4Q08
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q08 by Molmil](/molmil-images/mine/4q08) | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-04-01 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
4MAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4maf by Molmil](/molmil-images/mine/4maf) | Soybean ATP Sulfurylase | Descriptor: | ADENOSINE-5'-PHOSPHOSULFATE, ATP sulfurylase | Authors: | Herrmann, J, Ravilious, G.E, McKinney, S.E, Westfall, C.S, Lee, S.G, Krishnan, H.B, Jez, J.M. | Deposit date: | 2013-08-16 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure and mechanism of soybean ATP sulfurylase and the committed step in plant sulfur assimilation. J.Biol.Chem., 289, 2014
|
|
5IPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ipm by Molmil](/molmil-images/mine/5ipm) | SigmaS-transcription initiation complex with 4-nt nascent RNA | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Liu, B, Zuo, Y, Steitz, T.A. | Deposit date: | 2016-03-09 | Release date: | 2016-03-30 | Last modified: | 2016-06-22 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structures of E. coli sigma S-transcription initiation complexes provide new insights into polymerase mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
1WW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ww3 by Molmil](/molmil-images/mine/1ww3) | Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-D-glucopyranosylamine and N-trifluoroacetyl-beta-D-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase | Descriptor: | Glycogen phosphorylase, muscle form, N-(trifluoroacetyl)-beta-D-glucopyranosylamine, ... | Authors: | Anagnostou, E, Kosmopoulou, M.N, Chrysina, E.D, Leonidas, D.D, Hadjiloi, T, Tiraidis, C, Zographos, S.E, Gyorgydeak, Z, Somsak, L, Docsa, T, Gergely, P, Kolisis, F.N, Oikonomakos, N.G. | Deposit date: | 2004-12-31 | Release date: | 2005-12-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic studies on two bioisosteric analogues, N-acetyl-beta-d-glucopyranosylamine and N-trifluoroacetyl-beta-d-glucopyranosylamine, potent inhibitors of muscle glycogen phosphorylase Bioorg.Med.Chem., 14, 2006
|
|
5C4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c4l by Molmil](/molmil-images/mine/5c4l) | Conformational alternate of sisomicin in complex with APH(2")-IVa | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, (2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-ol, APH(2'')-Id | Authors: | Kaplan, E, Guichou, J.F, Berrou, K, Chaloin, L, Leban, N, Lallemand, P, Barman, T, Serpersu, E.H, Lionne, C. | Deposit date: | 2015-06-18 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Aminoglycoside binding and catalysis specificity of aminoglycoside 2-phosphotransferase IVa: A thermodynamic, structural and kinetic study. Biochim.Biophys.Acta, 1860, 2016
|
|
7AD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ad5 by Molmil](/molmil-images/mine/7ad5) | Crystal structure of the effector AvrLm5-9 from Leptosphaeria maculans | Descriptor: | ACETATE ION, Avirulence protein LmJ1, GLYCEROL, ... | Authors: | Lazar, N, Mesarich, C, Petit-Houdenot, Y, Talbi, N, Li de la Sierra-Gallay, I, Zelie, E, Blondeau, K, Gracy, J, Ollivier, B, van de Wouw, A, Balesdent, M.H, Idnurm, A, van Tilbeurgh, H, Fudal, I. | Deposit date: | 2020-09-14 | Release date: | 2021-10-06 | Last modified: | 2022-07-27 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | A new family of structurally conserved fungal effectors displays epistatic interactions with plant resistance proteins. Plos Pathog., 18, 2022
|
|
3IGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3igv by Molmil](/molmil-images/mine/3igv) | Crystal structure of HCV NS5B polymerase with a novel monocyclic dihydro-pyridinone inhibitor | Descriptor: | N-{3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | Authors: | Zhao, Q, Showalter, R.E, Han, Q, Kissinger, C.R. | Deposit date: | 2009-07-28 | Release date: | 2009-12-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 5,5'- and 6,6'-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase. Bioorg.Med.Chem.Lett., 19, 2009
|
|
7ADF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7adf by Molmil](/molmil-images/mine/7adf) | SFX structure of dehaloperoxidase B in the ferric form | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2020-09-14 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | SFX structure of dehaloperoxidase B in the ferric form to be published
|
|
2N0J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n0j by Molmil](/molmil-images/mine/2n0j) | Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostamycin complex | Descriptor: | RIBOSTAMYCIN, RNA_(27-MER) | Authors: | Duchardt-Ferner, E, Gottstein-Schmidtke, S.R, Weigand, J.E, Ohlenschlaeger, O.E, Wurm, J, Hammann, C, Suess, B, Woehnert, J. | Deposit date: | 2015-03-09 | Release date: | 2016-02-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | What a Difference an OH Makes: Conformational Dynamics as the Basis for the Ligand Specificity of the Neomycin-Sensing Riboswitch. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
6PCK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pck by Molmil](/molmil-images/mine/6pck) | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7 | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | Deposit date: | 2019-06-17 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7ADG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7adg by Molmil](/molmil-images/mine/7adg) | Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin | Descriptor: | 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H. | Deposit date: | 2020-09-14 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.0794636 Å) | Cite: | Comparison of Cocktail Screening in X-Ray Crystallography vs NMR To Be Published
|
|
3IQO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iqo by Molmil](/molmil-images/mine/3iqo) | |
4PZH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pzh by Molmil](/molmil-images/mine/4pzh) | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-03-31 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
7ACP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7acp by Molmil](/molmil-images/mine/7acp) | Serial synchrotron structure of dehaloperoxidase B | Descriptor: | Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A. | Deposit date: | 2020-09-11 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | SFX structure of dehaloperoxidase B in the ferric form to be published
|
|
8CBQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cbq by Molmil](/molmil-images/mine/8cbq) | structure of LEDGF/p75 PWWP domain bound to the H3K36 trimethylated dinucleosome | Descriptor: | Histone H2A, Histone H2B 1.1, Histone H3, ... | Authors: | Koutna, E, Kouba, T, Novacek, J, Veverka, V. | Deposit date: | 2023-01-25 | Release date: | 2023-09-06 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Multivalency of nucleosome recognition by LEDGF. Nucleic Acids Res., 51, 2023
|
|
5C4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c4w by Molmil](/molmil-images/mine/5c4w) | Crystal structure of coxsackievirus A16 | Descriptor: | CHLORIDE ION, POTASSIUM ION, SODIUM ION, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-18 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
|
|
1AQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1aq8 by Molmil](/molmil-images/mine/1aq8) | |
1AS8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1as8 by Molmil](/molmil-images/mine/1as8) | |
5C9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5c9a by Molmil](/molmil-images/mine/5c9a) | Crystal structure of empty coxsackievirus A16 particle | Descriptor: | CHLORIDE ION, POTASSIUM ION, SPHINGOSINE, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-26 | Release date: | 2015-08-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
|
|
1WMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1wms by Molmil](/molmil-images/mine/1wms) | High resolution crystal structure of human Rab9 GTPase: a novel antiviral drug target | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-9A | Authors: | Chen, L, DiGiammarino, E, Zhou, X.E, Wang, Y, Toh, D, Hodge, T.W, Meehan, E.J. | Deposit date: | 2004-07-16 | Release date: | 2004-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | High resolution crystal structure of human Rab9 GTPase: A novel antiviral drug target J.Biol.Chem., 279, 2004
|
|
6U9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u9m by Molmil](/molmil-images/mine/6u9m) | MLL1 SET N3861I/Q3867L bound to inhibitor 16 (TC-5109) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(thiophen-2-yl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
|
|
6PLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pll by Molmil](/molmil-images/mine/6pll) | Crystal structure of the ZIG-8 IG1 homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, Zwei Ig domain protein zig-8 | Authors: | Cheng, S, Ozkan, E. | Deposit date: | 2019-07-01 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Family of neural wiring receptors in bilaterians defined by phylogenetic, biochemical, and structural evidence. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
5BXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bxn by Molmil](/molmil-images/mine/5bxn) | Yeast 20S proteasome beta2-G170A mutant in complex with Bortezomib | Descriptor: | CHLORIDE ION, MAGNESIUM ION, N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-06-09 | Release date: | 2016-06-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Defective immuno- and thymoproteasome assembly causes severe immunodeficiency. Sci Rep, 8, 2018
|
|
8CE8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ce8 by Molmil](/molmil-images/mine/8ce8) | Cytochrome c maturation complex CcmABCDE | Descriptor: | Cytochrome c biogenesis ATP-binding export protein CcmA, Cytochrome c-type biogenesis protein CcmE, Heme exporter protein B, ... | Authors: | Ilcu, L, Zhang, L, Einsle, O. | Deposit date: | 2023-02-01 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.81 Å) | Cite: | Architecture of the Heme-translocating CcmABCD/E complex required for Cytochrome c maturation. Nat Commun, 14, 2023
|
|
1AS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1as7 by Molmil](/molmil-images/mine/1as7) | |