5V4I
 
 | | Osmium(II)(cymene)(chlorido)2-lysozyme adduct with one binding site | | Descriptor: | Lysozyme C, SODIUM ION, dichloro[(1,2,3,4,5,6-eta)-3-methyl-6-(propan-2-yl)benzene-1,2,4,5-tetrayl]osmium | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2017-03-09 | | Release date: | 2017-04-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | The metalation of hen egg white lysozyme impacts protein stability as shown by ion mobility mass spectrometry, differential scanning calorimetry, and X-ray crystallography.
Chem. Commun. (Camb.), 53, 2017
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5V24
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6T0P
 | | Cationic Trypsin in Complex with a D-Phe-Pro-2-aminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(2-azanylpyridin-4-yl)methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6T0M
 | | Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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5A0A
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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4MKI
 | | Cobalt transporter ATP-binding subunit | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION | | Authors: | Yu, Y, Zhang, L, Chai, C.L, Heymann, D. | | Deposit date: | 2013-09-05 | | Release date: | 2013-10-30 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for a homodimeric ATPase subunit of an ECF transporter
Protein Cell, 4, 2013
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6G71
 | | Structure of CYP1232A24 from Arthrobacter sp. | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ... | | Authors: | Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G. | | Deposit date: | 2018-04-04 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
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6SPI
 | | A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 4 | | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION, ... | | Authors: | Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | | Deposit date: | 2019-09-01 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
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6G78
 | | RSK4 N-terminal Kinase Domain S232E in complex with AMP-PNP | | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-6 | | Authors: | Prischi, F, Ali, M.M. | | Deposit date: | 2018-04-04 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Repurposed floxacins targeting RSK4 prevent chemoresistance and metastasis in lung and bladder cancer.
Sci Transl Med, 13, 2021
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6STG
 | | Human Rab8a phosphorylated at Ser111 in complex with GPPNP | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Vieweg, S, Mulholland, K, Braeuning, B, Kachariya, N, Lai, Y, Toth, R, Sattler, M, Groll, M, Itzen, A, Muqit, M.M.K. | | Deposit date: | 2019-09-10 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72.
Biochem.J., 477, 2020
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5V5J
 | | oxyferrous Dehaloperoxidase B | | Descriptor: | Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ... | | Authors: | Carey, L.M, Ghiladi, R.A. | | Deposit date: | 2017-03-14 | | Release date: | 2018-03-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.814 Å) | | Cite: | How nature tunes isoenzyme activity in the multifunctional catalytic globin dehaloperoxidase from Amphitrite ornata.
Biochim Biophys Acta Proteins Proteom, 1866, 2018
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6SQN
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6G02
 | | Complex of neuraminidase from H1N1 influenza virus with tamiphosphor omega-azidohexyl ester | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[[(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-oxidanyl-phosphoryl]oxyhexylimino-azanylidene-azanium, ... | | Authors: | Pachl, P, Pokorna, J. | | Deposit date: | 2018-03-15 | | Release date: | 2019-01-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | DNA-linked inhibitor antibody assay (DIANA) as a new method for screening influenza neuraminidase inhibitors.
Biochem. J., 475, 2018
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5A7U
 | | Single-particle cryo-EM of co-translational folded adr1 domain inside the E. coli ribosome exit tunnel. | | Descriptor: | REGULATORY PROTEIN ADR1, ZINC ION | | Authors: | Nilsson, O.B, Hedman, R, Marino, J, Wickles, S, Bischoff, L, Johansson, M, Muller-Lucks, A, Trovato, F, Puglisi, J.D, O'Brien, E, Beckmann, R, von Heijne, G. | | Deposit date: | 2015-07-10 | | Release date: | 2015-09-16 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Cotranslational Protein Folding Inside the Ribosome Exit Tunnel.
Cell Rep., 12, 2015
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6SVG
 | | Terahertz irradiated structure of bovine trypsin (odd frames of crystal x41) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | | Deposit date: | 2019-09-18 | | Release date: | 2020-01-22 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties.
Sci Rep, 9, 2019
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6SR5
 | | X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 102 fs time delay | | Descriptor: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | Authors: | Kloos, M, Gorel, A, Nass, K. | | Deposit date: | 2019-09-04 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
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4MUV
 | | M. loti cyclic-nucleotide binding domain mutant displaying inverted ligand selectivity, cyclic-GMP bound | | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated potassium channel mll3241, SODIUM ION | | Authors: | Fonseca, F, Pessoa, J, Morais-Cabral, J.H. | | Deposit date: | 2013-09-23 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Determinants of ligand selectivity in a cyclic nucleotide-regulated potassium channel.
J.Gen.Physiol., 144, 2014
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4MWJ
 | | Anhui N9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
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4MQH
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5V8G
 | | Pekin duck lysozyme isoform I (DEL-I) | | Descriptor: | CHLORIDE ION, THIOCYANATE ION, lysozyme isoform I | | Authors: | Langley, D.B, Christ, D. | | Deposit date: | 2017-03-22 | | Release date: | 2017-11-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis of antigen recognition: crystal structure of duck egg lysozyme.
Acta Crystallogr D Struct Biol, 73, 2017
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6STK
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4MWW
 | | Shanghai N9-oseltamivir carboxylate | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
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6G2K
 | | Structure of HuR RRM3 in complex with RNA (UUUUUU) | | Descriptor: | ELAV-like protein 1, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3'), SULFATE ION | | Authors: | Pabis, M, Sattler, M. | | Deposit date: | 2018-03-23 | | Release date: | 2018-10-31 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs.
Nucleic Acids Res., 47, 2019
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6SVV
 | | Reference structure of bovine trypsin (odd frames of crystal x30) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Ahlberg Gagner, V, Lundholm, I, Garcia-Bonete, M.J, Rodilla, H, Friedman, R, Zhaunerchyk, V, Bourenkov, G, Schneider, T, Stake, J, Katona, G. | | Deposit date: | 2019-09-19 | | Release date: | 2020-01-22 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Clustering of atomic displacement parameters in bovine trypsin reveals a distributed lattice of atoms with shared chemical properties.
Sci Rep, 9, 2019
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5AIY
 | | R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' SUBSTATE, AVERAGE STRUCTURE | | Descriptor: | PHENOL, PROTEIN (INSULIN) | | Authors: | O'Donoghue, S.I, Chang, X, Abseher, R, Nilges, M, Led, J.J. | | Deposit date: | 1998-12-29 | | Release date: | 2000-02-28 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Unraveling the symmetry ambiguity in a hexamer: calculation of the R6 human insulin structure.
J.Biomol.NMR, 16, 2000
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