7CV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cv1 by Molmil](/molmil-images/mine/7cv1) | |
5OK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ok7 by Molmil](/molmil-images/mine/5ok7) | Conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus | Descriptor: | GLYCEROL, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | Deposit date: | 2017-07-25 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus. FEBS J., 284, 2017
|
|
5OKS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5oks by Molmil](/molmil-images/mine/5oks) | Non-conservatively refined structure of Gan1D, a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus, in complex with 6-phospho-beta-glucose | Descriptor: | 6-O-phosphono-beta-D-glucopyranose, GLYCEROL, IMIDAZOLE, ... | Authors: | Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | Deposit date: | 2017-07-25 | Release date: | 2017-10-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus. FEBS J., 284, 2017
|
|
7CB0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cb0 by Molmil](/molmil-images/mine/7cb0) | |
5O7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o7b by Molmil](/molmil-images/mine/5o7b) | |
7CB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cb5 by Molmil](/molmil-images/mine/7cb5) | |
6SRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6srh by Molmil](/molmil-images/mine/6srh) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2019-09-05 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117 To Be Published
|
|
6SNO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sno by Molmil](/molmil-images/mine/6sno) | Crystal structures of human PGM1 isoform 2 | Descriptor: | 1-O-phosphono-alpha-D-glucopyranose, Phosphoglucomutase-1, ZINC ION | Authors: | Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M. | Deposit date: | 2019-08-27 | Release date: | 2020-04-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily. Sci Rep, 10, 2020
|
|
5O1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o1x by Molmil](/molmil-images/mine/5o1x) | Structure of Nrd1 RNA binding domain | Descriptor: | 1,2-ETHANEDIOL, Protein NRD1, THIOCYANATE ION | Authors: | Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B. | Deposit date: | 2017-05-19 | Release date: | 2017-08-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition. Nucleic Acids Res., 45, 2017
|
|
5O87
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o87 by Molmil](/molmil-images/mine/5o87) | Crystal structure of wild type Aplysia californica AChBP in complex with nicotine | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dawson, A, Hunter, W.N, de Souza, J.O, Trumper, P. | Deposit date: | 2017-06-12 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Engineering a surrogate human heteromeric alpha / beta glycine receptor orthosteric site exploiting the structural homology and stability of acetylcholine-binding protein. Iucrj, 6, 2019
|
|
6SSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ssp by Molmil](/molmil-images/mine/6ssp) | Structure of the pentameric ligand-gated ion channel ELIC in complex with a NAM nanobody | Descriptor: | CALCIUM ION, Cys-loop ligand-gated ion channel, NANOBODY 21, ... | Authors: | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | Deposit date: | 2019-09-09 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site. Elife, 9, 2020
|
|
5O39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o39 by Molmil](/molmil-images/mine/5o39) | Human Brd2(BD2) mutant in complex with ME | Descriptor: | (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, CHLORIDE ION, ... | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
5O3F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o3f by Molmil](/molmil-images/mine/5o3f) | Human Brd2(BD2) mutant in complex with ET-Am1 | Descriptor: | (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide, (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol, Bromodomain-containing protein 2, ... | Authors: | Runcie, A.C, Chan, K.-H, Ciulli, A. | Deposit date: | 2017-05-23 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
|
|
7CGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cgw by Molmil](/molmil-images/mine/7cgw) | Complex structure of PD-1 and tislelizumab Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ... | Authors: | Hong, Y, Feng, Y.C, Liu, Y. | Deposit date: | 2020-07-02 | Release date: | 2021-04-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage. Febs Open Bio, 11, 2021
|
|
6SW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sw5 by Molmil](/molmil-images/mine/6sw5) | Crystal structure of the human S-adenosylmethionine synthetase 1 (ligand-free form) | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, S-adenosylmethionine synthase isoform type-1 | Authors: | Panmanee, J, Antoyuk, S.V, Hasnain, S.S. | Deposit date: | 2019-09-19 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis of the dominant inheritance of hypermethioninemia associated with the Arg264His mutation in the MAT1A gene. Acta Crystallogr D Struct Biol, 76, 2020
|
|
6SWN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6swn by Molmil](/molmil-images/mine/6swn) | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH iBET-BD1 (GSK778) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4, ... | Authors: | Chung, C. | Deposit date: | 2019-09-22 | Release date: | 2020-04-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Selective targeting of BD1 and BD2 of the BET proteins in cancer and immunoinflammation. Science, 368, 2020
|
|
6SWT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6swt by Molmil](/molmil-images/mine/6swt) | |
6SX1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sx1 by Molmil](/molmil-images/mine/6sx1) | Structure of Rib Standard, a Rib domain from Lactobacillus acidophilus | Descriptor: | Surface protein | Authors: | Cooper, R.E.M, Griffiths, S.C, Turkenburg, J.P, Bateman, A, Potts, J.R. | Deposit date: | 2019-09-24 | Release date: | 2019-12-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Defining the remarkable structural malleability of a bacterial surface protein Rib domain implicated in infection. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
7CB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cb6 by Molmil](/molmil-images/mine/7cb6) | |
6SEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6seq by Molmil](/molmil-images/mine/6seq) | Lemur tyrosine kinase 3 (LMTK3) | Descriptor: | Serine/threonine-protein kinase LMTK3 | Authors: | Roe, S.M, Owen, R. | Deposit date: | 2019-07-30 | Release date: | 2020-11-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The structure-function relationship of oncogenic LMTK3. Sci Adv, 6, 2020
|
|
5O5F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o5f by Molmil](/molmil-images/mine/5o5f) | Crystal structure of the human BRPF1 bromodomain in complex with BZ038 | Descriptor: | 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-06-01 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.302 Å) | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
|
|
5O5H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5o5h by Molmil](/molmil-images/mine/5o5h) | |
6SFB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sfb by Molmil](/molmil-images/mine/6sfb) | EED in complex with a triazolopyrimidine | Descriptor: | GLYCEROL, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED | Authors: | Read, J.A. | Deposit date: | 2019-08-01 | Release date: | 2019-09-25 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Rapid Identification of Novel Allosteric PRC2 Inhibitors. Acs Chem.Biol., 14, 2019
|
|
5ODB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5odb by Molmil](/molmil-images/mine/5odb) | Crystal structure of the RA-associated mAb D10 (chimeric Fab fragment) | Descriptor: | D10 Fab fragment - heavy chain, D10 Fab fragment - light chain, GLYCEROL, ... | Authors: | Dobritzsch, D, Ge, C, Holmdahl, R, Amara, K, Malmstrom, V. | Deposit date: | 2017-07-05 | Release date: | 2018-07-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural Basis of Cross-Reactivity of Anti-Citrullinated Protein Antibodies. Arthritis Rheumatol, 71, 2019
|
|
6SXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sxj by Molmil](/molmil-images/mine/6sxj) | |