3E6Q
 
 | | Putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa. | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FORMIC ACID, ... | | Authors: | Osipiuk, J, Xu, X, Cui, H, Savchenko, A, Edwards, A.M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2008-08-15 | | Release date: | 2008-08-26 | | Last modified: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | X-ray crystal structure of putative 5-carboxymethyl-2-hydroxymuconate isomerase from Pseudomonas aeruginosa.
To be Published
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6Z19
 | | Crystal structure of P8C9 bound to CK2alpha | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2020-05-13 | | Release date: | 2021-05-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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5HAP
 | | OXA-48 beta-lactamase - S70A mutant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Beta-lactamase, ... | | Authors: | Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2015-12-30 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
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6Z9V
 | | Human Class I Major Histocompatibility Complex, A02 allele, presenting IIGWMWIPV | | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Rizkallah, P.J, Man, S, Redman, J.E. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Synthetic Peptides with Inadvertent Chemical Modifications Can Activate Potentially Autoreactive T Cells.
J Immunol., 207, 2021
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5H9W
 | | Crystal structure of Regnase PIN domain, form II | | Descriptor: | Ribonuclease ZC3H12A, SODIUM ION | | Authors: | Yokogawa, M, Tsushima, T, Adachi, W, Noda, N.N, Inagaki, F. | | Deposit date: | 2015-12-29 | | Release date: | 2016-03-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
Sci Rep, 6, 2016
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5H8W
 | | XPD mechanism | | Descriptor: | ATP-dependent DNA helicase Ta0057, DNA (5'-D(P*TP*AP*CP*GP*A)-3'), IRON/SULFUR CLUSTER, ... | | Authors: | Naismith, J.H, Constantinescu, D. | | Deposit date: | 2015-12-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism of DNA loading by the DNA repair helicase XPD.
Nucleic Acids Res., 44, 2016
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7A6A
 | | 1.15 A structure of human apoferritin obtained from Titan Mono- BCOR microscope | | Descriptor: | Ferritin heavy chain, SODIUM ION | | Authors: | Yip, K.M, Fischer, N, Chari, A, Stark, H. | | Deposit date: | 2020-08-25 | | Release date: | 2020-09-02 | | Last modified: | 2021-02-10 | | Method: | ELECTRON MICROSCOPY (1.15 Å) | | Cite: | Atomic-resolution protein structure determination by cryo-EM.
Nature, 587, 2020
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8OON
 | | Glutamine synthetase from Methanothermococcus thermolithotrophicus at a resolution of 2.43 A | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glutamine synthetase from Methanothermococcus thermolithotrophicus, ... | | Authors: | Mueller, M.-C, Lemaire, O.N, Wagner, T. | | Deposit date: | 2023-04-05 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Differences in regulation mechanisms of glutamine synthetases from methanogenic archaea unveiled by structural investigations.
Commun Biol, 7, 2024
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1WPL
 | | Crystal structure of the inhibitory form of rat GTP cyclohydrolase I/GFRP complex | | Descriptor: | 7,8-DIHYDROBIOPTERIN, GTP cyclohydrolase I, GTP cyclohydrolase I feedback regulatory protein, ... | | Authors: | Maita, N, Hatakeyama, K, Okada, K, Hakoshima, T. | | Deposit date: | 2004-09-08 | | Release date: | 2004-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of biopterin-induced inhibition of GTP cyclohydrolase I by GFRP, its feedback regulatory protein
J.Biol.Chem., 279, 2004
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6ZUJ
 | | Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen). | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | | Deposit date: | 2020-07-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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1INW
 | | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | | Descriptor: | (1S)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | | Deposit date: | 1994-09-26 | | Release date: | 1995-02-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
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5HXA
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4G8J
 | | X-ray Structure of Uridine Phosphorylease from Vibrio cholerae Complexed with Thymidine at 2.12 A Resolution | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Lashkov, A.A, Gabdoulkhakov, A.G, Prokofev, I.I, Sotnichenko, S.E, Betzel, C, Mikhailov, A.M. | | Deposit date: | 2012-07-23 | | Release date: | 2013-07-24 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.119 Å) | | Cite: | X-ray structure of uridine phosphorylease from Vibrio cholerae complexed with thymidine
To be Published
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1INX
 | | A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | | Descriptor: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | | Deposit date: | 1994-09-26 | | Release date: | 1995-02-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies.
J.Mol.Biol., 245, 1995
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2THF
 | | STRUCTURE OF HUMAN ALPHA-THROMBIN Y225F MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, SODIUM ION, THROMBIN HEAVY CHAIN, ... | | Authors: | Caccia, S, Futterer, K, Di Cera, E, Waksman, G. | | Deposit date: | 1999-01-26 | | Release date: | 1999-03-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unexpected crucial role of residue 225 in serine proteases.
Proc.Natl.Acad.Sci.USA, 96, 1999
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5IPG
 | | Xanthomonas campestris Peroxiredoxin Q - Structure FFT-butyl (Hyperoxodized by t-butyl hydroperoxide) | | Descriptor: | Bacterioferritin comigratory protein, SODIUM ION | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-09 | | Release date: | 2016-09-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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7AE4
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5I71
 | | X-ray structure of the ts3 human serotonin transporter complexed with s-citalopram at the central site | | Descriptor: | (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, ... | | Authors: | Coleman, J.A, Green, E.M, Gouaux, E. | | Deposit date: | 2016-02-16 | | Release date: | 2016-04-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | X-ray structures and mechanism of the human serotonin transporter.
Nature, 532, 2016
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7AC2
 | | Structure of Hen Egg White Lysozyme collected by rotation serial crystallography on a COC membrane at a synchrotron source | | Descriptor: | CHLORIDE ION, Lysozyme, SODIUM ION | | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Vera, L, Wang, M, Marsh, M. | | Deposit date: | 2020-09-09 | | Release date: | 2021-09-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.507 Å) | | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography.
Acta Crystallogr D Struct Biol, 77, 2021
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4HFP
 | | Structure of thrombin mutant S195a bound to the active site inhibitor argatroban | | Descriptor: | (2R,4R)-4-methyl-1-(N~2~-{[(3S)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}-L-arginyl)piperidine-2-carboxylic acid, Prothrombin, SODIUM ION | | Authors: | Pozzi, N, Chen, Z, Zapata, F, Lin, W, Barranco-Medina, S, Pelc, L.A, Di Cera, E. | | Deposit date: | 2012-10-05 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
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7A0S
 | | 50S Deinococcus radiodurans ribosome bounded with mycinamicin I | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Breiner, E, Eyal, Z, Matzov, D, Halfon, Y, Cimicata, G, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A. | | Deposit date: | 2020-08-10 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Ribosome-binding and anti-microbial studies of the mycinamicins, 16-membered macrolide antibiotics from Micromonospora griseorubida.
Nucleic Acids Res., 49, 2021
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4BZ1
 | | Structure of dengue virus EDIII in complex with Fab 3e31 | | Descriptor: | CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ... | | Authors: | Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B. | | Deposit date: | 2013-07-23 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published
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5IMD
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F4 | | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, OXYGEN ATOM, ... | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-06 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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5INY
 | | Xanthomonas campestris Peroxiredoxin Q - Structure F8 | | Descriptor: | Bacterioferritin comigratory protein, FORMIC ACID, SODIUM ION | | Authors: | Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A. | | Deposit date: | 2016-03-08 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
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8JUQ
 | | Crystal structure of Chitoporin from Vibrio harveyi in complex with gentamicin c1a | | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ... | | Authors: | Sanram, S, Suginta, W, Robinson, R. | | Deposit date: | 2023-06-27 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of Chitoporin from Vibrio harveyi in complex with gentamicin c1a
To Be Published
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