6C1J
| Crystal Structure of Ketosteroid Isomerase Y32F/Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Yabukarski, F, Pinney, M.M, Herschlag, D. | Deposit date: | 2018-01-04 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.063 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
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6C1X
| Crystal Structure of Ketosteroid Isomerase D40N/D103N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Pinney, M.M, Herschlag, D. | Deposit date: | 2018-01-05 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
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6P44
| Crystal Structure of Ketosteroid Isomerase D38N mutant from Mycobacterium hassiacum (mhKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, GUANIDINE, SULFATE ION, ... | Authors: | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | Deposit date: | 2019-05-25 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Parallel molecular mechanisms for enzyme temperature adaptation. Science, 371, 2021
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6P3L
| Crystal Structure of Ketosteroid Isomerase from Mycobacterium hassiacum (mhKSI) | Descriptor: | GUANIDINE, SULFATE ION, SnoaL-like domain protein | Authors: | Yabukarski, F, Doukov, T, Pinney, M, Herschlag, D. | Deposit date: | 2019-05-23 | Release date: | 2020-05-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.571 Å) | Cite: | Parallel molecular mechanisms for enzyme temperature adaptation. Science, 371, 2021
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6C17
| Crystal Structure of Ketosteroid Isomerase D40N mutant from Pseudomonas Putida (pKSI) bound to 3,4-dinitrophenol | Descriptor: | 3,4-dinitrophenol, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Pinney, M, Herschlag, D. | Deposit date: | 2018-01-04 | Release date: | 2018-07-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural Coupling Throughout the Active Site Hydrogen Bond Networks of Ketosteroid Isomerase and Photoactive Yellow Protein. J. Am. Chem. Soc., 140, 2018
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7RXF
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7RY4
| Multi-conformer model of Ketosteroid Isomerase Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to a transition state analog at 250 K | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-08-24 | Release date: | 2022-11-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Ensemble-function relationships to dissect mechanisms of enzyme catalysis. Sci Adv, 8, 2022
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7RXK
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6UBQ
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6TZD
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6UCW
| Multi-conformer model of Apo Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 250 K | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Steroid Delta-isomerase | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | Deposit date: | 2019-09-17 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles. Proc.Natl.Acad.Sci.USA, 117, 2020
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6U4I
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6U1Z
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6UCN
| Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to Equilenin at 250 K | Descriptor: | CHLORIDE ION, EQUILENIN, MAGNESIUM ION, ... | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | Deposit date: | 2019-09-16 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles. Proc.Natl.Acad.Sci.USA, 117, 2020
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6UCY
| Multi-conformer model of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) bound to 4-Androstenedione at 250 K | Descriptor: | 4-ANDROSTENE-3-17-DIONE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Yabukarski, F, Herschlag, D, Biel, J.T, Fraser, J.S. | Deposit date: | 2019-09-18 | Release date: | 2020-09-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Assessment of enzyme active site positioning and tests of catalytic mechanisms through X-ray-derived conformational ensembles. Proc.Natl.Acad.Sci.USA, 117, 2020
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