8DN3
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1E2J
| The nucleoside binding site of Herpes simplex type 1 thymidine kinase analyzed by X-ray crystallography | Descriptor: | SULFATE ION, THYMIDINE, THYMIDINE KINASE | Authors: | Vogt, J, Scapozza, L, Schulz, G.E. | Deposit date: | 2000-05-23 | Release date: | 2000-11-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nucleoside Binding Site of Herpes Simplex Type 1 Thymidine Kinase Analyzed by X-Ray Crystallography Proteins: Struct.,Funct., Genet., 41, 2000
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3FTF
| Crystal structure of A. aeolicus KsgA in complex with RNA and SAH | Descriptor: | 5'-R(P*AP*AP*CP*CP*GP*UP*AP*GP*GP*GP*GP*AP*AP*CP*CP*UP*GP*CP*GP*GP*UP*U)-3', Dimethyladenosine transferase, POTASSIUM ION, ... | Authors: | Tu, C, Ji, X. | Deposit date: | 2009-01-12 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for Binding of RNA and Cofactor by a KsgA Methyltransferase. Structure, 17, 2009
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4MR4
| Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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5A93
| 293K Joint X-ray Neutron with Cefotaxime: EXPLORING THE MECHANISM OF BETA-LACTAM RING PROTONATION IN THE CLASS A BETA-LACTAMASE ACYLATION MECHANISM USING NEUTRON AND X-RAY CRYSTALLOGRAPHY | Descriptor: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | Deposit date: | 2015-07-17 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | NEUTRON DIFFRACTION (1.598 Å), X-RAY DIFFRACTION | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography. J.Med.Chem., 59, 2016
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8QD7
| Wdyg1p from W. dermatitidis catalyzes polyketide shortening in the biosynthesis of DHN-melanin | Descriptor: | Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD8
| Wdyg1p in complex with 1,3-Dihydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3-diol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QD9
| Wdyg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein, naphthalene-1,3,6,8-tetrol | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QDB
| Wdyg1p Ser256DHA (PSF) | Descriptor: | 1,2-ETHANEDIOL, Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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8QDA
| Wdyg1p Ser256DHA (PMSF) | Descriptor: | 1,2-ETHANEDIOL, TRIETHYLENE GLYCOL, Yellowish-green 1-like protein | Authors: | Schmalhofer, M, Vagstad, A.L, Zhou, Q, Bode, H.B, Groll, M. | Deposit date: | 2023-08-28 | Release date: | 2024-03-13 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Polyketide Trimming Shapes Dihydroxynaphthalene-Melanin and Anthraquinone Pigments. Adv Sci, 11, 2024
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1DJ2
| STRUCTURES OF ADENYLOSUCCINATE SYNTHETASE FROM TRITICUM AESTIVUM AND ARABIDOPSIS THALIANA | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, GUANOSINE-5'-DIPHOSPHATE | Authors: | Prade, L, Cowan-Jacob, S.W, Chemla, P, Potter, S, Ward, E, Fonne-Pfister, R. | Deposit date: | 1999-12-01 | Release date: | 2000-03-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of adenylosuccinate synthetase from Triticum aestivum and Arabidopsis thaliana. J.Mol.Biol., 296, 2000
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3B9D
| Crystal structure of Vibrio harveyi chitinase A complexed with pentasaccharide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A | Authors: | Songsiriritthigul, C, Aguda, A.H, Robinson, R.C, Suginta, W. | Deposit date: | 2007-11-05 | Release date: | 2008-04-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism J.Struct.Biol., 162, 2008
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5FE1
| Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1) | Descriptor: | 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B | Authors: | Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-12-16 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain. J.Med.Chem., 59, 2016
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6VLT
| Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Shah, M.B. | Deposit date: | 2020-01-25 | Release date: | 2020-09-30 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism. Mol.Pharmacol., 98, 2020
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1DY4
| CBH1 IN COMPLEX WITH S-PROPRANOLOL | Descriptor: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, ... | Authors: | Stahlberg, J, Henriksson, H, Divne, C, Isaksson, R, Pettersson, G, Johansson, G, Jones, T.A. | Deposit date: | 2000-01-26 | Release date: | 2000-12-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Enantiomer Binding and Separation of a Common Beta-Blocker: Crystal Structure of Cellobiohydrolase Cel7A with Bound (S)-Propranolol at 1.9 A Resolution J.Mol.Biol., 305, 2001
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8D7U
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6VZA
| Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, CHLORIDE ION, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-02-28 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
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8D7Y
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7ZTR
| Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, W232F mutant | Descriptor: | Carotenoid-binding protein | Authors: | Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O. | Deposit date: | 2022-05-11 | Release date: | 2022-10-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Silkworm carotenoprotein as an efficient carotenoid extractor, solubilizer and transporter. Int.J.Biol.Macromol., 223, 2022
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7SFQ
| EmrE S64V Mutant Bound to tetra(4-fluorophenyl)phosphonium at pH 8.0 | Descriptor: | Multidrug transporter EmrE, tetrakis(4-fluorophenyl)phosphanium | Authors: | Shcherbakov, A.A, Spreacker, P.J, Dregni, A.J, Henzler-Wildman, K.A, Hong, M. | Deposit date: | 2021-10-04 | Release date: | 2022-03-02 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | High-pH structure of EmrE reveals the mechanism of proton-coupled substrate transport. Nat Commun, 13, 2022
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2BJA
| Crystal Analysis of 1-Pyrroline-5-Carboxylate Dehydrogenase from Thermus with bound NADH | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE, ... | Authors: | Inagaki, E, Tahirov, T.H. | Deposit date: | 2005-02-01 | Release date: | 2006-03-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Thermus Thermophilus Delta1-Pyrroline-5-Carboxylate Dehydrogenase. J.Mol.Biol., 362, 2006
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1ECF
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6VXV
| Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-02-24 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
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8UUE
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6W0S
| Crystal structure of substrate free cytochrome P450 NasF5053 from Streptomyces sp. NRRL F-5053 | Descriptor: | BROMIDE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | Deposit date: | 2020-03-02 | Release date: | 2020-11-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines. Nat Commun, 11, 2020
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