4Y9O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y9o by Molmil](/molmil-images/mine/4y9o) | PA3825-EAL Metal-Free-Apo Structure - Manganese Co-crystallisation | Descriptor: | PA3825-EAL, PHOSPHATE ION | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-09-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | MucR and PA3825 EAL-phosphodiesterase domains from Pseudomonas aeruginosa suggest roles for three metals in the active site To Be Published
|
|
8URW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8urw by Molmil](/molmil-images/mine/8urw) | Cyanobacterial RNA polymerase elongation complex with NusG and CTP | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, DNA (40-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Qayyum, M.Z, Imashimizu, M, Leanca, M, Vishwakarma, R.K, Bradley Riaz, A, Yuzenkova, Y, Murakami, K.S. | Deposit date: | 2023-10-26 | Release date: | 2023-12-27 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | Structure and function of the Si3 insertion integrated into the trigger loop/helix of cyanobacterial RNA polymerase. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
5KAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kau by Molmil](/molmil-images/mine/5kau) | The structure of SAV2435 bound to RHODAMINE 6G | Descriptor: | GLYCEROL, RHODAMINE 6G, SA2223 protein | Authors: | Moreno, A, Wade, H. | Deposit date: | 2016-06-02 | Release date: | 2016-08-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Solution Binding and Structural Analyses Reveal Potential Multidrug Resistance Functions for SAV2435 and CTR107 and Other GyrI-like Proteins. Biochemistry, 55, 2016
|
|
5C9F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c9f by Molmil](/molmil-images/mine/5c9f) | Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii | Descriptor: | ApRick protease, CHLORIDE ION, SODIUM ION | Authors: | Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A. | Deposit date: | 2015-06-26 | Release date: | 2015-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease. Acta Crystallogr. D Biol. Crystallogr., 71, 2015
|
|
4HWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hww by Molmil](/molmil-images/mine/4hww) | Crystal structure of human Arginase-1 complexed with inhibitor 9 | Descriptor: | Arginase-1, MANGANESE (II) ION, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A. | Deposit date: | 2012-11-09 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.298 Å) | Cite: | Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury. J.Med.Chem., 56, 2013
|
|
8C6M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c6m by Molmil](/molmil-images/mine/8c6m) | |
8C6L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c6l by Molmil](/molmil-images/mine/8c6l) | Human protein kinase CK2 alpha in complex with CK2-TN01 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | Deposit date: | 2023-01-12 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma to be published
|
|
8C6N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c6n by Molmil](/molmil-images/mine/8c6n) | |
5MWP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mwp by Molmil](/molmil-images/mine/5mwp) | The structure of MR in complex with AZD9977. | Descriptor: | 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, Mineralocorticoid receptor, NCOA1 peptide | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-19 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
|
|
5MWY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mwy by Molmil](/molmil-images/mine/5mwy) | The structure of MR in complex with eplerenone. | Descriptor: | Mineralocorticoid receptor, NCOA1, eplerenone | Authors: | Edman, K, Aagaard, A, Backstrom, S. | Deposit date: | 2017-01-20 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Preclinical pharmacology of AZD9977: A novel mineralocorticoid receptor modulator separating organ protection from effects on electrolyte excretion. PLoS ONE, 13, 2018
|
|
5MMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mmg by Molmil](/molmil-images/mine/5mmg) | Crystal structure of CREBBP bromodomain complexed with UT07C | Descriptor: | 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone, CREB-binding protein | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2016-12-09 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
|
|
4Y9S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y9s by Molmil](/molmil-images/mine/4y9s) | |
5CNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cnb by Molmil](/molmil-images/mine/5cnb) | Ultrafast dynamics in myoglobin: 0.5 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
|
|
4Y9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y9x by Molmil](/molmil-images/mine/4y9x) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-3 | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-17 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.637 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
7OGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ogt by Molmil](/molmil-images/mine/7ogt) | Folded elbow of cohesin | Descriptor: | Structural maintenance of chromosomes protein 1, Structural maintenance of chromosomes protein 3 | Authors: | Lee, B.-G, Gonzalez Llamazares, A, Collier, J, Patele, N.J, Nasmyth, K.A, Lowe, J. | Deposit date: | 2021-05-07 | Release date: | 2021-07-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (5.5 Å) | Cite: | Folding of cohesin's coiled coil is important for Scc2/4-induced association with chromosomes. Elife, 10, 2021
|
|
8QB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qb7 by Molmil](/molmil-images/mine/8qb7) | |
5MPN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mpn by Molmil](/molmil-images/mine/5mpn) | Crystal structure of CREBBP bromodomain complexed with FA26 | Descriptor: | 1,2-ETHANEDIOL, 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone, CREB-binding protein | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
|
|
7ZVW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zvw by Molmil](/molmil-images/mine/7zvw) | NuA4 Histone Acetyltransferase Complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Chromatin modification-related protein EAF1, ... | Authors: | Schultz, P, Ben-Shem, A, Frechard, A. | Deposit date: | 2022-05-17 | Release date: | 2023-05-31 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | The structure of the NuA4-Tip60 complex reveals the mechanism and importance of long-range chromatin modification. Nat.Struct.Mol.Biol., 30, 2023
|
|
7EO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eo4 by Molmil](/molmil-images/mine/7eo4) | Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to BAF312 | Descriptor: | 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | He, Y, Xu, Z, Ikuta, T, Inoue, A. | Deposit date: | 2021-04-21 | Release date: | 2022-01-05 | Last modified: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism. Nat.Chem.Biol., 18, 2022
|
|
7AMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7amz by Molmil](/molmil-images/mine/7amz) | Crystal structure of human Butyrylcholinesterase in complex with N-((2S,3R)-4-((2,2-dimethylpropyl)amino)-3-hydroxy-1-phenylbutan-2-yl)-2,2-diphenylacetamide | Descriptor: | 2,2-dimethylpropyl-[(2~{R},3~{S})-3-(2,2-diphenylethanoylamino)-2-oxidanyl-4-phenyl-butyl]azanium, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Pasieka, A, Panek, D, Wieckowska, A. | Deposit date: | 2020-10-10 | Release date: | 2021-05-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Discovery of multifunctional anti-Alzheimer's agents with a unique mechanism of action including inhibition of the enzyme butyrylcholinesterase and gamma-aminobutyric acid transporters. Eur.J.Med.Chem., 218, 2021
|
|
4YFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yfe by Molmil](/molmil-images/mine/4yfe) | Crystal structure of PTP delta Fn1-Fn2 | Descriptor: | Receptor-type tyrosine-protein phosphatase delta | Authors: | Yamagata, A, Fukai, S. | Deposit date: | 2015-02-25 | Release date: | 2015-05-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.972 Å) | Cite: | Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation. Nat Commun, 6, 2015
|
|
6L4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l4q by Molmil](/molmil-images/mine/6l4q) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-B | Descriptor: | (3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase | Authors: | Babbar, P, Sharma, A, Manickam, Y, Mishra, S, Harlos, K. | Deposit date: | 2019-10-19 | Release date: | 2021-05-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
|
|
6L3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l3y by Molmil](/molmil-images/mine/6l3y) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C | Descriptor: | (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ... | Authors: | Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K. | Deposit date: | 2019-10-15 | Release date: | 2021-05-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
|
|
4Y9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y9n by Molmil](/molmil-images/mine/4y9n) | PA3825-EAL Metal-Free-Apo Structure - Magnesium Co-crystallisation | Descriptor: | PA3825-EAL, PHOSPHATE ION | Authors: | Bellini, D, Horrell, S, Wagner, A, Strange, R, Walsh, M.A. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of PA3825 from P. aeruginosa bound to cyclic di-GMP and pGpG: new insights for a potential three-metal catalytic mechanism of EAL domains To Be Published
|
|
3WLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wlb by Molmil](/molmil-images/mine/3wlb) | HLA-A24 in complex with HIV-1 Nef126-10(8T10F) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | Authors: | Shimizu, A, Fukai, S, Yamagata, A, Iwamoto, A, Han, C. | Deposit date: | 2013-11-08 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Switching and emergence of CTL epitopes in HIV-1 infection Retrovirology, 11, 2014
|
|