6SSF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ssf by Molmil](/molmil-images/mine/6ssf) | Transaminase with LCS bound | Descriptor: | ForI-LCS, SULFATE ION, [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
|
|
6SSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ssd by Molmil](/molmil-images/mine/6ssd) | Transaminase with PLP bound | Descriptor: | ForI-PLP, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
|
|
6IUO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iuo by Molmil](/molmil-images/mine/6iuo) | Crystal structure of FGFR4 kinase domain in complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide | Authors: | Xu, Y, Liu, Q. | Deposit date: | 2018-11-29 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design. J.Med.Chem., 62, 2019
|
|
5N19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n19 by Molmil](/molmil-images/mine/5n19) | |
6R46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r46 by Molmil](/molmil-images/mine/6r46) | |
5M8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m8h by Molmil](/molmil-images/mine/5m8h) | ATP phosphoribosyltransferase (HisZG ATPPRT) from Psychrobacter arcticus | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | Authors: | Alphey, M.S, Ge, Y, Naismith, J.H, da Silva, R.G. | Deposit date: | 2016-10-28 | Release date: | 2017-09-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Kinetics and Structure of a Cold-Adapted Hetero-Octameric ATP Phosphoribosyltransferase. Biochemistry, 56, 2017
|
|
6SSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sse by Molmil](/molmil-images/mine/6sse) | Transaminase with PMP bound | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ForI-PMP, SULFATE ION | Authors: | Naismith, J.H, Gao, S. | Deposit date: | 2019-09-06 | Release date: | 2020-01-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chem.Commun.(Camb.), 55, 2019
|
|
5N5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n5o by Molmil](/molmil-images/mine/5n5o) | |
8XIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xif by Molmil](/molmil-images/mine/8xif) | The crystal structure of the AEP domain of VACV D5 | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | Authors: | Gan, J, Zhang, W. | Deposit date: | 2023-12-19 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
|
|
8XIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xig by Molmil](/molmil-images/mine/8xig) | The crystal structure of the AEP domain of MPXV E5 | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | Authors: | Gan, J, Zhang, W. | Deposit date: | 2023-12-19 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
|
|
5J3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j3f by Molmil](/molmil-images/mine/5j3f) | NMR solution structure of [Rp, Rp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
|
|
5J3G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j3g by Molmil](/molmil-images/mine/5j3g) | |
3K3J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k3j by Molmil](/molmil-images/mine/3k3j) | P38alpha bound to novel DFG-out compound PF-00416121 | Descriptor: | 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Kazmirski, S.L, DiNitto, J.P. | Deposit date: | 2009-10-02 | Release date: | 2009-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.995 Å) | Cite: | The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay. Chem.Biol.Drug Des., 74, 2009
|
|
8X6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x6b by Molmil](/molmil-images/mine/8x6b) | Crystal structure of immune receptor PVRIG in complex with ligand Nectin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Nectin-2, Transmembrane protein PVRIG | Authors: | Hu, S.T, Han, P, Wang, H, Qi, J.X. | Deposit date: | 2023-11-21 | Release date: | 2024-04-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the immune recognition and selectivity of the immune receptor PVRIG for ligand Nectin-2. Structure, 2024
|
|
5J3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5j3i by Molmil](/molmil-images/mine/5j3i) | NMR solution structure of [Sp, Sp]-PT dsDNA | Descriptor: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | Authors: | Lan, W, Hu, Z, Cao, C. | Deposit date: | 2016-03-30 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
|
|
3K3I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3k3i by Molmil](/molmil-images/mine/3k3i) | p38alpha bound to novel DGF-out compound PF-00215955 | Descriptor: | (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14 | Authors: | Kazmirski, S.L, DiNitto, J.P. | Deposit date: | 2009-10-02 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay. Chem.Biol.Drug Des., 74, 2009
|
|
8OL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ol9 by Molmil](/molmil-images/mine/8ol9) | |
4UW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uw0 by Molmil](/molmil-images/mine/4uw0) | |
1ORR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1orr by Molmil](/molmil-images/mine/1orr) | |
8F0I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f0i by Molmil](/molmil-images/mine/8f0i) | |
6KHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6khy by Molmil](/molmil-images/mine/6khy) | The crystal structure of AsfvAP:AG | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (AGCGTCACCGACGAGGC), DNA(AGCGTCACCGACGAGG), ... | Authors: | Chen, Y.Q, Gan, J.H. | Deposit date: | 2019-07-16 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (3.008 Å) | Cite: | A unique DNA-binding mode of African swine fever virus AP endonuclease. Cell Discov, 6, 2020
|
|
6K9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6k9e by Molmil](/molmil-images/mine/6k9e) | |
6KI3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ki3 by Molmil](/molmil-images/mine/6ki3) | The crystal structure of AsfvAP:dF commplex | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ... | Authors: | Chen, Y, Gan, J. | Deposit date: | 2019-07-17 | Release date: | 2020-05-27 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | A unique DNA-binding mode of African swine fever virus AP endonuclease. Cell Discov, 6, 2020
|
|
4WVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wvd by Molmil](/molmil-images/mine/4wvd) | Identification of a novel FXR ligand that regulates metabolism | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | Authors: | Wang, R, Li, Y. | Deposit date: | 2014-11-05 | Release date: | 2015-02-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism. Nat Commun, 4, 2013
|
|
4X32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x32 by Molmil](/molmil-images/mine/4x32) | Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant. | Descriptor: | 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL | Authors: | Nogly, P, Standfuss, J. | Deposit date: | 2014-11-27 | Release date: | 2015-02-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lipidic cubic phase serial millisecond crystallography using synchrotron radiation. Iucrj, 2, 2015
|
|