
 | 1-naphthylamine GS from Pseudomonas sp. JS3066 | Descriptor: | Glutamine synthetase, MANGANESE (II) ION | Authors: | Zhou, N.Y, Zhang, S.T. | Deposit date: | 2023-11-22 | Release date: | 2024-01-03 | Last modified: | 2025-01-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Discovery of the 1-naphthylamine biodegradation pathway reveals a broad-substrate-spectrum enzyme catalyzing 1-naphthylamine glutamylation. Elife, 13, 2024
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8EVE
 
 | HUMAN DNA POLYMERASE ETA INSERTION COMPLEX | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2022-10-20 | Release date: | 2023-08-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The peroxidation-derived DNA adduct, 6-oxo-M 1 dG, is a strong block to replication by human DNA polymerase eta. J.Biol.Chem., 299, 2023
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5YEQ
 
 | The structure of Sac-KARI protein | Descriptor: | 1,2-ETHANEDIOL, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | Authors: | Ko, T.P, Chen, C.Y, Lin, K.F, Lin, B.L, Huang, C.H, Chiang, C.H, Horng, J.C, Tsai, M.D. | Deposit date: | 2017-09-19 | Release date: | 2018-07-04 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | NADH/NADPH bi-cofactor-utilizing and thermoactive ketol-acid reductoisomerase from Sulfolobus acidocaldarius Sci Rep, 8, 2018
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4XRX
 
 | Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one | Descriptor: | 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y. | Deposit date: | 2015-01-21 | Release date: | 2015-12-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds. J.Med.Chem., 58, 2015
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6XMY
 
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9AYI
 
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6RT1
 
 | Native tetragonal lysozyme - home source data | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Pereira, P.J.B. | Deposit date: | 2019-05-22 | Release date: | 2019-05-29 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.336 Å) | Cite: | Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions. Phys Chem Chem Phys, 22, 2020
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5ZJP
 
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5MQG
 
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5C5W
 
 | 1.25 A resolution structure of an RNA 20-mer | Descriptor: | RNA (5'-R(P*CP*CP*UP*GP*AP*GP*UP*UP*CP*AP*AP*UP*UP*CP*UP*AP*GP*CP*G)-3') | Authors: | Stewart, M, Valkov, E. | Deposit date: | 2015-06-22 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 1.25 angstrom resolution structure of an RNA 20-mer that binds to the TREX2 complex. Acta Crystallogr.,Sect.F, 71, 2015
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6PXO
 
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8THM
 
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6NJ7
 
 | 11-BETA DEHYDROGENASE ISOZYME 1 IN COMPLEX WITH COLLETOIC ACID | Descriptor: | (1S,4S,5S,9S)-9-hydroxy-8-methyl-4-(propan-2-yl)spiro[4.5]dec-7-ene-1-carboxylic acid, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Miller, D.J, Rivas, F. | Deposit date: | 2019-01-02 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Mechanistic Insight on the Mode of Action of Colletoic Acid. J.Med.Chem., 62, 2019
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4WES
 
 | Nitrogenase molybdenum-iron protein from Clostridium pasteurianum at 1.08 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (II) ION, ... | Authors: | Zhang, L.M, Morrison, C.N, Kaiser, J.T, Rees, D.C. | Deposit date: | 2014-09-10 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Nitrogenase MoFe protein from Clostridium pasteurianum at 1.08 angstrom resolution: comparison with the Azotobacter vinelandii MoFe protein. Acta Crystallogr.,Sect.D, 71, 2015
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7R0P
 
 | CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Lactaldehyde reductase, ... | Authors: | Shruthi, S, Tiila, R.K, Rikkert, W, Mikael, W. | Deposit date: | 2022-02-02 | Release date: | 2022-10-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics. Febs J., 290, 2023
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6NUB
 
 | Pyruvate Kinase M2 Mutant - S437Y in Complex with L-serine | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Srivastava, D, Nandi, S, Dey, M. | Deposit date: | 2019-01-31 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2. Biochemistry, 58, 2019
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8QG5
 
 | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynyl-methyl-amino]methyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | Authors: | Gelin, M, Labesse, G, Lionne, C. | Deposit date: | 2023-09-05 | Release date: | 2025-03-19 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative To be published
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8QG6
 
 | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[3-[6-azanyl-9-(phenylmethyl)purin-8-yl]prop-2-ynoxymethyl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | Authors: | Gelin, M, Labesse, G, Lionne, C. | Deposit date: | 2023-09-05 | Release date: | 2025-03-19 | Method: | X-RAY DIFFRACTION (2.142 Å) | Cite: | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative To be published
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8RF2
 
 | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 1E7 refined against the anomalous diffraction data | Descriptor: | 1-benzothiophen-5-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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6QDY
 
 | The crystal structure of Sporosarcina pasteurii urease in complex with its substrate urea | Descriptor: | 1,2-ETHANEDIOL, FLUORIDE ION, NICKEL (II) ION, ... | Authors: | Mazzei, L, Cianci, M, Benini, S, Ciurli, S. | Deposit date: | 2019-01-03 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.416 Å) | Cite: | The Structure of the Elusive Urease-Urea Complex Unveils the Mechanism of a Paradigmatic Nickel-Dependent Enzyme. Angew.Chem.Int.Ed.Engl., 58, 2019
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8RFF
 
 | Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 6A6 refined against the anomalous diffraction data | Descriptor: | 1,3-benzothiazol-2-amine, Host translation inhibitor nsp1 | Authors: | Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F. | Deposit date: | 2023-12-12 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms. Acta Crystallogr D Struct Biol, 80, 2024
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6NU5
 
 | Pyruvate Kinase M2 Mutant - S437Y in Complex with L-cysteine | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CYSTEINE, ... | Authors: | Srivastava, D, Nandi, S, Dey, M. | Deposit date: | 2019-01-30 | Release date: | 2019-08-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mechanistic and Structural Insights into Cysteine-Mediated Inhibition of Pyruvate Kinase Muscle Isoform 2. Biochemistry, 58, 2019
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8F8Y
 
 | PHF2 (PHD+JMJ) in Complex with VRK1 N-Terminal Peptide | Descriptor: | 1,2-ETHANEDIOL, Lysine-specific demethylase PHF2, SULFATE ION, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2022-11-22 | Release date: | 2023-01-18 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A complete methyl-lysine binding aromatic cage constructed by two domains of PHF2. J.Biol.Chem., 299, 2022
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