7PVU
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![BU of 7pvu by Molmil](/molmil-images/mine/7pvu) | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | Descriptor: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | Deposit date: | 2021-10-05 | Release date: | 2023-05-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway. Nat Commun, 14, 2023
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7O86
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![BU of 7o86 by Molmil](/molmil-images/mine/7o86) | 1.73A X-ray crystal structure of the conserved C-terminal (CCT) of human SPAK | Descriptor: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | Authors: | Elvers, K.T, Bax, B.D, Lipka-Lloyd, M, Mehellou, Y. | Deposit date: | 2021-04-14 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains. Chembiochem, 23, 2022
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7AMN
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![BU of 7amn by Molmil](/molmil-images/mine/7amn) | Structure of LuxR with DNA (repression) | Descriptor: | DNA (5'-D(P*TP*AP*TP*TP*GP*AP*TP*AP*AP*AP*AP*TP*TP*AP*TP*CP*AP*AP*TP*AP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*TP*GP*AP*TP*AP*AP*TP*TP*TP*TP*AP*TP*CP*AP*AP*TP*A)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2021-04-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
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8PEK
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6V1M
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![BU of 6v1m by Molmil](/molmil-images/mine/6v1m) | Structure of NDM-1 bound to QPX7728 at 1.05 A | Descriptor: | (1~{a}~{R},7~{b}~{S})-5-fluoranyl-2,2-bis(oxidanyl)-1~{a},7~{b}-dihydro-1~{H}-cyclopropa[c][1,2]benzoxaborinine-4-carboxylic acid, Metallo-beta-lactamase type 2, ZINC ION | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-11-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Discovery of Cyclic Boronic Acid QPX7728, an Ultrabroad-Spectrum Inhibitor of Serine and Metallo-beta-lactamases. J.Med.Chem., 63, 2020
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7TF7
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![BU of 7tf7 by Molmil](/molmil-images/mine/7tf7) | S. aureus GS(12) - apo | Descriptor: | Glutamine synthetase | Authors: | Travis, B.A, Peck, J, Schumacher, M.A. | Deposit date: | 2022-01-06 | Release date: | 2022-06-29 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (2.13 Å) | Cite: | Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
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7AHM
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![BU of 7ahm by Molmil](/molmil-images/mine/7ahm) | Low-resolution structure of the K+/H+ antiporter subunit KhtT in complex with c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, K(+)/H(+) antiporter subunit KhtT | Authors: | Cereija, T.B, Guerra, J.P, Morais-Cabral, J.H. | Deposit date: | 2020-09-24 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.14 Å) | Cite: | c-di-AMP, a likely master regulator of bacterial K + homeostasis machinery, activates a K + exporter. Proc.Natl.Acad.Sci.USA, 118, 2021
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7ALF
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![BU of 7alf by Molmil](/molmil-images/mine/7alf) | The dimethylated RSL - sulfonato-calix[8]arene complex, P3 form, acetate pH 4.0 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2020-10-06 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.261 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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8SSK
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![BU of 8ssk by Molmil](/molmil-images/mine/8ssk) | Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains | Descriptor: | ACETATE ION, CALCIUM ION, Contact-dependent inhibitor A, ... | Authors: | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Nhan, D.Q. | Deposit date: | 2023-05-08 | Release date: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Citrobacter rodentium contact dependent growth inhibition (CDI) entry and toxin (CdiA-CT) domains To Be Published
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5F4Z
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![BU of 5f4z by Molmil](/molmil-images/mine/5f4z) | The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus | Descriptor: | (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tan, K, Li, H, Jedrzejczak, R, BABNIGG, G, BINGMAN, C.A, YENNAMALLI, R, LOHMAN, J, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-12-03 | Release date: | 2016-02-17 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus To Be Published
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8Q2C
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5KQ2
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7NTE
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![BU of 7nte by Molmil](/molmil-images/mine/7nte) | The structure of an open conformation of the SBP TarP_Csal | Descriptor: | MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | Deposit date: | 2021-03-09 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters. Febs J., 289, 2022
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6V5F
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8DFK
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5I33
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![BU of 5i33 by Molmil](/molmil-images/mine/5i33) | Unligated adenylosuccinate synthetase from Cryptococcus neoformans | Descriptor: | Adenylosuccinate synthetase | Authors: | Blundell, R.D, Williams, S.J, Ericsson, D, Fraser, J.A, Kobe, B. | Deposit date: | 2016-02-09 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Disruption of de Novo Adenosine Triphosphate (ATP) Biosynthesis Abolishes Virulence in Cryptococcus neoformans. Acs Infect Dis., 2, 2016
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6J1T
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![BU of 6j1t by Molmil](/molmil-images/mine/6j1t) | Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue | Descriptor: | (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-12-29 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters. J.Am.Chem.Soc., 141, 2019
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7KMD
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7AL0
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![BU of 7al0 by Molmil](/molmil-images/mine/7al0) | Crystal Structure of Heymonin, a Novel Frog-derived Peptide | Descriptor: | CHLORIDE ION, Heymonin | Authors: | Kascakova, B, Prudnikova, T, Kuta Smatanova, I, Xu, X. | Deposit date: | 2020-10-03 | Release date: | 2021-04-21 | Last modified: | 2021-05-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Characterization and functional analysis of cathelicidin-MH, a novel frog-derived peptide with anti-septicemic properties. Elife, 10, 2021
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8PEJ
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![BU of 8pej by Molmil](/molmil-images/mine/8pej) | CjGH35 with a Galactosidase Activity-Based Probe | Descriptor: | (1~{S},2~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W.A, Davies, G.J. | Deposit date: | 2023-06-14 | Release date: | 2023-10-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The development of a broad-spectrum retaining beta-exo-galactosidase activity-based probe. Org.Biomol.Chem., 21, 2023
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8PE3
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![BU of 8pe3 by Molmil](/molmil-images/mine/8pe3) | Structure of Csm6' from Streptococcus thermophilus in complex with cyclic hexa-adenylate (cA6) | Descriptor: | CRISPR system endoribonuclease Csm6', Cyclic hexaadenosine monophosphate (cA6), RNA | Authors: | McQuarrie, S.J, Athukoralage, J.S, McMahon, S.A, Graham, S, Ackerman, K, Bode, B.E, White, M.F, Gloster, T.M. | Deposit date: | 2023-06-13 | Release date: | 2023-10-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Activation of Csm6 ribonuclease by cyclic nucleotide binding: in an emergency, twist to open. Nucleic Acids Res., 51, 2023
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7AUU
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5IO3
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![BU of 5io3 by Molmil](/molmil-images/mine/5io3) | Crystal structure of the legionella pneumophila effector protein RavZ - I422 | Descriptor: | Uncharacterized protein RavZ | Authors: | Kwon, D.H, Kim, L, Kim, B.-W, Hong, S.B, Song, H.K. | Deposit date: | 2016-03-08 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | The 1:2 complex between RavZ and LC3 reveals a mechanism for deconjugation of LC3 on the phagophore membrane Autophagy, 13, 2017
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7AUT
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7AUO
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![BU of 7auo by Molmil](/molmil-images/mine/7auo) | Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with PA-InsP8 | Descriptor: | Diphosphoinositol polyphosphate phosphohydrolase DDP1, {[(1R,3S,4S,5R,6S)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl]bis[oxy(2-oxoethane-2,1-diyl)]}bis(phosphonic acid) | Authors: | Marquez-Monino, M.A, Gonzalez, B. | Deposit date: | 2020-11-03 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping. Sci Adv, 7, 2021
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