3RHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rhu by Molmil](/molmil-images/mine/3rhu) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | SC_1wnu | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
|
|
3R3Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r3z by Molmil](/molmil-images/mine/3r3z) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
|
|
3R3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r3y by Molmil](/molmil-images/mine/3r3y) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
|
|
3QM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qm4 by Molmil](/molmil-images/mine/3qm4) | Human Cytochrome P450 (CYP) 2D6 - Prinomastat Complex | Descriptor: | Cytochrome P450 2D6, NICKEL (II) ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Wang, A, Stout, C.D, Johnson, E.F. | Deposit date: | 2011-02-03 | Release date: | 2012-02-15 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound. J.Biol.Chem., 287, 2012
|
|
3RI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ri0 by Molmil](/molmil-images/mine/3ri0) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_2cx5_001, GLYCEROL, SULFATE ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
|
|
3R40
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r40 by Molmil](/molmil-images/mine/3r40) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
|
|
3R3X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r3x by Molmil](/molmil-images/mine/3r3x) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate | Descriptor: | CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ... | Authors: | Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F. | Deposit date: | 2011-03-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Mapping the reaction coordinates of enzymatic defluorination. J.Am.Chem.Soc., 133, 2011
|
|
3RIJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rij by Molmil](/molmil-images/mine/3rij) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | GLYCEROL, SC_2cx5 | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-13 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
|
|
3RZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rz4 by Molmil](/molmil-images/mine/3rz4) | |
3SGU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sgu by Molmil](/molmil-images/mine/3sgu) | |
6Q8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q8t by Molmil](/molmil-images/mine/6q8t) | Cryo structure of HEWL at 81 kGy | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C | Authors: | de la Mora, E, Coquelle, N, Bury, C.S, Rosenthal, M, Garman, E.F, Burghammer, M, Colletier, J.P, Weik, M. | Deposit date: | 2018-12-16 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.74008667 Å) | Cite: | Radiation damage and dose limits in serial synchrotron crystallography at cryo- and room temperatures. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6QHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qhz by Molmil](/molmil-images/mine/6qhz) | Time resolved structural analysis of the full turnover of an enzyme - 6788 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QHT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qht by Molmil](/molmil-images/mine/6qht) | Time resolved structural analysis of the full turnover of an enzyme - 376 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qi2 by Molmil](/molmil-images/mine/6qi2) | Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QKW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qkw by Molmil](/molmil-images/mine/6qkw) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.512 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
|
|
6QHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qhy by Molmil](/molmil-images/mine/6qhy) | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.698 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QHS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qhs by Molmil](/molmil-images/mine/6qhs) | Time resolved structural analysis of the full turnover of an enzyme - 564 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QI0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qi0 by Molmil](/molmil-images/mine/6qi0) | Time resolved structural analysis of the full turnover of an enzyme - 9024 ms | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ... | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qi3 by Molmil](/molmil-images/mine/6qi3) | Time resolved structural analysis of the full turnover of an enzyme - 27072 ms | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.739 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qhv by Molmil](/molmil-images/mine/6qhv) | Time resolved structural analysis of the full turnover of an enzyme - 100 ms | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.715 Å) | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing. Science, 365, 2019
|
|
6QKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qks by Molmil](/molmil-images/mine/6qks) | Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo | Descriptor: | CHLORIDE ION, Fluoroacetate dehalogenase | Authors: | Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F. | Deposit date: | 2019-01-30 | Release date: | 2019-06-26 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Substrate-Based Allosteric Regulation of a Homodimeric Enzyme. J.Am.Chem.Soc., 141, 2019
|
|
6QT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qt2 by Molmil](/molmil-images/mine/6qt2) | Radiation damage study on a 16mer DNA segment, structure at 6.2 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
|
|
6QT6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qt6 by Molmil](/molmil-images/mine/6qt6) | Radiation damage study on a 16mer DNA segment, structure at 29.2 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
|
|
6QRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qru by Molmil](/molmil-images/mine/6qru) | X-ray radiation dose series on xylose isomerase - 2.01 MGy | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, MAGNESIUM ION, ... | Authors: | Taberman, H, Bury, C.S, van der Woerd, M.J, Snell, E.H, Garman, E.F. | Deposit date: | 2019-02-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Structural knowledge or X-ray damage? A case study on xylose isomerase illustrating both. J.Synchrotron Radiat., 26, 2019
|
|
6QT1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qt1 by Molmil](/molmil-images/mine/6qt1) | Radiation damage study on a 16mer DNA segment, structure at 0.48 MGy dose | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3') | Authors: | Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F. | Deposit date: | 2019-02-22 | Release date: | 2019-07-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Radiation-damage investigation of a DNA 16-mer. J.Synchrotron Radiat., 26, 2019
|
|