7DZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dzk by Molmil](/molmil-images/mine/7dzk) | Fabp protein after hv | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
|
|
7DZL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dzl by Molmil](/molmil-images/mine/7dzl) | A69C-M71L mutant of Fabp protein | Descriptor: | Fatty acid-binding protein, liver, PALMITIC ACID | Authors: | Li, H, Yu, L.-J, Liu, X, Shen, J.-R, Wang, J. | Deposit date: | 2021-01-25 | Release date: | 2022-07-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Excited-state intermediates in a designer protein encoding a phototrigger caught by an X-ray free-electron laser. Nat.Chem., 14, 2022
|
|
6I8K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6i8k by Molmil](/molmil-images/mine/6i8k) | Dye type peroxidase Aa from Streptomyces lividans: 164 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
|
|
4O0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o0l by Molmil](/molmil-images/mine/4o0l) | |
5WR6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wr6 by Molmil](/molmil-images/mine/5wr6) | Thermolysin, liganded form with cryo condition 2 | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | Deposit date: | 2016-11-29 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation Acta Crystallogr D Struct Biol, 73, 2017
|
|
5WR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wr2 by Molmil](/molmil-images/mine/5wr2) | Thermolysin, SFX liganded form with oil-based carrier | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | Deposit date: | 2016-11-29 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation Acta Crystallogr D Struct Biol, 73, 2017
|
|
5WR5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wr5 by Molmil](/molmil-images/mine/5wr5) | Thermolysin, liganded form with cryo condition 1 | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, TETRAETHYLENE GLYCOL, ... | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | Deposit date: | 2016-11-29 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation Acta Crystallogr D Struct Biol, 73, 2017
|
|
5WR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wr4 by Molmil](/molmil-images/mine/5wr4) | Thermolysin, SFX unliganded form with oil-based carrier | Descriptor: | CALCIUM ION, Thermolysin, ZINC ION | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | Deposit date: | 2016-11-29 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation Acta Crystallogr D Struct Biol, 73, 2017
|
|
5WR3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wr3 by Molmil](/molmil-images/mine/5wr3) | Thermolysin, SFX liganded form with water-based carrier | Descriptor: | CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ... | Authors: | Kunishima, N, Naitow, H, Matsuura, Y. | Deposit date: | 2016-11-29 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation Acta Crystallogr D Struct Biol, 73, 2017
|
|
6ACR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6acr by Molmil](/molmil-images/mine/6acr) | Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-59638 | Descriptor: | Activin receptor type-1, N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine, SULFATE ION | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2018-07-27 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Bis-Heteroaryl Pyrazoles: Identification of Orally Bioavailable Inhibitors of Activin Receptor-Like Kinase-2 (R206H). Chem. Pharm. Bull., 67, 2019
|
|
2GBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2gbs by Molmil](/molmil-images/mine/2gbs) | NMR structure of Rpa0253 from Rhodopseudomonas palustris. Northeast structural genomics consortium target RpR3 | Descriptor: | Hypothetical protein Rpa0253 | Authors: | Ramelot, T.A, Cort, J.R, Conover, K, Chen, Y, Ma, L.C, Ciano, M, Xiao, R, Acton, T.B, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2006-03-11 | Release date: | 2006-04-11 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structural genomics reveals EVE as a new ASCH/PUA-related domain. Proteins, 75, 2009
|
|
6BAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bak by Molmil](/molmil-images/mine/6bak) | The structure of the Stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-13 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
|
|
6BAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6baf by Molmil](/molmil-images/mine/6baf) | Structure of the chromophore binding domain of Stigmatella aurantiaca phytochrome P1, wild-type | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-12 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
|
|
6BAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bap by Molmil](/molmil-images/mine/6bap) | Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-14 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
|
|
6BAY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bay by Molmil](/molmil-images/mine/6bay) | Stigmatella aurantiaca bacterial phytochrome P1, PAS-GAF-PHY T289H mutant, room temperature structure | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-16 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
|
|
7ZY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zy3 by Molmil](/molmil-images/mine/7zy3) | Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F. | Deposit date: | 2022-05-23 | Release date: | 2023-06-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
|
|
7Z3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z3e by Molmil](/molmil-images/mine/7z3e) | XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with hydroquinone NrdI from Bacillus cereus | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, MANGANESE (II) ION, Protein NrdI, ... | Authors: | John, J, Lebrette, H, Aurelius, O, Hogbom, M. | Deposit date: | 2022-03-02 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography. Elife, 11, 2022
|
|
7Z3D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7z3d by Molmil](/molmil-images/mine/7z3d) | XFEL structure of Class Ib ribonucleotide reductase dimanganese(II) NrdF in complex with oxidized NrdI from Bacillus cereus | Descriptor: | FLAVIN MONONUCLEOTIDE, MANGANESE (II) ION, Protein NrdI, ... | Authors: | John, J, Lebrette, H, Aurelius, O, Hogbom, M. | Deposit date: | 2022-03-02 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-controlled reorganization and flavin strain within the ribonucleotide reductase R2b-NrdI complex monitored by serial femtosecond crystallography. Elife, 11, 2022
|
|
6BAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bao by Molmil](/molmil-images/mine/6bao) | Stigmatella aurantiaca phytochrome photosensory core module, wild type | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-14 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
|
|
8A2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a2p by Molmil](/molmil-images/mine/8a2p) | Room-temperature structure of the stabilised A2A-LUAA47070 complex determined by synchrotron serial crystallography | Descriptor: | 4-(3,3-dimethylbutanoylamino)-3,5-bis(fluoranyl)-~{N}-(1,3-thiazol-2-yl)benzamide, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | Deposit date: | 2022-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
|
|
8A2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a2o by Molmil](/molmil-images/mine/8a2o) | Room-temperature structure of the stabilised A2A-Theophylline complex determined by synchrotron serial crystallography | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... | Authors: | Moraes, I, Kwan, T.O.C, Axford, D. | Deposit date: | 2022-06-06 | Release date: | 2023-08-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography. J.Appl.Crystallogr., 56, 2023
|
|
3WUM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wum by Molmil](/molmil-images/mine/3wum) | |
7PZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pz1 by Molmil](/molmil-images/mine/7pz1) | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535 | Descriptor: | 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ... | Authors: | Scaletti, E.R, Helleday, T, Stenmark, P. | Deposit date: | 2021-10-11 | Release date: | 2022-11-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1. Chemmedchem, 18, 2023
|
|
7DFP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dfp by Molmil](/molmil-images/mine/7dfp) | Human dopamine D2 receptor in complex with spiperone | Descriptor: | 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, D(2) dopamine receptor,Soluble cytochrome b562, FabH, ... | Authors: | Im, D, Shimamura, T, Iwata, S. | Deposit date: | 2020-11-09 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the dopamine D 2 receptor in complex with the antipsychotic drug spiperone. Nat Commun, 11, 2020
|
|
3WUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wul by Molmil](/molmil-images/mine/3wul) | |