4Y6S
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![BU of 4y6s by Molmil](/molmil-images/mine/4y6s) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC134, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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1X8I
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![BU of 1x8i by Molmil](/molmil-images/mine/1x8i) | Crystal Structure of the Zinc Carbapenemase CphA in Complex with the Antibiotic Biapenem | Descriptor: | 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, ... | Authors: | Garau, G, Dideberg, O. | Deposit date: | 2004-08-18 | Release date: | 2004-12-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Metallo-beta-lactamase Enzyme in Action: Crystal Structures of the Monozinc Carbapenemase CphA and its Complex with Biapenem J.Mol.Biol., 345, 2005
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1X8G
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8AGG
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8ANP
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![BU of 8anp by Molmil](/molmil-images/mine/8anp) | Legionella effector Lem3 mutant D190A in complex with Mg2+ | Descriptor: | MAGNESIUM ION, Phosphocholine hydrolase Lem3, SULFATE ION, ... | Authors: | Kaspers, M.S, Pogenberg, V, Ernst, S, Ecker, F, Pett, C, Ochtrop, P, Hedberg, C, Groll, M, Itzen, A. | Deposit date: | 2022-08-05 | Release date: | 2023-04-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b. Nat Commun, 14, 2023
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8ALK
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![BU of 8alk by Molmil](/molmil-images/mine/8alk) | Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1 | Descriptor: | 2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Kaspers, M.S, Pett, C, Hedberg, C, Itzen, A, Pogenberg, V. | Deposit date: | 2022-08-01 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Dephosphocholination by Legionella effector Lem3 functions through remodelling of the switch II region of Rab1b. Nat Commun, 14, 2023
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1PYY
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![BU of 1pyy by Molmil](/molmil-images/mine/1pyy) | Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ... | Authors: | Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A. | Deposit date: | 2003-07-09 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains J.Biol.Chem., 278, 2003
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5H47
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![BU of 5h47 by Molmil](/molmil-images/mine/5h47) | Crystal structure of AOL complexed with 2-MeSe-Fuc | Descriptor: | Uncharacterized protein, methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside | Authors: | Kato, R, Nishikawa, Y, Makyio, H. | Deposit date: | 2016-10-31 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis of seleno-fucose compounds and their application to the X-ray structural determination of carbohydrate-lectin complexes using single/multi-wavelength anomalous dispersion phasing Bioorg. Med. Chem., 25, 2017
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2X9J
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4Y67
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![BU of 4y67 by Molmil](/molmil-images/mine/4y67) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC176, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, MANGANESE (II) ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-12 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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4Y6P
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![BU of 4y6p by Molmil](/molmil-images/mine/4y6p) | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, RC177, and manganese | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | Deposit date: | 2015-02-13 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Synthesis and Bioactivity of beta-Substituted Fosmidomycin Analogues Targeting 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase. J.Med.Chem., 58, 2015
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6YX5
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![BU of 6yx5 by Molmil](/molmil-images/mine/6yx5) | Structure of DrrA from Legionella pneumophilia in complex with human Rab8a | Descriptor: | MAGNESIUM ION, Multifunctional virulence effector protein DrrA, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Schneider, S, Du, J, von Wrisberg, M.K, Lang, K, Itzen, A. | Deposit date: | 2020-04-30 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Rab1-AMPylation by Legionella DrrA is allosterically activated by Rab1. Nat Commun, 12, 2021
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8B5V
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5MWP
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![BU of 5mwp by Molmil](/molmil-images/mine/5mwp) | The structure of MR in complex with AZD9977. | Descriptor: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-19 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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5MWY
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![BU of 5mwy by Molmil](/molmil-images/mine/5mwy) | The structure of MR in complex with eplerenone. | Descriptor: | Mineralocorticoid receptor, NCOA1, eplerenone | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-20 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
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4EAL
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![BU of 4eal by Molmil](/molmil-images/mine/4eal) | Co-crystal of AMPK core with ATP soaked with AMP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
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1AXS
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![BU of 1axs by Molmil](/molmil-images/mine/1axs) | MATURE OXY-COPE CATALYTIC ANTIBODY WITH HAPTEN | Descriptor: | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL, CADMIUM ION, OXY-COPE CATALYTIC ANTIBODY | Authors: | Mundorff, E.C, Ulrich, H.D, Stevens, R.C. | Deposit date: | 1997-10-20 | Release date: | 1998-02-04 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The interplay between binding energy and catalysis in the evolution of a catalytic antibody. Nature, 389, 1997
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8B8Y
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![BU of 8b8y by Molmil](/molmil-images/mine/8b8y) | Crystal structure of PPARG and NCOR2 with an inverse agonist (compound 7e) | Descriptor: | 4,5-bis(chloranyl)-~{N}3-phenyl-~{N}1-(phenylmethyl)benzene-1,3-dicarboxamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Holton, S.J, Friberg, A, Orsi, D.L, Pook, E, Siegel, S, Lemke, C.T, Stellfeld, T, Puetter, V, Goldstein, J. | Deposit date: | 2022-10-05 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of orally bioavailable 4-chloro-6-fluoroisophthalamides as covalent PPARG inverse-agonists. Bioorg.Med.Chem., 78, 2022
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2VHK
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5MG3
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![BU of 5mg3 by Molmil](/molmil-images/mine/5mg3) | EM fitted model of bacterial holo-translocon | Descriptor: | Membrane protein insertase YidC, Protein translocase subunit SecD, Protein translocase subunit SecE, ... | Authors: | Schaffitzel, C, Botte, M. | Deposit date: | 2016-11-20 | Release date: | 2016-12-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (14 Å) | Cite: | A central cavity within the holo-translocon suggests a mechanism for membrane protein insertion. Sci Rep, 6, 2016
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8BHD
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![BU of 8bhd by Molmil](/molmil-images/mine/8bhd) | N-terminal domain of Plasmodium berghei glutamyl-tRNA synthetase (Tbxo4 derivative crystal structure) | Descriptor: | GLYCEROL, Glutamate--tRNA ligase, SULFATE ION, ... | Authors: | Benas, P, Jaramillo Ponce, J.R, Legrand, P, Frugier, M, Sauter, C. | Deposit date: | 2022-10-31 | Release date: | 2023-01-25 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Solution X-ray scattering highlights discrepancies in Plasmodium multi-aminoacyl-tRNA synthetase complexes. Protein Sci., 32, 2023
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1BQ3
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1GFI
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![BU of 1gfi by Molmil](/molmil-images/mine/1gfi) | STRUCTURES OF ACTIVE CONFORMATIONS OF GI ALPHA 1 AND THE MECHANISM OF GTP HYDROLYSIS | Descriptor: | GUANINE NUCLEOTIDE-BINDING PROTEIN G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Coleman, D.E, Berghuis, A.M, Sprang, S.R. | Deposit date: | 1994-11-11 | Release date: | 1995-03-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis. Science, 265, 1994
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5LYO
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5LEK
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![BU of 5lek by Molmil](/molmil-images/mine/5lek) | The Transcriptional Regulator PrfA-G145S mutant from Listeria Monocytogenes in complex with a 30-bp operator PrfA-box motif | Descriptor: | DNA (30-MER), Listeriolysin regulatory protein | Authors: | Hall, M, Grundstrom, C, Begum, A, Lindberg, M, Sauer, U.H, Almqvist, F, Johansson, J, Sauer-Eriksson, A.E. | Deposit date: | 2016-06-29 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for glutathione-mediated activation of the virulence regulatory protein PrfA in Listeria. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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