6ED7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ed7 by Molmil](/molmil-images/mine/6ed7) | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 | Descriptor: | 2-[(2-nitrophenyl)sulfanyl]acetohydrazide, 7,8-diamino-pelargonic acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Brown, C.M, Zlitni, S, Chan, J, Brown, E.D, Junop, M.S. | Deposit date: | 2018-08-08 | Release date: | 2019-08-21 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor MAC13772 To Be Published
|
|
6QFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qfr by Molmil](/molmil-images/mine/6qfr) | |
6EH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eh4 by Molmil](/molmil-images/mine/6eh4) | |
6YHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yhv by Molmil](/molmil-images/mine/6yhv) | Structural insights into Pseudomonas aeruginosa Type six secretion system exported effector 8: unliganded Tse8 | Descriptor: | COPPER (II) ION, Tse8 | Authors: | Sainz-Polo, M.A, Capuni, R, Pretre, G, Gonzalez-Magana, A, Lucas, M, Altuna, J, Montanchez, I, Fucini, P, Albesa-Jove, D. | Deposit date: | 2020-03-31 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Structural insights into Pseudomonas aeruginosaType six secretion system exported effector 8. J.Struct.Biol., 212, 2020
|
|
6Q95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q95 by Molmil](/molmil-images/mine/6q95) | |
7SEY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sey by Molmil](/molmil-images/mine/7sey) | M. tb EgtD in complex with SGH | Descriptor: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | Authors: | Sudasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-10-02 | Release date: | 2021-12-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production. Sci Rep, 11, 2021
|
|
7L0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l0k by Molmil](/molmil-images/mine/7l0k) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide) | Descriptor: | 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-11 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7KZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kzy by Molmil](/molmil-images/mine/7kzy) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM778 (3-methyl-N-(1-(5-methyl-1H-pyrazol-3-yl)ethyl)-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | Descriptor: | 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
8GPY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gpy by Molmil](/molmil-images/mine/8gpy) | Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
|
|
6YKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ykj by Molmil](/molmil-images/mine/6ykj) | Crystal structure of YTHDC1 with compound DHU_DC1_125 | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | Deposit date: | 2020-04-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
|
|
7KZ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kz4 by Molmil](/molmil-images/mine/7kz4) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-triazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | Descriptor: | 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-09 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
8GQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gqe by Molmil](/molmil-images/mine/8gqe) | Crystal structure of the W285A mutant of UVR8 in complex with RUP2 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ultraviolet-B receptor UVR8, WD repeat-containing protein RUP2 | Authors: | Wang, Y.D, Wang, L.X, Guan, Z.Y, chang, H.F, Yin, P. | Deposit date: | 2022-08-30 | Release date: | 2022-09-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | RUP2 facilitates UVR8 redimerization via two interfaces. Plant Commun., 4, 2023
|
|
7KYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kyv by Molmil](/molmil-images/mine/7kyv) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide) | Descriptor: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-08 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
7L01
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l01 by Molmil](/molmil-images/mine/7l01) | Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide) | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Deng, X, Phillips, M, Tomchick, D. | Deposit date: | 2020-12-10 | Release date: | 2021-05-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series. J.Med.Chem., 64, 2021
|
|
4YSX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ysx by Molmil](/molmil-images/mine/4ysx) | Crystal structure of Mitochondrial rhodoquinol-fumarate reductase from Ascaris suum with the specific inhibitor NN23 | Descriptor: | Cytochrome b-large subunit, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Harada, S, Shiba, T, Sato, D, Yamamoto, A, Nagahama, M, Yone, A, Inaoka, D.K, Sakamoto, K, Inoue, M, Honma, T, Kita, K. | Deposit date: | 2015-03-17 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria Int J Mol Sci, 16, 2015
|
|
7KQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kqb by Molmil](/molmil-images/mine/7kqb) | SARS-CoV-2 spike glycoprotein:Fab 5A6 complex I | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 5A6 heavy chain, Fab 5A6 light chain, ... | Authors: | Asarnow, D, Charles, C, Cheng, Y. | Deposit date: | 2020-11-14 | Release date: | 2021-05-26 | Last modified: | 2021-06-23 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia. Cell, 184, 2021
|
|
6VVC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vvc by Molmil](/molmil-images/mine/6vvc) | |
5JI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ji4 by Molmil](/molmil-images/mine/5ji4) | Solution structure of the de novo mini protein gEEHE_02 | Descriptor: | W37 | Authors: | Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T. | Deposit date: | 2016-04-21 | Release date: | 2016-09-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Accurate de novo design of hyperstable constrained peptides. Nature, 538, 2016
|
|
4YAP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yap by Molmil](/molmil-images/mine/4yap) | Crystal structure of LigG-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | Glutathione S-transferase homolog, SULFATE ION | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.111 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
|
|
5FLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5flj by Molmil](/molmil-images/mine/5flj) | enzyme-substrate-dioxygen complex of Ni-quercetinase | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, DIMETHYL SULFOXIDE, NICKEL (II) ION, ... | Authors: | Jeoung, J.-H, Nianios, D, Fetzner, S, Dobbek, H. | Deposit date: | 2015-10-26 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.818 Å) | Cite: | Quercetin 2,4-Dioxygenase Activates Dioxygen in a Side-on O2 -Ni Complex. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6RWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rwb by Molmil](/molmil-images/mine/6rwb) | Cryo-EM structure of Yersinia pseudotuberculosis TcaA-TcaB | Descriptor: | Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit,Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit,Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit,Toxin,Toxin complex subunit TcaB,Putative toxin subunit,Putative toxin subunit | Authors: | Roderer, D, Leidreiter, F, Gatsogiannis, C, Meusch, D, Benz, R, Raunser, S. | Deposit date: | 2019-06-04 | Release date: | 2019-10-23 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Common architecture of Tc toxins from human and insect pathogenic bacteria. Sci Adv, 5, 2019
|
|
7KZ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kz3 by Molmil](/molmil-images/mine/7kz3) | Crystal structure of KabA from Bacillus cereus UW85 in complex with the internal aldimine | Descriptor: | 1,2-ETHANEDIOL, Aminotransferase class I/II-fold pyridoxal phosphate-dependent enzyme, SODIUM ION | Authors: | Prasertanan, T, Palmer, D.R.J, Sanders, D.A.R. | Deposit date: | 2020-12-09 | Release date: | 2021-05-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85. J.Struct.Biol., 213, 2021
|
|
6Y22
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y22 by Molmil](/molmil-images/mine/6y22) | RING-DTC domains of Deltex 2, Form 1 | Descriptor: | Probable E3 ubiquitin-protein ligase DTX2, ZINC ION | Authors: | Gabrielssen, M, Buetow, L, Huang, D.T. | Deposit date: | 2020-02-14 | Release date: | 2020-09-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination. Sci Adv, 6, 2020
|
|
8QXJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qxj by Molmil](/molmil-images/mine/8qxj) | Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | Deposit date: | 2023-10-24 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis. Nat Commun, 15, 2024
|
|
7TQ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tq3 by Molmil](/molmil-images/mine/7tq3) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 5c | Descriptor: | 3C-like proteinase, N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | Authors: | Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|