6YD9
 
 | | Ecoli GyrB24 with inhibitor 16a | | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | | Deposit date: | 2020-03-20 | | Release date: | 2020-12-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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8T63
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8T62
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8T61
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6MV1
 | | 2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form) | | Descriptor: | Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H. | | Deposit date: | 2018-10-24 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
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8TXS
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6MV2
 | | 2.05A resolution structure of the CS-b5R domains of human Ncb5or (NADP+ form) | | Descriptor: | Cytochrome b5 reductase 4, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Lovell, S, Mehzabeen, N, Battaile, K.P, Benson, D.R, Cooper, A, Gao, P, Zhu, H. | | Deposit date: | 2018-10-24 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structures of the naturally fused CS and cytochrome b5reductase (b5R) domains of Ncb5or reveal an expanded CS fold, extensive CS-b5R interactions and productive binding of the NAD(P)+nicotinamide ring.
Acta Crystallogr D Struct Biol, 75, 2019
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6Y86
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7TTZ
 | | Heterodimeric IgA Fc in complex with Staphylococcus aureus protein SSL7 | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Boulanger, M.J, Verstraete, M, Heinkel, F, Escobar, E, Dixit, S, Von Kreudenstein, T.S. | | Deposit date: | 2022-02-02 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Engineering a pure and stable heterodimeric IgA for the development of multispecific therapeutics.
Mabs, 14, 2022
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7U9K
 | | Staphylococcus aureus D-alanine-D-alanine ligase in complex with ATP, D-ala-D-ala, Mg2+ and K+ | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanine ligase, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2022-03-10 | | Release date: | 2023-03-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-guided design and synthesis of ATP-competitive N-acyl-substituted sulfamide d-alanine-d-alanine ligase inhibitors.
Bioorg.Med.Chem., 96, 2023
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7CEQ
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7CER
 | | Crystal structure of D-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis | | Descriptor: | Cysteine desulfurase SufS, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CEP
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS from Bacillus subtilis | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Nakamura, R, Yasuhiro, T, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CES
 | | Crystal structure of L-cycloserine-bound form of cysteine desulfurase SufS H121A from Bacillus subtilis | | Descriptor: | (5-hydroxy-6-methyl-4-{[(3-oxo-2,3-dihydro-1,2-oxazol-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Cysteine desulfurase SufS, DI(HYDROXYETHYL)ETHER | | Authors: | Nakamura, R, Takahashi, Y, Fujishiro, T. | | Deposit date: | 2020-06-24 | | Release date: | 2021-06-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cycloserine enantiomers inhibit PLP-dependent cysteine desulfurase SufS via distinct mechanisms.
Febs J., 2022
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7CEO
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6OO8
 | | Dehaloperoxidase B in complex with substrate pentachlorophenol | | Descriptor: | 1,2-ETHANEDIOL, Dehaloperoxidase B, PENTACHLOROPHENOL, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T. | | Deposit date: | 2019-04-22 | | Release date: | 2020-04-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6ONG
 | | Dehaloperoxidate B in complex with substrate 4-F-cresol | | Descriptor: | 1,2-ETHANEDIOL, 4-fluoro-2-methylphenol, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, Malewschik, T, McGuire, A. | | Deposit date: | 2019-04-22 | | Release date: | 2019-09-11 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | The multifunctional globin dehaloperoxidase strikes again: Simultaneous peroxidase and peroxygenase mechanisms in the oxidation of EPA pollutants.
Arch.Biochem.Biophys., 673, 2019
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6SUD
 | | Structure of L320A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylose. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A, ... | | Authors: | Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J. | | Deposit date: | 2019-09-13 | | Release date: | 2020-05-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
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8DAF
 | | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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6SRD
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6SV3
 | | Structure of coproheme-LmCpfC | | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Ferrochelatase, GLYCEROL | | Authors: | Hofbauer, S, Helm, J, Djinovic-Carugo, K, Furtmueller, P.G. | | Deposit date: | 2019-09-17 | | Release date: | 2019-12-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.64000869 Å) | | Cite: | Crystal structures and calorimetry reveal catalytically relevant binding mode of coproporphyrin and coproheme in coproporphyrin ferrochelatase.
Febs J., 287, 2020
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8D6K
 | | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | | Descriptor: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | | Authors: | Jayasinghe, T.J, Ronning, D.R. | | Deposit date: | 2022-06-06 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative.
Front Chem, 10, 2022
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5JPN
 | | Structure of human complement C4 rebuilt using iMDFF | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ... | | Authors: | Croll, T.I, Andersen, G.R. | | Deposit date: | 2016-05-03 | | Release date: | 2016-08-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
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6TO0
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8GW5
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