5XI1
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![BU of 5xi1 by Molmil](/molmil-images/mine/5xi1) | Structural Insight of Flavonoids binding to CAG repeat RNA that causes Huntington's Disease (HD) and Spinocerebellar Ataxia (SCAs) | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, RNA (5'-R(P*CP*CP*GP*CP*AP*GP*CP*GP*G)-3') | Authors: | Tawani, A, Mishra, S.K, Khan, E, Kumar, A. | Deposit date: | 2017-04-25 | Release date: | 2018-08-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Myricetin Reduces Toxic Level of CAG Repeats RNA in Huntington's Disease (HD) and Spino Cerebellar Ataxia (SCAs). ACS Chem. Biol., 13, 2018
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6O4Y
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![BU of 6o4y by Molmil](/molmil-images/mine/6o4y) | Structure of HLA-A2:01 with peptide MM91 | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Ying, G, Bitra, A, Zajonc, D.M. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients. Front Immunol, 10, 2019
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4WR2
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![BU of 4wr2 by Molmil](/molmil-images/mine/4wr2) | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2014-10-22 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site To be published
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6O53
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![BU of 6o53 by Molmil](/molmil-images/mine/6o53) | Structure of HLA-A2:01 with peptide MM96 | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Ying, G, Bitra, A, Zajonc, D.M. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Anin silico-in vitroPipeline Identifying an HLA-A*02:01+KRAS G12V+Spliced Epitope Candidate for a Broad Tumor-Immune Response in Cancer Patients. Front Immunol, 10, 2019
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7B83
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![BU of 7b83 by Molmil](/molmil-images/mine/7b83) | Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc | Descriptor: | 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, 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: | 2020-12-12 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | 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
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8FBO
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![BU of 8fbo by Molmil](/molmil-images/mine/8fbo) | |
8FBJ
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![BU of 8fbj by Molmil](/molmil-images/mine/8fbj) | |
8FBN
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![BU of 8fbn by Molmil](/molmil-images/mine/8fbn) | |
8FBI
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![BU of 8fbi by Molmil](/molmil-images/mine/8fbi) | |
8FBK
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7UFV
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![BU of 7ufv by Molmil](/molmil-images/mine/7ufv) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-23 | Release date: | 2022-05-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands. J.Med.Chem., 66, 2023
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7CTH
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![BU of 7cth by Molmil](/molmil-images/mine/7cth) | Cryo-EM structure of dengue virus serotype 2 in complex with the scFv fragment of the broadly neutralizing antibody EDE1 C10 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Core protein, Single Chain Variable Fragment | Authors: | Zhang, X, Sharma, A, Duquerroy, S, Zhou, Z.H, Rey, F.A. | Deposit date: | 2020-08-19 | Release date: | 2021-12-01 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The epitope arrangement on flavivirus particles contributes to Mab C10's extraordinary neutralization breadth across Zika and dengue viruses. Cell, 184, 2021
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6B9O
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![BU of 6b9o by Molmil](/molmil-images/mine/6b9o) | Structure of GH 38 Jack Bean alpha-mannosidase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ZINC ION, ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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8WDV
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![BU of 8wdv by Molmil](/molmil-images/mine/8wdv) | Photosynthetic LH1-RC complex from the purple sulfur bacterium Allochromatium vinosum purified by Ca2+-DEAE | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, Antenna complex alpha/beta subunit, ... | Authors: | Tani, K, Kanno, R, Harada, A, Kobayashi, A, Minamino, A, Nakamura, N, Ji, X.-C, Purba, E.R, Hall, M, Yu, L.-J, Madigan, M.T, Mizoguchi, A, Iwasaki, K, Humbel, B.M, Kimura, Y, Wang-Otomo, Z.-Y. | Deposit date: | 2023-09-16 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.24 Å) | Cite: | High-resolution structure and biochemical properties of the LH1-RC photocomplex from the model purple sulfur bacterium, Allochromatium vinosum. Commun Biol, 7, 2024
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6B9P
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![BU of 6b9p by Molmil](/molmil-images/mine/6b9p) | Structure of GH 38 Jack Bean alpha-mannosidase in complex with a 36-valent iminosugar cluster inhibitor | Descriptor: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-mannosidase from Canavalia ensiformis (jack bean), ... | Authors: | Howard, E, Cousido-Siah, A, Lepage, M, Bodlenner, A, Mitschler, A, Meli, A, De Riccardis, F, Izzo, I, Podjarny, A, Compain, P. | Deposit date: | 2017-10-11 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Structural Basis of Outstanding Multivalent Effects in Jack Bean alpha-Mannosidase Inhibition. Angew. Chem. Int. Ed. Engl., 57, 2018
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8G1P
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![BU of 8g1p by Molmil](/molmil-images/mine/8g1p) | Co-crystal structure of Compound 11 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | Descriptor: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Ghimire Rijal, S, Wurz, R.P, Vaish, A. | Deposit date: | 2023-02-02 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation. Nat Commun, 14, 2023
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8G1Q
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![BU of 8g1q by Molmil](/molmil-images/mine/8g1q) | Co-crystal structure of Compound 1 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | Descriptor: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | Authors: | Ghimire Rijal, S, Wurz, R.P, Vaish, A. | Deposit date: | 2023-02-02 | Release date: | 2023-07-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.73 Å) | Cite: | Affinity and cooperativity modulate ternary complex formation to drive targeted protein degradation. Nat Commun, 14, 2023
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6MSX
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![BU of 6msx by Molmil](/molmil-images/mine/6msx) | Iron containing ferritin at 1.43A | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | Authors: | Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S. | Deposit date: | 2018-10-18 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements To Be Published
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6N7F
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![BU of 6n7f by Molmil](/molmil-images/mine/6n7f) | 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD. | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, ... | Authors: | Minasov, G, Shuvalova, L, Shabalin, I.G, Grabowski, M, Olphie, A, Cardona-Correa, A, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-11-27 | Release date: | 2018-12-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.90 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus pyogenes in Complex with FAD. To Be Published
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6MX9
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![BU of 6mx9 by Molmil](/molmil-images/mine/6mx9) | Lysozyme bound to 3-Aminophenol | Descriptor: | 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ... | Authors: | Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S. | Deposit date: | 2018-10-30 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements To Be Published
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6PY1
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![BU of 6py1 by Molmil](/molmil-images/mine/6py1) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, C-type lectin domain family 10 member A, ... | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2019-07-28 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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8GNK
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![BU of 8gnk by Molmil](/molmil-images/mine/8gnk) | CryoEM structure of cytosol-facing, substrate-bound ratGAT1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ... | Authors: | Nayak, S.R, Joseph, D, Penmatsa, A. | Deposit date: | 2022-08-24 | Release date: | 2023-05-31 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structure of GABA transporter 1 reveals substrate recognition and transport mechanism. Nat.Struct.Mol.Biol., 30, 2023
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6PUV
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![BU of 6puv by Molmil](/molmil-images/mine/6puv) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin | Descriptor: | C-type lectin domain family 10 member A, CALCIUM ION | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2019-07-18 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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6QDJ
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![BU of 6qdj by Molmil](/molmil-images/mine/6qdj) | Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin | Descriptor: | 1,4-BUTANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Meinhart, A, Clausen, T, Arnese, R. | Deposit date: | 2019-01-02 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.884 Å) | Cite: | Molecular features of the UNC-45 chaperone critical for binding and folding muscle myosin. Nat Commun, 10, 2019
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4YNE
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![BU of 4yne by Molmil](/molmil-images/mine/4yne) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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