6ZO0
 
 | | 2.23 A resolution 3,4-dimethylcatechol (3,4-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
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4Q3L
 | | Crystal structure of MGS-M2, an alpha/beta hydrolase enzyme from a Medee basin deep-sea metagenome library | | Descriptor: | GLYCEROL, MGS-M2 | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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6GEB
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6ZNY
 | | 1.50 A resolution 3-methylcatechol (3-methylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZO2
 | | 1.65 A resolution 4,5-dimethylcatechol (4,5-dimethylbenzene-1,2-diol) inhibited Sporosarcina pasteurii urease | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Cianci, M, Musiani, F, Ciurli, S. | | Deposit date: | 2020-07-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.
Angew.Chem.Int.Ed.Engl., 60, 2021
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6ZTL
 | | E. coli 70S-RNAP expressome complex in collided state bound to NusG | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | | Deposit date: | 2020-07-20 | | Release date: | 2020-09-16 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural basis of transcription-translation coupling and collision in bacteria.
Science, 369, 2020
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3DZO
 | | Crystal structure of a rhoptry kinase from toxoplasma gondii | | Descriptor: | MAGNESIUM ION, Rhoptry kinase domain | | Authors: | Wernimont, A.K, Lam, A, Ali, A, Lin, Y.H, Ni, S, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Schapira, M, Bochkarev, A, Wilkstrom, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Sibley, D, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-07-30 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Novel structural and regulatory features of rhoptry secretory kinases in Toxoplasma gondii.
Embo J., 28, 2009
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6GEF
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6GKZ
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6GYJ
 | | Mouse thymidylate synthase crystal soaked in phenolphthalein | | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Maj, P, Jarmula, A, Wilk, P, Weiss, M.S, Rode, W. | | Deposit date: | 2018-06-30 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thymidylate synthase fragment screening
To be published
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3CV9
 | | Crystal structure of vitamin D hydroxylase cytochrome P450 105A1 (R73A/R84A mutant) in complex with 1alpha,25-dihydroxyvitamin D3 | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, Cytochrome P450-SU1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Hayashi, K, Sugimoto, H, Shinkyo, R, Yamada, M, Ikeda, S, Ikushiro, S, Kamakura, M, Shiro, Y, Sakaki, T. | | Deposit date: | 2008-04-18 | | Release date: | 2008-11-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-based design of a highly active vitamin D hydroxylase from Streptomyces griseolus CYP105A1
Biochemistry, 47, 2008
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6H0Z
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand NR067
To be published
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3E20
 | | Crystal structure of S.pombe eRF1/eRF3 complex | | Descriptor: | Eukaryotic peptide chain release factor GTP-binding subunit, Eukaryotic peptide chain release factor subunit 1 | | Authors: | Cheng, Z, Lim, M, Kong, C, Song, H. | | Deposit date: | 2008-08-05 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural insights into eRF3 and stop codon recognition by eRF1
Genes Dev., 23, 2009
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3DXB
 | | Structure of the UHM domain of Puf60 fused to thioredoxin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, thioredoxin N-terminally fused to Puf60(UHM) | | Authors: | Corsini, L, Hothorn, M, Scheffzek, K, Stier, G, Sattler, M. | | Deposit date: | 2008-07-24 | | Release date: | 2008-10-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Dimerization and Protein Binding Specificity of the U2AF Homology Motif of the Splicing Factor Puf60.
J.Biol.Chem., 284, 2009
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8SX0
 | | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain | | Descriptor: | CALCIUM ION, Filamentous hemagglutinin, GLYCEROL, ... | | Authors: | Cuthbert, B.J, Goulding, C.W, Hayes, C.S, Costello, M.S. | | Deposit date: | 2023-05-19 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Bordetella filamentous hemagglutinin (FhaB) C-terminal domain
To Be Published
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6H0X
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA040 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA040
To be published
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6H11
 | | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | | Authors: | Malecki, P.H, Weiss, M.S, Heinemann, U, Link, A. | | Deposit date: | 2018-07-10 | | Release date: | 2020-01-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.516 Å) | | Cite: | Crystal Structure of KDM4D with tetrazolylhydrazide ligand AA028
To be published
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7XY8
 | | Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN) | | Descriptor: | Isoform 2 of Basigin, heavy chain, light chain | | Authors: | Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K. | | Deposit date: | 2022-06-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals.
J Oncol, 2022, 2022
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6H2P
 | | Crystal Structure of Arg184Gln mutant of Human Prolidase with Mn ions and Cacodylate ligand | | Descriptor: | CACODYLATE ION, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Wilk, P, Piwowarczyk, R, Weiss, M.S. | | Deposit date: | 2018-07-14 | | Release date: | 2018-08-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | Structural basis for prolidase deficiency disease mechanisms.
FEBS J., 285, 2018
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3BJH
 | | Soft-SAD crystal structure of a pheromone binding protein from the honeybee Apis mellifera L. | | Descriptor: | GLYCEROL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | | Authors: | Lartigue, A, Gruez, A, Briand, L, Blon, F, Bezirard, V, Walsh, M, Pernollet, J.C, Tegoni, M, Cambillau, C. | | Deposit date: | 2007-12-04 | | Release date: | 2007-12-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Sulfur single-wavelength anomalous diffraction crystal structure of a pheromone-binding protein from the honeybee Apis mellifera L.
J.Biol.Chem., 279, 2004
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3EFX
 | | Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details | | Descriptor: | Cholera enterotoxin subunit B, Heat-labile enterotoxin B chain, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]beta-D-glucopyranose | | Authors: | Holmner, A, Lebens, M, Teneberg, S, Angstrom, J, Okvist, M, Krengel, U. | | Deposit date: | 2008-09-10 | | Release date: | 2008-09-23 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin: 1.9 A crystal structure reveals the details
Structure, 12, 2004
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1AGW
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3E64
 | | Fragment based discovery of JAK-2 inhibitors | | Descriptor: | 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzenesulfonamide, Tyrosine-protein kinase JAK2 | | Authors: | Antonysamy, S, Fang, W, Hirst, G, Park, F, Russell, M, Smyth, L, Sprengeler, P, Stappenbeck, F, Steensma, R, Thompson, D.A, Wilson, M, Wong, M, Zhang, A, Zhang, F. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-14 | | Last modified: | 2012-02-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fragment-based discovery of JAK-2 inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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4PL3
 | | Crystal structure of murine IRE1 in complex with MKC9989 inhibitor | | Descriptor: | 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4,8-dimethyl-2H-chromen-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sanches, M, Duffy, N, Talukdar, M, Thevakumaran, N, Chiovitti, D, Al-awar, R, Patterson, J.B, Sicheri, F. | | Deposit date: | 2014-05-16 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and mechanism of action of the hydroxy-aryl-aldehyde class of IRE1 endoribonuclease inhibitors.
Nat Commun, 5, 2014
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4Q3O
 | | Crystal structure of MGS-MT1, an alpha/beta hydrolase enzyme from a Lake Matapan deep-sea metagenome library | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A. | | Deposit date: | 2014-04-11 | | Release date: | 2015-03-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015
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