5ECE
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![BU of 5ece by Molmil](/molmil-images/mine/5ece) | Tankyrase 1 with Phthalazinone 1 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | Authors: | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | Deposit date: | 2015-10-20 | Release date: | 2015-11-25 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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6BHW
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![BU of 6bhw by Molmil](/molmil-images/mine/6bhw) | B. subtilis SsbA | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Single-stranded DNA-binding protein A | Authors: | Dubiel, K.D, Myers, A.R, Satyshur, K.A, Keck, J.L. | Deposit date: | 2017-10-31 | Release date: | 2018-12-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.208 Å) | Cite: | Structural Mechanisms of Cooperative DNA Binding by Bacterial Single-Stranded DNA-Binding Proteins. J. Mol. Biol., 431, 2019
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6WY5
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![BU of 6wy5 by Molmil](/molmil-images/mine/6wy5) | CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... | Authors: | Khan, J.A. | Deposit date: | 2020-05-12 | Release date: | 2020-10-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.898 Å) | Cite: | Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020
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5Z6Z
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![BU of 5z6z by Molmil](/molmil-images/mine/5z6z) | Crystal structure of human DUX4 homeodomains bound to DNA | Descriptor: | DNA (5'-D(*CP*CP*AP*CP*TP*AP*AP*CP*CP*TP*AP*AP*TP*CP*AP*CP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*GP*TP*GP*AP*TP*TP*AP*GP*GP*TP*TP*AP*GP*TP*GP*G)-3'), Double homeobox protein 4 | Authors: | Li, Y.Y, Wu, B.X, Gan, J.H. | Deposit date: | 2018-01-26 | Release date: | 2018-10-31 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for multiple gene regulation by human DUX4. Biochem. Biophys. Res. Commun., 505, 2018
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6A5W
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![BU of 6a5w by Molmil](/molmil-images/mine/6a5w) | FXR-LBD with HNC143 and SRC1 | Descriptor: | 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | Authors: | Wang, N, Liu, J. | Deposit date: | 2018-06-25 | Release date: | 2018-10-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding J. Biol. Chem., 293, 2018
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5UKQ
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![BU of 5ukq by Molmil](/molmil-images/mine/5ukq) | Structure of unliganded anti-gp120 CD4bs antibody DH522.2 Fab | Descriptor: | DH522.2 Fab fragment heavy chain, DH522.2 Fab fragment light chain, GLYCEROL | Authors: | Nicely, N.I. | Deposit date: | 2017-01-23 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Initiation of HIV neutralizing B cell lineages with sequential envelope immunizations. Nat Commun, 8, 2017
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5EBT
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![BU of 5ebt by Molmil](/molmil-images/mine/5ebt) | Tankyrase 1 with Phthalazinone 2 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | Authors: | Kazmirski, S.L, Johannes, J. | Deposit date: | 2015-10-19 | Release date: | 2016-03-02 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering. Bioorg.Med.Chem.Lett., 25, 2015
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3B5H
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![BU of 3b5h by Molmil](/molmil-images/mine/3b5h) | |
3A5U
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![BU of 3a5u by Molmil](/molmil-images/mine/3a5u) | Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex | Descriptor: | DNA (31-MER), Single-stranded DNA-binding protein | Authors: | Kaushal, P.S, Manjunath, G.P, Sekar, K, Muniyappa, K, Vijayan, M. | Deposit date: | 2009-08-12 | Release date: | 2010-08-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Promiscuity and specificity in DNA binding to SSB: Insights from the structure of the Mycobacterium smegmatis SSB-ssDNA complex. To be Published, 2009
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2JR7
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![BU of 2jr7 by Molmil](/molmil-images/mine/2jr7) | Solution structure of human DESR1 | Descriptor: | DPH3 homolog, ZINC ION | Authors: | Wu, F, Wu, J, Shi, Y. | Deposit date: | 2007-06-21 | Release date: | 2008-03-25 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of human DESR1, a CSL zinc-binding protein Proteins, 71, 2008
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7NHL
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![BU of 7nhl by Molmil](/molmil-images/mine/7nhl) | VgaA-LC, an antibiotic resistance ABCF, in complex with 70S ribosome from Staphylococcus aureus | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Crowe-McAuliffe, C, Murina, V, Hauryliuk, V, Wilson, D.N. | Deposit date: | 2021-02-10 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens. Nat Commun, 12, 2021
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7NHN
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![BU of 7nhn by Molmil](/molmil-images/mine/7nhn) | VgaL, an antibiotic resistance ABCF, in complex with 70S ribosome from Listeria monocytogenes | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Crowe-McAuliffe, C, Turnbull, K.J, Hauryliuk, V, Wilson, D.N. | Deposit date: | 2021-02-10 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens. Nat Commun, 12, 2021
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7NHM
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![BU of 7nhm by Molmil](/molmil-images/mine/7nhm) | 70S ribosome from Staphylococcus aureus | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Crowe-McAuliffe, C, Murina, V, Hauryliuk, V, Wilson, D.N. | Deposit date: | 2021-02-10 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens. Nat Commun, 12, 2021
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7NHK
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![BU of 7nhk by Molmil](/molmil-images/mine/7nhk) | LsaA, an antibiotic resistance ABCF, in complex with 70S ribosome from Enterococcus faecalis | Descriptor: | 1,4-DIAMINOBUTANE, 16S rRNA, 23S rRNA, ... | Authors: | Crowe-McAuliffe, C, Kasari, M, Hauryliuk, V.H, Wilson, D.N. | Deposit date: | 2021-02-10 | Release date: | 2021-05-05 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of ABCF-mediated resistance to pleuromutilin, lincosamide, and streptogramin A antibiotics in Gram-positive pathogens. Nat Commun, 12, 2021
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6UM5
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![BU of 6um5 by Molmil](/molmil-images/mine/6um5) | Cryo-EM structure of HIV-1 neutralizing antibody DH270 UCA3 in complex with CH848 10.17DT Env | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Acharya, P, Henderson, R.C, Saunders, K.O, Haynes, B.F. | Deposit date: | 2019-10-09 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation. Science, 366, 2019
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6RLR
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![BU of 6rlr by Molmil](/molmil-images/mine/6rlr) | Crystal structure of CD9 large extracellular loop | Descriptor: | CD9 antigen | Authors: | Neviani, V, Kroon-Batenburg, L, Lutz, M, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P. | Deposit date: | 2019-05-02 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F. Life Sci Alliance, 3, 2020
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7DRT
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![BU of 7drt by Molmil](/molmil-images/mine/7drt) | Human Wntless in complex with Wnt3a | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | Deposit date: | 2020-12-29 | Release date: | 2021-07-14 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structure of human Wntless in complex with Wnt3a. Nat Commun, 12, 2021
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7JUP
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![BU of 7jup by Molmil](/molmil-images/mine/7jup) | Structure of human TRPA1 in complex with antagonist compound 21 | Descriptor: | 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 | Authors: | Rohou, A, Rouge, L. | Deposit date: | 2020-08-20 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J.Med.Chem., 64, 2021
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8IK2
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![BU of 8ik2 by Molmil](/molmil-images/mine/8ik2) | RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis | Descriptor: | (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase | Authors: | Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T. | Deposit date: | 2023-02-28 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis Acs Catalysis, 13, 2023
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3FH7
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![BU of 3fh7 by Molmil](/molmil-images/mine/3fh7) | |
5XGP
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![BU of 5xgp by Molmil](/molmil-images/mine/5xgp) | structure of Sizzled from Xenopus laevis at 2.08 angstroms resolution | Descriptor: | CHLORIDE ION, SULFATE ION, Secreted Xwnt8 inhibitor sizzled | Authors: | Liu, H, Li, Z, Xu, F. | Deposit date: | 2017-04-15 | Release date: | 2017-08-23 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.077 Å) | Cite: | The crystal structure of full-length Sizzled from Xenopus laevis yields insights into Wnt-antagonistic function of secreted Frizzled-related proteins J. Biol. Chem., 292, 2017
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3FH5
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![BU of 3fh5 by Molmil](/molmil-images/mine/3fh5) | |
6UM6
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![BU of 6um6 by Molmil](/molmil-images/mine/6um6) | Cryo-EM structure of HIV-1 neutralizing antibody DH270.6 in complex with CH848 10.17DT Env | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Acharya, P, Henderson, R.C, Saunder, K.O, Haynes, B.F. | Deposit date: | 2019-10-09 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation. Science, 366, 2019
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6UM7
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![BU of 6um7 by Molmil](/molmil-images/mine/6um7) | Cryo-EM structure of vaccine-elicited HIV-1 neutralizing antibody DH270.mu1 in complex with CH848 10.17DT Env | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH270.mu1 Fab Heavy Chain, DH270.mu1 Fab Light chain, ... | Authors: | Acharya, P, Henderson, R.C, Saunders, K, Haynes, B.F. | Deposit date: | 2019-10-09 | Release date: | 2019-12-18 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Targeted selection of HIV-specific antibody mutations by engineering B cell maturation. Science, 366, 2019
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3FH8
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![BU of 3fh8 by Molmil](/molmil-images/mine/3fh8) | |