8G1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5WUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5wur by Molmil](/molmil-images/mine/5wur) | Crystal structure of SigW in complex with its anti-sigma RsiW, an oxdized form | Descriptor: | Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW | Authors: | Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y. | Deposit date: | 2016-12-20 | Release date: | 2017-03-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW PLoS ONE, 12, 2017
|
|
4DCG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dcg by Molmil](/molmil-images/mine/4dcg) | VACCINIA METHYLTRANSFERASE VP39 MUTANT D182A COMPLEXED WITH M7G AND S-ADENOSYLHOMOCYSTEINE | Descriptor: | 7-METHYLGUANOSINE, S-ADENOSYL-L-HOMOCYSTEINE, VP39 | Authors: | Hu, G, Hodel, A.E, Gershon, P.D, Quiocho, F.A. | Deposit date: | 1998-07-13 | Release date: | 1999-07-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | mRNA cap recognition: dominant role of enhanced stacking interactions between methylated bases and protein aromatic side chains. Proc.Natl.Acad.Sci.USA, 96, 1999
|
|
8DAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dal by Molmil](/molmil-images/mine/8dal) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-3-hydroxypicolinonitrile | Descriptor: | 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carbonitrile, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-13 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
|
|
8DJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8djy by Molmil](/molmil-images/mine/8djy) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one | Descriptor: | (2M)-6-bromo-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxypyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-07-01 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
|
|
8DDE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dde by Molmil](/molmil-images/mine/8dde) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 4-(benzyloxy)-6-bromo-2-(1H-tetrazol-5-yl) yridine-3-ol | Descriptor: | (2M)-6-bromo-3-hydroxy-2-(1H-tetrazol-5-yl)pyridin-4(1H)-one, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-06-17 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
|
|
8DJV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8djv by Molmil](/molmil-images/mine/8djv) | The N-terminal domain of PA endonuclease from the influenza H1N1 viral polymerase in complex with 6-Bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide | Descriptor: | 6-bromo-3-hydroxy-N-methoxy-4-oxo-1,4-dihydropyridine-2-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Kohlbrand, A.J, Stokes, R.W, Karges, J, Seo, H, Sankaran, B, Cohen, S.M. | Deposit date: | 2022-07-01 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Carboxylic Acid Isostere Derivatives of Hydroxypyridinones as Core Scaffolds for Influenza Endonuclease Inhibitors. Acs Med.Chem.Lett., 14, 2023
|
|
4NCM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncm by Molmil](/molmil-images/mine/4ncm) | Influenza polymerase basic protein 2 (PB2) bound to a small-molecule inhibitor | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N,N-dimethyl-L-alaninamide, Polymerase basic protein 2 | Authors: | Jacobs, M.D. | Deposit date: | 2013-10-24 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Discovery of a Novel, First-in-Class, Orally Bioavailable Azaindole Inhibitor (VX-787) of Influenza PB2. J.Med.Chem., 57, 2014
|
|
3Q36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3q36 by Molmil](/molmil-images/mine/3q36) | |
4GC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gc6 by Molmil](/molmil-images/mine/4gc6) | Crystal structure of Dpo4 in complex with N-MC-dAMP opposite dT | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Eoff, R.L, Ketkar, A, Banerjee, S, Zafar, M.K. | Deposit date: | 2012-07-29 | Release date: | 2012-10-24 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.895 Å) | Cite: | Differential furanose selection in the active sites of archaeal DNA polymerases probed by fixed-conformation nucleotide analogues. Biochemistry, 51, 2012
|
|
5DHB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhb by Molmil](/molmil-images/mine/5dhb) | Cooperativity and Downstream Binding in RNA Replication | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RNA (5'-R(*(LCC)P*(TLN)P*(LCG)P*UP*AP*CP*A)-3') | Authors: | Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W. | Deposit date: | 2015-08-30 | Release date: | 2016-12-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5DHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dhc by Molmil](/molmil-images/mine/5dhc) | Cooperativity and Downstream Binding in RNA Replication | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') | Authors: | Zhang, W, Fahrenbach, A.C, Tam, C.P, Szostak, J.W. | Deposit date: | 2015-08-30 | Release date: | 2016-12-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Unusual Base-Pairing Interactions in Monomer-Template Complexes. ACS Cent Sci, 2, 2016
|
|
5XM9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xm9 by Molmil](/molmil-images/mine/5xm9) | |
8QVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qvu by Molmil](/molmil-images/mine/8qvu) | Crystal Structure of ligand ACBI3 in complex with KRAS G12D C118S GDP and pVHL:ElonginC:ElonginB complex | Descriptor: | (2S,4R)-1-[(2S)-2-[4-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2,3-triazol-1-yl]-3-methyl-butanoyl]-N-[(1R)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-2-oxidanyl-ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | Authors: | Wijaya, A.J, Zollman, D, Farnaby, W, Ciulli, A. | Deposit date: | 2023-10-18 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Targeting cancer with small molecule pan-KRAS degraders Biorxiv, 2023
|
|
1T6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t6o by Molmil](/molmil-images/mine/1t6o) | Nucleocapsid-binding domain of the measles virus P protein (amino acids 457-507) in complex with amino acids 486-505 of the measles virus N protein | Descriptor: | linker, phosphoprotein | Authors: | Kingston, R.L, Hamel, D.J, Gay, L.S, Dahlquist, F.W, Matthews, B.W. | Deposit date: | 2004-05-06 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for the attachment of a paramyxoviral polymerase to its template. Proc.Natl.Acad.Sci.USA, 101, 2004
|
|
1YN7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yn7 by Molmil](/molmil-images/mine/1yn7) | Crystal structure of a mouse MHC class I protein, H2-Db, in complex with a mutated peptide (R7A) of the influenza A acid polymerase | Descriptor: | 10-mer peptide from RNA-directed RNA polymerase subunit P2, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | Authors: | Turner, S.J, Kedzierska, K, Komodromou, H, La Gruta, N.L, Dunstone, M.A, Webb, A.I, Webby, R, Walden, H, Xie, W, McCluskey, J, Purcell, A.W, Rossjohn, J, Doherty, P.C. | Deposit date: | 2005-01-24 | Release date: | 2005-06-28 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Lack of prominent peptide-major histocompatibility complex features limits repertoire diversity in virus-specific CD8+ T cell populations Nat.Immunol., 6, 2005
|
|
6QK7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qk7 by Molmil](/molmil-images/mine/6qk7) | Elongator catalytic subcomplex Elp123 lobe | Descriptor: | 5'-DEOXYADENOSINE, Elongator complex protein 1, Elongator complex protein 2, ... | Authors: | Dauden, M.I, Jaciuk, M, Glatt, S. | Deposit date: | 2019-01-28 | Release date: | 2019-07-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Molecular basis of tRNA recognition by the Elongator complex. Sci Adv, 5, 2019
|
|
4NKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nku by Molmil](/molmil-images/mine/4nku) | Structure of Cid1 in complex with its short product ApU | Descriptor: | 5'-R(*AP*U)-3', BROMIDE ION, MAGNESIUM ION, ... | Authors: | Munoz-Tello, P, Gabus, C, Thore, S. | Deposit date: | 2013-11-13 | Release date: | 2013-12-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | A critical switch in the enzymatic properties of the Cid1 protein deciphered from its product-bound crystal structure. Nucleic Acids Res., 42, 2014
|
|
3HHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3hhz by Molmil](/molmil-images/mine/3hhz) | |
6E6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e6v by Molmil](/molmil-images/mine/6e6v) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
6E6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e6w by Molmil](/molmil-images/mine/6e6w) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
6E6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e6x by Molmil](/molmil-images/mine/6e6x) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
6LKX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lkx by Molmil](/molmil-images/mine/6lkx) | The structure of PRRSV helicase | Descriptor: | CITRIC ACID, GLYCEROL, RNA-dependent RNA polymerase, ... | Authors: | Shi, Y.J, Tong, X.H, Peng, G.Q. | Deposit date: | 2019-12-20 | Release date: | 2020-05-27 | Last modified: | 2021-06-09 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | Structural Characterization of the Helicase nsp10 Encoded by Porcine Reproductive and Respiratory Syndrome Virus. J.Virol., 94, 2020
|
|
6E3M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e3m by Molmil](/molmil-images/mine/6e3m) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|
6E3N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6e3n by Molmil](/molmil-images/mine/6e3n) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-4-oxo-6-(o-tolyl)-1,4-dihydropyridine-2-carboxylic acid | Descriptor: | 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | Authors: | Morrison, C.N, Dick, B.L, Credille, C.V, Cohen, S.M. | Deposit date: | 2018-07-14 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease. J.Med.Chem., 62, 2019
|
|