6OZS
 
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7Q8V
 | | Crystal structure of TTBK1 in complex with VNG2.73 (compound 42) | | Descriptor: | PHOSPHATE ION, Tau-tubulin kinase 1, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | | Authors: | Chaikuad, A, Nozal, V, Martinez, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-11 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.13 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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4WW8
 | | Crystal structure of human carbonic anhydrase isozyme XII with 4-Propylthiobenzenesulfonamide | | Descriptor: | 1,2-ETHANEDIOL, 4-(propylsulfanyl)benzenesulfonamide, Carbonic anhydrase 12, ... | | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | | Deposit date: | 2014-11-10 | | Release date: | 2015-07-01 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
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4X22
 | | Crystal structure of Leptospira Interrogans Triosephosphate Isomerase (LiTIM) | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Triosephosphate isomerase | | Authors: | Pareek, V, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2014-11-25 | | Release date: | 2016-02-10 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.084 Å) | | Cite: | Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue 96 in the Plasmodial Enzyme
Chembiochem, 17, 2016
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6PGT
 | | Protein Tyrosine Phosphatase 1B (1-301), T177A mutant, vanadate bound state | | Descriptor: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION | | Authors: | Cui, D.S, Lipchock, J.M, Loria, J.P. | | Deposit date: | 2019-06-24 | | Release date: | 2019-08-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
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6P85
 | | E.coli LpxD in complex with compound 3 | | Descriptor: | 1-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonyl]-1H-1,2,3-triazol-5-amine, 3-hydroxy-7,7-dimethyl-2-phenyl-4-(thiophen-2-yl)-2,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, MAGNESIUM ION, ... | | Authors: | Ma, X, Shia, S. | | Deposit date: | 2019-06-06 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Biological Basis of Small Molecule Inhibition ofEscherichia coliLpxD Acyltransferase Essential for Lipopolysaccharide Biosynthesis.
Acs Infect Dis., 6, 2020
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4WZ8
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7PWB
 | | dTDP-sugar epimerase from Coxiella burnetii in complex with dTDP | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Cross, A.R, Harmer, N.J, Isupov, M.N. | | Deposit date: | 2021-10-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases.
J.Biol.Chem., 298, 2022
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7PWH
 | | Structure of the dTDP-sugar epimerase StrM | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, THYMIDINE-5'-DIPHOSPHATE, ... | | Authors: | Cross, A.R, Harmer, N.J, Isupov, M.N. | | Deposit date: | 2021-10-06 | | Release date: | 2022-04-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spinning sugars in antigen biosynthesis: characterization of the Coxiella burnetii and Streptomyces griseus TDP-sugar epimerases.
J.Biol.Chem., 298, 2022
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6ZJF
 | | Crystal structure of STK17B (DRAK2) in complex with AP-229 | | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | | Authors: | Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-06-28 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
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7PZ3
 | | Structure of an LPMO at 5.37x10^3 Gy | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACRYLIC ACID, ... | | Authors: | Tandrup, T, Muderspach, S.J, Ipsen, J.O, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-10-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
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4XF6
 | | myo-inositol 3-kinase bound with its products (ADP and 1D-myo-inositol 3-phosphate) | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Nagata, R, Fujihashi, M, Miki, K. | | Deposit date: | 2014-12-26 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal Structure and Product Analysis of an Archaeal myo-Inositol Kinase Reveal Substrate Recognition Mode and 3-OH Phosphorylation
Biochemistry, 54, 2015
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4XEG
 | | Structure of the enzyme-product complex resulting from TDG action on a G/hmU mismatch | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, DNA (28-MER), ... | | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2014-12-23 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Thymine DNA glycosylase exhibits negligible affinity for nucleobases that it removes from DNA.
Nucleic Acids Res., 43, 2015
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8XTP
 | | Comamonas testosteroni KF-1 circularly permuted group II intron Post-2S state | | Descriptor: | MAGNESIUM ION, POTASSIUM ION, RNA (133-MER), ... | | Authors: | Wang, L, Xie, J.H, Zhang, C, Zou, J, Huang, Z.R, Shang, S.T, Chen, X.Y, Yang, Y, Liu, J, Dong, H.H, Huang, D.M, Su, Z.M. | | Deposit date: | 2024-01-11 | | Release date: | 2025-02-12 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of circularly permuted group II intron self-splicing.
Nat.Struct.Mol.Biol., 32, 2025
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4TMN
 | | SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES | | Descriptor: | CALCIUM ION, N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine, THERMOLYSIN, ... | | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | | Deposit date: | 1987-06-29 | | Release date: | 1989-01-09 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues.
Biochemistry, 26, 1987
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6O64
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6WCI
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8GLB
 | | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | | Authors: | Pathirage, R, Ronning, D, Favrot, L. | | Deposit date: | 2023-03-21 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
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6OZG
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6WIM
 | | CdiB from Escherichia coli | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Outer membrane transporter CdiB | | Authors: | Guerin, J, Botos, I, Buchanan, S.K. | | Deposit date: | 2020-04-10 | | Release date: | 2020-11-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural insight into toxin secretion by contact dependent growth inhibition transporters.
Elife, 9, 2020
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4XDT
 | | Crystal structure of Treponema pallidum TP0796 Flavin trafficking protein, a bifunctional FMN transferase/FAD pyrophosphatase, N55Y mutant, FAD bound form | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FAD:protein FMN transferase, ... | | Authors: | Tomchick, D.R, Brautigam, C.A, Deka, R.K, Norgard, M.V. | | Deposit date: | 2014-12-19 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.452 Å) | | Cite: | Evidence for Posttranslational Protein Flavinylation in the Syphilis Spirochete Treponema pallidum: Structural and Biochemical Insights from the Catalytic Core of a Periplasmic Flavin-Trafficking Protein.
Mbio, 6, 2015
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4XDJ
 | | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ... | | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-19 | | Release date: | 2015-03-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac.
Science, 347, 2015
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6ONG
 | | Dehaloperoxidate B in complex with substrate 4-F-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-2-methylphenol, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, McGuire, A. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6ONX
 | | Dehaloperoxidase B in complex with substrate 4-Br-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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4XGP
 | | Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized and soaked with AMP. | | Descriptor: | 1,2-ETHANEDIOL, 5'/3'-nucleotidase SurE, ADENINE, ... | | Authors: | Mathiharan, Y.K, Murthy, M.R.N. | | Deposit date: | 2015-01-01 | | Release date: | 2015-09-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into stabilizing interactions in the distorted domain-swapped dimer of Salmonella typhimurium survival protein.
Acta Crystallogr.,Sect.D, 71, 2015
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