6Y2J
 
 | | Crystal structure of M. tuberculosis KasA in complex with 4,4,4-trifluoro-N-(isoquinolin-6-yl)butane-1-sulfonamide | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4,4,4-tris(fluoranyl)-~{N}-isoquinolin-6-yl-butane-1-sulfonamide, SODIUM ION, ... | | Authors: | Chung, C. | | Deposit date: | 2020-02-16 | | Release date: | 2020-04-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.886 Å) | | Cite: | Exploring the SAR of the beta-Ketoacyl-ACP Synthase Inhibitor GSK3011724A and Optimization around a Genotoxic Metabolite.
Acs Infect Dis., 6, 2020
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5YKR
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8XJJ
 | | Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018 | | Descriptor: | 1,2-ETHANEDIOL, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, Son of sevenless homolog 1 | | Authors: | Ren, X. | | Deposit date: | 2023-12-21 | | Release date: | 2024-08-14 | | Last modified: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of RGT-018: A Potent, Selective, and Orally Bioavailable SOS1 Inhibitor for KRAS-Driven Cancers.
Mol.Cancer Ther., 23, 2024
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5M9M
 | | Human angiogenin PD variant Q77P | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Angiogenin, ... | | Authors: | Bradshaw, W.J, Rehman, S, Pham, T.T.K, Thiyagarajan, N, Lee, R.L, Subramanian, V, Acharya, K.R. | | Deposit date: | 2016-11-01 | | Release date: | 2017-02-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural insights into human angiogenin variants implicated in Parkinson's disease and Amyotrophic Lateral Sclerosis.
Sci Rep, 7, 2017
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7ZS6
 | | Crystal structure of Apis mellifera RidA | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Reactive intermediate deaminase A, ... | | Authors: | Visentin, C, Rizzi, G, Ricagno, S. | | Deposit date: | 2022-05-06 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Apis mellifera RidA, a novel member of the canonical YigF/YER057c/UK114 imine deiminase superfamily of enzymes pre-empting metabolic damage.
Biochem.Biophys.Res.Commun., 616, 2022
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1A2W
 | | CRYSTAL STRUCTURE OF A 3D DOMAIN-SWAPPED DIMER OF BOVINE PANCREATIC RIBONUCLEASE A | | Descriptor: | CHLORIDE ION, RIBONUCLEASE A, SULFATE ION | | Authors: | Liu, Y, Hart, P.J, Schlunegger, M.P, Eisenberg, D.S. | | Deposit date: | 1998-01-12 | | Release date: | 1998-04-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The crystal structure of a 3D domain-swapped dimer of RNase A at a 2.1-A resolution.
Proc.Natl.Acad.Sci.USA, 95, 1998
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3K85
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7MS7
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (5-((4-(4-chlorophenyl)piperidin-1-yl)sulfonyl)picolinoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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6HDJ
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7MS6
 | | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (2-fluoro-4-((4-phenylpiperidin-1-yl)sulfonyl)benzoyl)glycine | | Descriptor: | 1,2-ETHANEDIOL, N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine, SULFATE ION, ... | | Authors: | Mann, M.K, Zepeda-Velazquez, C.A, Alvarez, H.G, Dong, A, Kiyota, T, Aman, A, Arrowsmith, C.H, Al-Awar, R, Harding, R.J, Schapira, M. | | Deposit date: | 2021-05-10 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationship of USP5 Inhibitors.
J.Med.Chem., 64, 2021
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1A49
 | | BIS MG-ATP-K-OXALATE COMPLEX OF PYRUVATE KINASE | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, OXALATE ION, ... | | Authors: | Larsen, T.M, Benning, M.M, Rayment, I, Reed, G.H. | | Deposit date: | 1998-02-12 | | Release date: | 1999-04-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the bis(Mg2+)-ATP-oxalate complex of the rabbit muscle pyruvate kinase at 2.1 A resolution: ATP binding over a barrel.
Biochemistry, 37, 1998
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8C10
 | | Biochemical and structural characterisation of an alkaline family GH5 cellulase from a shipworm symbiont | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GH5 Cellulase, ... | | Authors: | Leiros, I, Vaaje-Kolstad, G. | | Deposit date: | 2022-12-19 | | Release date: | 2023-04-19 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Biochemical and structural characterisation of a family GH5 cellulase from endosymbiont of shipworm P. megotara.
Biotechnol Biofuels Bioprod, 16, 2023
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7CSN
 | | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution | | Descriptor: | Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2020-08-15 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 1.00 A resolution
To Be Published
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9DMF
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7CGP
 | | Cryo-EM structure of the human mitochondrial translocase TIM22 complex at 3.7 angstrom. | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Acylglycerol kinase, mitochondrial, ... | | Authors: | Qi, L, Wang, Q, Guan, Z, Yan, C, Yin, P. | | Deposit date: | 2020-07-01 | | Release date: | 2020-10-14 | | Last modified: | 2025-06-18 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structure of the human mitochondrial translocase TIM22 complex.
Cell Res., 31, 2021
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6HVD
 | | Human SLK bound to a maleimide inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-(1,3-benzothiazol-2-ylamino)-4-(2-methoxyphenyl)pyrrole-2,5-dione, STE20-like serine/threonine-protein kinase, ... | | Authors: | Sorrell, F.J, Berger, B.T, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M. | | Deposit date: | 2018-10-10 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Human SLK bound to a maleimide inhibitor
To Be Published
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7C5D
 | | Crystal structure of TRF2 TRFH domain in complex with a MCPH1 peptide | | Descriptor: | GLYCEROL, Microcephalin, Telomeric repeat-binding factor 2 | | Authors: | Xiong, X, Chen, Y. | | Deposit date: | 2020-05-19 | | Release date: | 2020-10-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.151 Å) | | Cite: | Microcephalin 1/BRIT1-TRF2 interaction promotes telomere replication and repair, linking telomere dysfunction to primary microcephaly.
Nat Commun, 11, 2020
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8PFK
 | | RNA structure with 1-methylpseudouridine, C2 space group | | Descriptor: | MAGNESIUM ION, RNA (12-mer) | | Authors: | Spingler, B, McAuley, K, Nievergelt, P, Thorn, A. | | Deposit date: | 2023-06-16 | | Release date: | 2024-01-31 | | Last modified: | 2025-02-19 | | Method: | X-RAY DIFFRACTION (1.321 Å) | | Cite: | RNA oligomers at atomic resolution containing 1-methylpseudouridine, an essential building block of mRNA vaccines.
Chemmedchem, 19, 2024
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6GS0
 | | Native Glucuronoyl Esterase from Opitutus terrae | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Putative acetyl xylan esterase, ... | | Authors: | Lo Leggio, L, Larsbrink, J, Meland Knudsen, R, Mazurkewich, S, Navarro Poulsen, J.C. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Biochemical and structural features of diverse bacterial glucuronoyl esterases facilitating recalcitrant biomass conversion.
Biotechnol Biofuels, 11, 2018
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8PTQ
 | | COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5l | | Descriptor: | 1,2-ETHANEDIOL, Monoglyceride lipase, methyl 4-[(2~{S},3~{R})-3-(4-fluorophenyl)-1-(1-methanoylpiperidin-4-yl)-4-oxidanylidene-azetidin-2-yl]benzoate | | Authors: | Butini, S, Grether, U, Benz, J, Leibrock, L, Maramai, S, Papa, A, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | | Deposit date: | 2023-07-14 | | Release date: | 2024-01-31 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization.
J.Med.Chem., 67, 2024
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5KZA
 | | Crystal structure of the Rous sarcoma virus matrix protein (aa 2-102). Space group I41 | | Descriptor: | 1,2-ETHANEDIOL, NITRATE ION, virus matrix protein | | Authors: | Kingston, R.L, Chan, J, Vogt, V.M. | | Deposit date: | 2016-07-24 | | Release date: | 2017-07-26 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Cholesterol Promotes Protein Binding by Affecting Membrane Electrostatics and Solvation Properties.
Biophys. J., 113, 2017
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9DGP
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165D
 | | THE STRUCTURE OF A MISPAIRED RNA DOUBLE HELIX AT 1.6 ANGSTROMS RESOLUTION AND IMPLICATIONS FOR THE PREDICTION OF RNA SECONDARY STRUCTURE | | Descriptor: | DNA/RNA (5'-R(*GP*CP*UP*UP*CP*GP*GP*CP*)-D(*(BRU))-3'), RHODIUM HEXAMINE ION | | Authors: | Cruse, W, Saludjian, P, Biala, E, Strazewski, P, Prange, T, Kennard, O. | | Deposit date: | 1994-03-21 | | Release date: | 1994-08-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure of a mispaired RNA double helix at 1.6-A resolution and implications for the prediction of RNA secondary structure.
Proc.Natl.Acad.Sci.USA, 91, 1994
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9JTM
 | | Human glucose 6 phosphate catalytic subunit 1 (hG6PC1) bound with G6P | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, Glucose-6-phosphatase catalytic subunit 1,GSlinker-HRV3C-GFP-twin strep, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Authors: | Chen, Q, Zhao, Y. | | Deposit date: | 2024-10-05 | | Release date: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The induced-fit and catalytic mechanisms of human G6PC1
Cell Discov, 11, 2025
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9JTL
 | | Human glucose 6 phosphate catalytic subunit 1 (hG6PC1) in apo state. | | Descriptor: | Glucose-6-phosphatase catalytic subunit 1,GS linker-HRV3C-GFP-twin strep, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Authors: | Chen, Q, Zhao, Y, Wang, Y. | | Deposit date: | 2024-10-05 | | Release date: | 2025-08-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The induced-fit and catalytic mechanisms of human G6PC1
Cell Discov, 11, 2025
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