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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5UGI
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7PON
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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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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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6UBQ
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6TZD
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6U1Z
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6U4I
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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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4GJW
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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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4HEO
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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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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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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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7LK5
 | | X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 3 | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-01 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LND
 | | X-ray radiation damage series on Thaumatin at 277K, multi-conformer model, dataset 4 (merged) | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-06 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LPU
 | | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 1 | | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-12 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LQA
 | | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 (merged) | | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-13 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LFG
 | | X-ray radiation damage series on Thaumatin at 277K, crystal structure, dataset 1 | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-01-17 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LJV
 | | X-ray radiation damage series on Thaumatin at 277K, crystal structure, dataset 4 | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin I | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-01-31 | | Release date: | 2022-02-23 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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