7RY4
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![BU of 7ry4 by Molmil](/molmil-images/mine/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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![BU of 7rxk by Molmil](/molmil-images/mine/7rxk) | |
7RXF
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![BU of 7rxf by Molmil](/molmil-images/mine/7rxf) | |
5UGI
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![BU of 5ugi by Molmil](/molmil-images/mine/5ugi) | |
6C17
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![BU of 6c17 by Molmil](/molmil-images/mine/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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6C1X
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![BU of 6c1x by Molmil](/molmil-images/mine/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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6C1J
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![BU of 6c1j by Molmil](/molmil-images/mine/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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6UCN
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![BU of 6ucn by Molmil](/molmil-images/mine/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
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![BU of 6ucy by Molmil](/molmil-images/mine/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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6P44
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![BU of 6p44 by Molmil](/molmil-images/mine/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
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![BU of 6p3l by Molmil](/molmil-images/mine/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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4GJW
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![BU of 4gjw by Molmil](/molmil-images/mine/4gjw) | |
4HEO
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![BU of 4heo by Molmil](/molmil-images/mine/4heo) | |
7PON
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![BU of 7pon by Molmil](/molmil-images/mine/7pon) | |
6UBQ
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![BU of 6ubq by Molmil](/molmil-images/mine/6ubq) | |
6UCW
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![BU of 6ucw by Molmil](/molmil-images/mine/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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![BU of 6u4i by Molmil](/molmil-images/mine/6u4i) | |
6TZD
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![BU of 6tzd by Molmil](/molmil-images/mine/6tzd) | |
6U1Z
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![BU of 6u1z by Molmil](/molmil-images/mine/6u1z) | |
7LU2
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![BU of 7lu2 by Molmil](/molmil-images/mine/7lu2) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 6 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.11 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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7LTD
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![BU of 7ltd by Molmil](/molmil-images/mine/7ltd) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 1 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-19 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.9 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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7LU1
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![BU of 7lu1 by Molmil](/molmil-images/mine/7lu1) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 5 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.06 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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7LTV
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![BU of 7ltv by Molmil](/molmil-images/mine/7ltv) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 3 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (0.95 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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7LU3
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![BU of 7lu3 by Molmil](/molmil-images/mine/7lu3) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.16 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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7LU0
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![BU of 7lu0 by Molmil](/molmil-images/mine/7lu0) | X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 4 | Descriptor: | CALCIUM ION, NITRATE ION, Proteinase K | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | Deposit date: | 2021-02-20 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.01 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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