7CKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cke by Molmil](/molmil-images/mine/7cke) | |
7CKD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ckd by Molmil](/molmil-images/mine/7ckd) | |
7CJW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cjw by Molmil](/molmil-images/mine/7cjw) | Solution structure of monomeric superoxide dismutase 1 with an additional mutation H46W in a crowded environment | Descriptor: | Monomeric Human Cu,Zn Superoxide dismutase | Authors: | Iwakawa, N, Morimoto, D, Walinda, E, Danielsson, J, Shirakawa, M, Sugase, K. | Deposit date: | 2020-07-14 | Release date: | 2021-05-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Transient Diffusive Interactions with a Protein Crowder Affect Aggregation Processes of Superoxide Dismutase 1 beta-Barrel. J.Phys.Chem.B, 125, 2021
|
|
7D0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d0f by Molmil](/molmil-images/mine/7d0f) | cryo-EM structure of a pre-catalytic group II intron RNP | Descriptor: | Group II intron-encoded protein LtrA, RNA (738-MER) | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | Deposit date: | 2020-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing. Nucleic Acids Res., 48, 2020
|
|
7D7N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d7n by Molmil](/molmil-images/mine/7d7n) | Cryo-EM structure of human ABCB6 transporter | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial | Authors: | Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C. | Deposit date: | 2020-10-05 | Release date: | 2020-10-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5.2 Å) | Cite: | Cryo-electron microscopy structure of human ABCB6 transporter. Protein Sci., 29, 2020
|
|
7DFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dfm by Molmil](/molmil-images/mine/7dfm) | |
7DIH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dih by Molmil](/molmil-images/mine/7dih) | |
7DFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dfn by Molmil](/molmil-images/mine/7dfn) | Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with alpha-L-arabinofuranosyl xylotetraose | Descriptor: | CHLORIDE ION, Endo-1,4-beta-xylanase, SODIUM ION, ... | Authors: | Fujimoto, Z, Kishine, N, Kaneko, S. | Deposit date: | 2020-11-09 | Release date: | 2020-12-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86. Appl.Microbiol.Biotechnol., 105, 2021
|
|
7D0G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d0g by Molmil](/molmil-images/mine/7d0g) | Cryo-EM structure of a pre-catalytic group II intron | Descriptor: | Group II intron-encoded protein LtrA, RNA (714-MER) | Authors: | Liu, N, Dong, X.L, Hu, C.X, Zeng, J.W, Wang, J.W, Wang, J, Wang, H.W, Belfort, M. | Deposit date: | 2020-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | Exon and protein positioning in a pre-catalytic group II intron RNP primed for splicing. Nucleic Acids Res., 48, 2020
|
|
7DJQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7djq by Molmil](/molmil-images/mine/7djq) | |
7D7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d7r by Molmil](/molmil-images/mine/7d7r) | Cryo-EM structure of the core domain of human ABCB6 transporter | Descriptor: | ATP-binding cassette sub-family B member 6, mitochondrial | Authors: | Wang, C, Cao, C, Wang, N, Wang, X, Zhang, X.C. | Deposit date: | 2020-10-05 | Release date: | 2020-10-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-electron microscopy structure of human ABCB6 transporter. Protein Sci., 29, 2020
|
|
7DAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dao by Molmil](/molmil-images/mine/7dao) | Crystal structure of native yak lactoperoxidase at 2.28 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Singh, P.K, Ahmad, N, Rani, C, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2020-10-16 | Release date: | 2020-10-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of native yak lactoperoxidase at 2.28 A resolution To Be Published
|
|
1MZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mzp by Molmil](/molmil-images/mine/1mzp) | Structure of the L1 protuberance in the ribosome | Descriptor: | 50s ribosomal protein L1P, MAGNESIUM ION, fragment of 23S rRNA | Authors: | Nikulin, A, Eliseikina, I, Tishchenko, S, Nevskaya, N, Davydova, N, Platonova, O, Piendl, W, Selmer, M, Liljas, A, Zimmermann, R, Garber, M, Nikonov, S. | Deposit date: | 2002-10-09 | Release date: | 2003-01-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure of the L1 protuberance in the ribosome. Nat.Struct.Biol., 10, 2003
|
|
4UUQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uuq by Molmil](/molmil-images/mine/4uuq) | Crystal structure of human mono-glyceride lipase in complex with SAR127303 | Descriptor: | 4-({[(4-chlorophenyl)sulfonyl]amino}methyl)piperidine-1-carboxylic acid, MONOGLYCERIDE LIPASE | Authors: | Griebel, G, Pichat, P, Beeske, S, Leroy, T, Redon, N, Francon, D, Bert, L, Even, L, Lopez-Grancha, M, Tolstykh, T, Sun, F, Yu, Q, Brittain, S, Arlt, H, He, T, Zhang, B, Wiederschain, D, Bertrand, T, Houtman, J, Rak, A, Vallee, F, Michot, N, Auge, F, Menet, V, Bergis, O.E, George, P, Avenet, P, Mikol, V, Didier, M, Escoubet, J. | Deposit date: | 2014-07-30 | Release date: | 2015-01-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Selective Blockade of the Hydrolysis of the Endocannabinoid 2-Arachidonoylglycerol Impairs Learning and Memory Performance While Producing Antinociceptive Activity in Rodents. Sci.Rep., 5, 2015
|
|
7N82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n82 by Molmil](/molmil-images/mine/7n82) | NMR Solution structure of Se0862 | Descriptor: | Biofilm-related protein | Authors: | Zhang, N, LiWang, A.L. | Deposit date: | 2021-06-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Assessment of prediction methods for protein structures determined by NMR in CASP14: Impact of AlphaFold2. Proteins, 89, 2021
|
|
6YNQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
1O3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o3y by Molmil](/molmil-images/mine/1o3y) | Crystal structure of mouse ARF1 (delta17-Q71L), GTP form | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Shiba, T, Kawasaki, M, Takatsu, H, Nogi, T, Matsugaki, N, Igarashi, N, Suzuki, M, Kato, R, Nakayama, K, Wakatsuki, S. | Deposit date: | 2003-05-08 | Release date: | 2003-05-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular mechanism of membrane recruitment of GGA by ARF in lysosomal protein transport Nat.Struct.Biol., 10, 2003
|
|
4WX4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wx4 by Molmil](/molmil-images/mine/4wx4) | Crystal structure of adenovirus 8 protease in complex with a nitrile inhibitor | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCINE, N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide, ... | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (1.03 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
|
|
4WX6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wx6 by Molmil](/molmil-images/mine/4wx6) | Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor | Descriptor: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
|
|
4WX7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wx7 by Molmil](/molmil-images/mine/4wx7) | Crystal structure of adenovirus 8 protease with a nitrile inhibitor | Descriptor: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease | Authors: | Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E. | Deposit date: | 2014-11-13 | Release date: | 2015-01-14 | Last modified: | 2015-01-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-based design and optimization of potent inhibitors of the adenoviral protease. Bioorg.Med.Chem.Lett., 25, 2015
|
|
4X42
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x42 by Molmil](/molmil-images/mine/4x42) | Crystal structure of DEN4 ED3 mutant with epitope two residues substituted from DEN3 ED3 | Descriptor: | Envelope protein E, SULFATE ION | Authors: | Kulkarni, M.R, Islam, M.M, Numoto, N, Elahi, M.M, Ito, N, Kuroda, Y. | Deposit date: | 2014-12-02 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural and biophysical analysis of sero-specific immune responses using epitope grafted Dengue ED3 mutants. Biochim.Biophys.Acta, 1854, 2015
|
|
6YVF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yvf by Molmil](/molmil-images/mine/6yvf) | Structure of SARS-CoV-2 Main Protease bound to AZD6482. | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-28 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
|
|
1NHU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1nhu by Molmil](/molmil-images/mine/1nhu) | Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor | Descriptor: | (2S)-2-[(2,4-DICHLORO-BENZOYL)-(3-TRIFLUOROMETHYL-BENZYL)-AMINO]-3-PHENYL-PROPIONIC ACID, HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE | Authors: | Wang, M, Ng, K.K.S, Cherney, M.M, Chan, L, Yannopoulos, C.G, Bedard, J, Morin, N, Nguyen-Ba, N, Alaoui-Ismaili, M.H, Bethell, R.C, James, M.N.G. | Deposit date: | 2002-12-19 | Release date: | 2003-03-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Non-Nucleoside Analogue Inhibitors Bind to an Allosteric Site on
HCV NS5B Polymerase: Crystal Structures and Mechanism of Inhibition J.Biol.Chem., 278, 2003
|
|
8DOX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dox by Molmil](/molmil-images/mine/8dox) | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-245 | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | Deposit date: | 2022-07-14 | Release date: | 2022-09-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2. Nat Commun, 14, 2023
|
|
5M7M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m7m by Molmil](/molmil-images/mine/5m7m) | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | Descriptor: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | Authors: | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | Deposit date: | 2016-10-28 | Release date: | 2017-08-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors. J. Med. Chem., 60, 2017
|
|