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6HQI
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BU of 6hqi by Molmil
holo-form of polyphenol oxidase from Solanum lycopersicum
Descriptor: COPPER (II) ION, OXYGEN ATOM, Polyphenol oxidase A, ...
Authors:Kampatsikas, I, Bijelic, A, Rompel, A.
Deposit date:2018-09-25
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Biochemical and structural characterization of tomato polyphenol oxidases provide novel insights into their substrate specificity.
Sci Rep, 9, 2019
6S0U
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BU of 6s0u by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
5JK4
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BU of 5jk4 by Molmil
Phosphate-Binding Protein from Stenotrophomonas maltophilia.
Descriptor: Alkaline phosphatase, PHOSPHATE ION
Authors:Keegan, R, Waterman, D, Hopper, D, Coates, L, Guo, J, Coker, A.R, Erskine, P.T, Wood, S.P, Cooper, J.B.
Deposit date:2016-04-25
Release date:2016-05-04
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank.
Acta Crystallogr D Struct Biol, 72, 2016
6S0V
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BU of 6s0v by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, neamine and sulfate
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6S0S
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BU of 6s0s by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6RG2
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BU of 6rg2 by Molmil
Photorhabdus laumondii lectin PLL2 in complex with 3-O-methyl-D-glucose
Descriptor: 3-O-methyl-alpha-D-glucopyranose, 3-O-methyl-beta-D-glucopyranose, ACETATE ION, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6RGG
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BU of 6rgg by Molmil
Photorhabdus laumondii lectin PLL2 in complex with O-methylated PGL-1-derived disaccharide
Descriptor: 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose, ...
Authors:Houser, J, Fujdiarova, E, Wimmerova, M.
Deposit date:2019-04-16
Release date:2020-07-01
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
6H37
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BU of 6h37 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide
Descriptor: 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
8YRT
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BU of 8yrt by Molmil
Crystal structure of D-amino acid transaminase from Haliscomenobacter hydrossis in the holo form obtained at pH 7.0
Descriptor: Aminotransferase class IV, PYRIDOXAL-5'-PHOSPHATE
Authors:Matyuta, I.O, Bakunova, A.K, Minyaev, M.E, Popov, V.O, Boyko, K.M.
Deposit date:2024-03-21
Release date:2024-04-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Incorporation of pyridoxal-5'-phosphate into the apoenzyme: A structural study of D-amino acid transaminase from Haliscomenobacter hydrossis.
Biochim Biophys Acta Proteins Proteom, 1873, 2024
6H36
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BU of 6h36 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
Descriptor: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6H86
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BU of 6h86 by Molmil
Rebuilt and re-refined PDB entry 4R3Q: Crystal structure of SYCE3
Descriptor: Synaptonemal complex central element protein 3
Authors:Davies, O.R.
Deposit date:2018-08-02
Release date:2019-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:A molecular model for self-assembly of the synaptonemal complex protein SYCE3.
J.Biol.Chem., 294, 2019
6RL5
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BU of 6rl5 by Molmil
The first crystal structure of the DABA aminotransferase EctB in the ectoine biosynthesis pathway of the model organism Chromohalobacter salexigens DSM 3034
Descriptor: Diaminobutyrate--2-oxoglutarate transaminase, PYRIDOXAL-5'-PHOSPHATE
Authors:Hillier, H.T, Altermark, B, Leiros, I.
Deposit date:2019-05-01
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The crystal structure of the tetrameric DABA-aminotransferase EctB, a rate-limiting enzyme in the ectoine biosynthesis pathway.
Febs J., 287, 2020
8HID
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BU of 8hid by Molmil
HUMAN ERYTHROCYTE CATALSE COMPLEXED WITH BT-Br
Descriptor: (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol, Catalase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lin, H.-Y, Yang, G.-F.
Deposit date:2022-11-19
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A catalase inhibitor: Targeting the NADPH-binding site for castration-resistant prostate cancer therapy.
Redox Biol, 63, 2023
6H38
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BU of 6h38 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
Descriptor: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6RWV
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BU of 6rwv by Molmil
Structure of apo-LmCpfC
Descriptor: Ferrochelatase, GLYCEROL, PHOSPHATE ION, ...
Authors:Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G.
Deposit date:2019-06-06
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6386379 Å)
Cite:Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
5N5G
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BU of 5n5g by Molmil
Crystal structure of di-zinc metallo-beta-lactamase VIM-1
Descriptor: BICINE, Beta-lactamase VIM-1, ZINC ION
Authors:Salimraj, R, Hinchliffe, P, Spencer, J.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
7B73
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BU of 7b73 by Molmil
Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR
Authors:Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A.
Deposit date:2020-12-09
Release date:2021-04-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2.
Febs J., 288, 2021
5K59
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BU of 5k59 by Molmil
Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising antibody
Descriptor: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
Authors:Welin, M, Logan, D.T, Badarau, A, Mirkina, I, Zauner, G, Dolezilkova, I, Nagy, E.
Deposit date:2016-05-23
Release date:2016-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Context matters: The importance of dimerization-induced conformation of the LukGH leukocidin of Staphylococcus aureus for the generation of neutralizing antibodies.
Mabs, 8, 2016
6S0R
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BU of 6s0r by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus complex with nickel, sulfate and chloride
Descriptor: CHLORIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
6ISD
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BU of 6isd by Molmil
Crystal structure of Arabidopsis thaliana HPPD complexed with sulcotrione
Descriptor: 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, W.C, Yang, G.F.
Deposit date:2018-11-16
Release date:2018-11-28
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular insights into the mechanism of 4-hydroxyphenylpyruvate dioxygenase inhibition: enzyme kinetics, X-ray crystallography and computational simulations.
FEBS J., 286, 2019
7AXZ
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BU of 7axz by Molmil
Ku70/80 complex apo form
Descriptor: X-ray repair cross-complementing protein 5, X-ray repair cross-complementing protein 6
Authors:Hnizda, A, Tesina, P, Novak, P, Blundell, T.L.
Deposit date:2020-11-10
Release date:2021-02-10
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:SAP domain forms a flexible part of DNA aperture in Ku70/80.
Febs J., 288, 2021
7E3U
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BU of 7e3u by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU
Descriptor: 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Yang, Y.C, Luo, R.H, Huang, Y.H, Huang, C.Y, Lin, E.S.
Deposit date:2021-02-09
Release date:2022-02-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Bioinorg Chem Appl, 2022, 2022
6S0T
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BU of 6s0t by Molmil
The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, sulfate, soaked with iodide
Descriptor: IODIDE ION, Kanamycin B dioxygenase, NICKEL (II) ION, ...
Authors:Mrugala, B, Porebski, P.J, Niedzialkowska, E, Cymborowski, M.T, Minor, W, Borowski, T.
Deposit date:2019-06-18
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates.
Febs J., 288, 2021
9FXF
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BU of 9fxf by Molmil
VHH variant adression natural cytotoxicity triggering receptor 3
Descriptor: 12-HYDROXYDODECANOIC ACID, PHOSPHATE ION, VHH
Authors:Musil, D, Freire, F.
Deposit date:2024-07-01
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.067 Å)
Cite:On the humanization of VHHs: Prospective case studies, experimental and computational characterization of structural determinants for functionality.
Protein Sci., 33, 2024
9E9B
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BU of 9e9b by Molmil
Crystal structure of L. monocytogenes MenD with Mg2+ and ThDP bound
Descriptor: 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Klein, M, Given, F.M, Ho, N.A.T, Allison, T.M, Johnston, J.M.
Deposit date:2024-11-08
Release date:2025-07-30
Last modified:2025-08-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structures of Listeria monocytogenes MenD in ThDP-bound and in-crystallo captured intermediate I-bound forms.
Acta Crystallogr.,Sect.F, 81, 2025

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