8SQV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sqv by Molmil](/molmil-images/mine/8sqv) | Proteinase K Multiconformer Model at 333K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-05-04 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
|
|
8SOG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sog by Molmil](/molmil-images/mine/8sog) | Proteinase K Multiconformer Model at 313K | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | Authors: | Du, S, Wankowicz, S, Yabukarski, F, Doukov, T, Herschlag, D, Fraser, J.S. | Deposit date: | 2023-04-28 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Refinement of multiconformer ensemble models from multi-temperature X-ray diffraction data. Methods Enzymol., 688, 2023
|
|
5TJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tj3 by Molmil](/molmil-images/mine/5tj3) | Crystal structure of wild type alkaline phosphatase PafA to 1.7A resolution | Descriptor: | Alkaline phosphatase PafA, ZINC ION | Authors: | Lyubimov, A.Y, Sunden, F, Ressl, S, Herschlag, D. | Deposit date: | 2016-10-03 | Release date: | 2016-11-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanistic and Evolutionary Insights from Comparative Enzymology of Phosphomonoesterases and Phosphodiesterases across the Alkaline Phosphatase Superfamily. J.Am.Chem.Soc., 138, 2016
|
|
5TOO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5too by Molmil](/molmil-images/mine/5too) | Crystal structure of alkaline phosphatase PafA T79S, N100A, K162A, R164A mutant | Descriptor: | Alkaline phosphatase PafA, CHLORIDE ION, ZINC ION | Authors: | Lyubimov, A.Y, Sunden, F, AlSadhan, I, Herschlag, D. | Deposit date: | 2016-10-18 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.031 Å) | Cite: | Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution. J. Biol. Chem., 292, 2017
|
|
5TPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tpq by Molmil](/molmil-images/mine/5tpq) | E. coli alkaline phosphatase D101A, D153A, R166S, E322A, K328A mutant | Descriptor: | Alkaline phosphatase, PHOSPHATE ION, ZINC ION | Authors: | Sunden, F, AlSadhan, I, Lyubimov, A.Y, Doukov, T, Swan, J, Herschlag, D. | Deposit date: | 2016-10-20 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution. J. Biol. Chem., 292, 2017
|
|
3T8N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t8n by Molmil](/molmil-images/mine/3t8n) | Crystal structure of ketosteroid isomerase Y16AD103A from Pseudomonas putida | Descriptor: | SULFATE ION, Steroid Delta-isomerase, {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2011-08-01 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase. J.Am.Chem.Soc., 133, 2011
|
|
6UBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ubq by Molmil](/molmil-images/mine/6ubq) | |
6UCW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6TZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tzd by Molmil](/molmil-images/mine/6tzd) | |
6U4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u4i by Molmil](/molmil-images/mine/6u4i) | |
6U1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u1z by Molmil](/molmil-images/mine/6u1z) | |
6UCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
3T8U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t8u by Molmil](/molmil-images/mine/3t8u) | Crystal structure of ketosteroid isomerase Y14AY55FD99A from Pseudomonas testosteroni | Descriptor: | SULFATE ION, Steroid Delta-isomerase | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | Deposit date: | 2011-08-01 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase. J.Am.Chem.Soc., 133, 2011
|
|
3TG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3tg0 by Molmil](/molmil-images/mine/3tg0) | E. coli alkaline phosphatase with bound inorganic phosphate | Descriptor: | Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Bobyr, E, Lassila, J.K, Wiersma-Koch, H.I, Fenn, T.D, Lee, J.J, Nikolic-Hughes, I, Hodgson, K.O, Rees, D.C, Hedman, B, Herschlag, D. | Deposit date: | 2011-08-16 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution analysis of Zn(2+) coordination in the alkaline phosphatase superfamily by EXAFS and x-ray crystallography. J.Mol.Biol., 415, 2012
|
|
8F01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f01 by Molmil](/molmil-images/mine/8f01) | |
8F05
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f05 by Molmil](/molmil-images/mine/8f05) | |
8EZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ezx by Molmil](/molmil-images/mine/8ezx) | Lysozyme Anomalous Dataset at 293 K and 7.1 keV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | Deposit date: | 2022-11-01 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures. Acta Crystallogr D Struct Biol, 79, 2023
|
|
8F0B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0b by Molmil](/molmil-images/mine/8f0b) | Lysozyme Anomalous Dataset at 240 K and 7.1 keV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | Deposit date: | 2022-11-02 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures. Acta Crystallogr D Struct Biol, 79, 2023
|
|
8F07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f07 by Molmil](/molmil-images/mine/8f07) | |
8F03
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f03 by Molmil](/molmil-images/mine/8f03) | |
8F00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f00 by Molmil](/molmil-images/mine/8f00) | Lysozyme Anomalous Dataset at 293 K and 12 keV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | Deposit date: | 2022-11-01 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures. Acta Crystallogr D Struct Biol, 79, 2023
|
|
8EZU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ezu by Molmil](/molmil-images/mine/8ezu) | Lysozyme Anomalous Dataset at 273 K and 7.1 keV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | Deposit date: | 2022-11-01 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures. Acta Crystallogr D Struct Biol, 79, 2023
|
|
8EZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ezp by Molmil](/molmil-images/mine/8ezp) | Lysozyme Anomalous Dataset at 260 K and 7.1 keV | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | Deposit date: | 2022-11-01 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures. Acta Crystallogr D Struct Biol, 79, 2023
|
|
8F06
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f06 by Molmil](/molmil-images/mine/8f06) | |
6UCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|