2WF6
 
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and Aluminium tetrafluoride | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2WF5
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6-phosphate and trifluoromagnesate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Hounslow, A.M, Cliff, M.J, Williams, N.H, Hollfelder, F, Gamblin, S, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2009-09-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Atomic details of near-transition state conformers for enzyme phosphoryl transfer revealed by MgF-3 rather than by phosphoranes.
Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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2WF7
 | | Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphonate and Aluminium tetrafluoride | | Descriptor: | 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ... | | Authors: | Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-04-03 | | Release date: | 2010-05-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2WD4
 | | Ascorbate Peroxidase as a heme oxygenase: w41A variant product with t-butyl peroxide | | Descriptor: | 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID, ASCORBATE PEROXIDASE, FE (III) ION, ... | | Authors: | Badyal, S.K, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2009-03-19 | | Release date: | 2009-04-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evidence for Heme Oxygenase Activity in a Heme Peroxidase.
Biochemistry, 48, 2009
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8BV0
 | | Binary complex between the NB-ARC domain from the Tomato immune receptor NRC1 and the SPRY domain-containing effector SS15 from the potato cyst nematode | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, NRC1, Truncated secreted SPRY domain-containing protein 15 (Fragment) | | Authors: | Contreras, M.P, Pai, H, Muniyandi, S, Toghani, A, Lawson, D.M, Tumtas, Y, Duggan, C, Yuen, E.L.H, Stevenson, C.E.M, Harant, A, Wu, C.H, Bozkurt, T.O, Kamoun, S, Derevnina, L. | | Deposit date: | 2022-12-01 | | Release date: | 2022-12-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Resurrection of plant disease resistance proteins via helper NLR bioengineering.
Sci Adv, 9, 2023
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2VNX
 | | Crystal structure of soybean ascorbate peroxidase mutant W41A after exposure to a high dose of x-rays | | Descriptor: | ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION | | Authors: | Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
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6NJO
 | | Structure of the assembled ATPase EscN from the enteropathogenic E. coli (EPEC) type III secretion system | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J. | | Deposit date: | 2019-01-03 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry.
Nat Commun, 10, 2019
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8BN6
 | | Pseudomonas aeruginosa DNA gyrase B 24kDa ATPase subdomain complexed with EBL3021 | | Descriptor: | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-morpholin-4-yl-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, DNA gyrase subunit B | | Authors: | Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D. | | Deposit date: | 2022-11-12 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | New Dual Inhibitors of Bacterial Topoisomerases with Broad-Spectrum Antibacterial Activity and In Vivo Efficacy against Vancomycin-Intermediate Staphylococcus aureus .
J.Med.Chem., 66, 2023
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8C6G
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8C68
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8C6E
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8C9W
 | | Crystal structure of the adenosine A2A receptor (construct A2A-PSB2-bRIL) complexed with Etrumadenant at the orthosteric pocket | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[2-azanyl-6-[1-[[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]methyl]-1,2,3-triazol-4-yl]pyrimidin-4-yl]-2-methyl-benzenecarbonitrile, ... | | Authors: | Strater, N, Claff, T, Schlegel, J.G, Voss, J.H, Vaassen, V, Muller, C.E. | | Deposit date: | 2023-01-23 | | Release date: | 2023-07-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.114 Å) | | Cite: | Crystal structure of adenosine A 2A receptor in complex with clinical candidate Etrumadenant reveals unprecedented antagonist interaction.
Commun Chem, 6, 2023
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6MZJ
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-05 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
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8C8J
 | | Long Interspersed Nuclear Element 1 (LINE-1) reverse transcriptase ternary complex with hybrid duplex and dTTP | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, CHLORIDE ION, ... | | Authors: | Nichols, C.E, Walpole, T.B, Baldwin, E. | | Deposit date: | 2023-01-20 | | Release date: | 2023-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures, functions and adaptations of the human LINE-1 ORF2 protein.
Nature, 626, 2024
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6NJP
 | | Structure of the assembled ATPase EscN in complex with its central stalk EscO from the enteropathogenic E. coli (EPEC) type III secretion system | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, EscO, ... | | Authors: | Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J. | | Deposit date: | 2019-01-03 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.29 Å) | | Cite: | Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry.
Nat Commun, 10, 2019
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6OUL
 | | Cryo-EM structure of Escherichia coli RNAP polymerase bound to rpsTP2 promoter DNA | | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | | Deposit date: | 2019-05-04 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
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6P1K
 | | Cryo-EM structure of Escherichia coli sigma70 bound RNAP polymerase holoenzyme | | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | | Deposit date: | 2019-05-20 | | Release date: | 2020-02-26 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.05 Å) | | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
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8B56
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the inhibitor GD-9 | | Descriptor: | (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5, BROMIDE ION, ... | | Authors: | Straeter, N, Muller, C.E, Claff, T, Sylvester, K, Weisse, R, Gao, S, Song, L, Liu, X, Zhan, P. | | Deposit date: | 2022-09-21 | | Release date: | 2023-08-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | Discovery and Crystallographic Studies of Nonpeptidic Piperazine Derivatives as Covalent SARS-CoV-2 Main Protease Inhibitors.
J.Med.Chem., 65, 2022
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6P2T
 | | BshB from Bacillus subtilis complexed with citrate | | Descriptor: | CITRIC ACID, N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1, SODIUM ION, ... | | Authors: | Cook, P.D, Meloche, C.E. | | Deposit date: | 2019-05-22 | | Release date: | 2020-01-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | X-ray crystallographic structure of BshB, the zinc-dependent deacetylase involved in bacillithiol biosynthesis.
Protein Sci., 29, 2020
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7BED
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7BCY
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7BI1
 | | XFEL crystal structure of soybean ascorbate peroxidase compound II | | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2021-01-12 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7BIU
 | | XFEL crystal structure of cytochrome c peroxidase compound II | | Descriptor: | Cytochrome c peroxidase, mitochondrial, HEME C | | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | | Deposit date: | 2021-01-13 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7BM8
 | | Crystal structure of the C-terminally truncated chromosome-partitioning protein ParB from Caulobacter crescentus complexed with CTP-gamma-S | | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Chromosome-partitioning protein ParB, MAGNESIUM ION | | Authors: | Jalal, A.S, Tran, N.T, Stevenson, C.E.M, Lawson, D.M, Le, T.B.K. | | Deposit date: | 2021-01-19 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | A CTP-dependent gating mechanism enables ParB spreading on DNA.
Elife, 10, 2021
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6BNX
 | | Crystal structure of V278E-glyoxalase I mutant from Zea mays in space group P6(3) | | Descriptor: | COBALT (II) ION, Lactoylglutathione lyase | | Authors: | Alvarez, C.E, Agostini, R.B, Gonzalez, J.M, Drincovich, M.F, Campos Bermudez, V.A, Klinke, S. | | Deposit date: | 2017-11-17 | | Release date: | 2018-11-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Deciphering the number and location of active sites in the monomeric glyoxalase I of Zea mays.
Febs J., 286, 2019
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