4MR4
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![BU of 4mr4 by Molmil](/molmil-images/mine/4mr4) | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208) | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-17 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain. Proc.Natl.Acad.Sci.USA, 110, 2013
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402D
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![BU of 402d by Molmil](/molmil-images/mine/402d) | 5'-R(*CP*GP*CP*CP*AP*GP*CP*G)-3' | Descriptor: | RNA(5'-R(*CP*GP*CP*CP*AP*GP*CP*G)-3') | Authors: | Jang, S.B, Hung, L.-W, Chi, Y.-I, Holbrook, E.L, Carter, R, Holbrook, S.R. | Deposit date: | 1998-06-04 | Release date: | 1998-06-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of an RNA internal loop consisting of tandem C-A+ base pairs. Biochemistry, 37, 1998
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3QTF
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![BU of 3qtf by Molmil](/molmil-images/mine/3qtf) | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity | Descriptor: | (6S)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1H-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide, DIMETHYL SULFOXIDE, Heat shock protein HSP 90-alpha | Authors: | Zapf, C.W, Bloom, J.D, McBean, J.L, Dushin, R.G, Nittoli, T, Ingalls, C, Sutherland, A.G, Sonye, J.P, Eid, C.N, Golas, J, Liu, H, Boschelli, F, Hu, Y, Vogan, E.M, Levin, J.I. | Deposit date: | 2011-02-22 | Release date: | 2011-04-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.5703 Å) | Cite: | Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity. Bioorg.Med.Chem.Lett., 21, 2011
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5UXQ
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![BU of 5uxq by Molmil](/molmil-images/mine/5uxq) | Structure of anti-HIV trimer apex antibody PGT143 | Descriptor: | PGT143 Fab Heavy Chain, PGT143 Fab Light Chain | Authors: | Kong, L, Wilson, I.A. | Deposit date: | 2017-02-23 | Release date: | 2017-04-19 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic Beta-Hairpin Structure Immunity, 46, 2017
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5UY3
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![BU of 5uy3 by Molmil](/molmil-images/mine/5uy3) | Crystal structure of human Fab PGT144, a broadly reactive and potent HIV-1 neutralizing antibody | Descriptor: | Antibody PGT144 Fab heavy chain, Antibody PGT144 Fab light chain | Authors: | Julien, J.-P, Lee, J.H, Wilson, I.A. | Deposit date: | 2017-02-23 | Release date: | 2017-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure. Immunity, 46, 2017
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4N12
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![BU of 4n12 by Molmil](/molmil-images/mine/4n12) | Crystal structure of human E18D DJ-1 in complex with Cu | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1 | Authors: | Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L. | Deposit date: | 2013-10-03 | Release date: | 2014-03-05 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | DJ-1 Is a Copper Chaperone Acting on SOD1 Activation. J.Biol.Chem., 289, 2014
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4N4C
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![BU of 4n4c by Molmil](/molmil-images/mine/4n4c) | Crystal structure of the C-terminal swapped dimer of a Bovine seminal ribonuclease mutant | Descriptor: | PHOSPHATE ION, Seminal ribonuclease | Authors: | Pica, A, Russo Krauss, I, Merlino, A, Sica, F. | Deposit date: | 2013-10-08 | Release date: | 2013-11-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | The multiple forms of bovine seminal ribonuclease: Structure and stability of a C-terminal swapped dimer. Febs Lett., 587, 2013
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3UPD
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![BU of 3upd by Molmil](/molmil-images/mine/3upd) | 2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus | Descriptor: | Ornithine carbamoyltransferase | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Winsor, J, Dubrovska, I, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-17 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | 2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus. TO BE PUBLISHED
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4N1P
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5VQJ
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4E18
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![BU of 4e18 by Molmil](/molmil-images/mine/4e18) | Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin | Descriptor: | Catenin alpha-1, Vinculin | Authors: | Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I. | Deposit date: | 2012-03-05 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.403 Å) | Cite: | Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin To be Published
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5VTG
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4EI8
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![BU of 4ei8 by Molmil](/molmil-images/mine/4ei8) | |
5VH6
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![BU of 5vh6 by Molmil](/molmil-images/mine/5vh6) | 2.6 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-406) of Elongation Factor G from Bacillus subtilis. | Descriptor: | CHLORIDE ION, Elongation factor G | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-04-12 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | 2.6 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-406) of Elongation Factor G from Bacillus subtilis. To Be Published
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4KKD
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![BU of 4kkd by Molmil](/molmil-images/mine/4kkd) | The X-ray crystal structure of Mannose-binding lectin-associated serine proteinase-3 reveals the structural basis for enzyme inactivity associated with the 3MC syndrome | Descriptor: | IMIDAZOLE, Mannan-binding lectin serine protease 1 | Authors: | Yongqing, T, Wilmann, P.G, Reeve, S.B, Coetzer, T.H, Smith, A.I, Whisstock, J.C, Pike, R.N, Wijeyewickrema, L.C. | Deposit date: | 2013-05-05 | Release date: | 2013-07-03 | Last modified: | 2013-08-21 | Method: | X-RAY DIFFRACTION (2.5991 Å) | Cite: | The X-ray Crystal Structure of Mannose-binding Lectin-associated Serine Proteinase-3 Reveals the Structural Basis for Enzyme Inactivity Associated with the Carnevale, Mingarelli, Malpuech, and Michels (3MC) Syndrome. J.Biol.Chem., 288, 2013
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5VLQ
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![BU of 5vlq by Molmil](/molmil-images/mine/5vlq) | Structure of the TTLL3 Glycylase | Descriptor: | LOC100158544 protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION | Authors: | Garnham, C.P, Yu, I, Li, Y, Roll-Mecak, A. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.285 Å) | Cite: | Crystal structure of tubulin tyrosine ligase-like 3 reveals essential architectural elements unique to tubulin monoglycylases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3UZC
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![BU of 3uzc by Molmil](/molmil-images/mine/3uzc) | Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol | Descriptor: | 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine A2A Receptor | Authors: | Congreve, M, Andrews, S.P, Dore, A.S, Hollenstein, K, Hurrell, E, Langmead, C.J, Mason, J.S, Ng, I.W, Zhukov, A, Weir, M, Marshall, F.H. | Deposit date: | 2011-12-07 | Release date: | 2012-03-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.341 Å) | Cite: | Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design J.Med.Chem., 55, 2012
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4ESI
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![BU of 4esi by Molmil](/molmil-images/mine/4esi) | Structure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamide | Descriptor: | 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide, Ricin | Authors: | Jasheway, K.R, Pruet, J.M, Ryoto, S, Manzano, L.A, Wiget, P.A, Kamat, I, Anslyn, E.V, Monzingo, A.F, Robertus, J.D. | Deposit date: | 2012-04-23 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A. ACS Med Chem Lett, 3, 2012
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4ET8
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![BU of 4et8 by Molmil](/molmil-images/mine/4et8) | Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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4KRR
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![BU of 4krr by Molmil](/molmil-images/mine/4krr) | Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240) | Descriptor: | GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein | Authors: | Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I. | Deposit date: | 2013-05-16 | Release date: | 2013-07-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Structural Studies of Wnts and Identification of an LRP6 Binding Site. Structure, 21, 2013
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5TFW
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![BU of 5tfw by Molmil](/molmil-images/mine/5tfw) | Crystal structure of 10E8 Fab light chain mutant2 against the MPER region of the HIV-1 Env, in complex with T117v2 epitope scaffold | Descriptor: | 1,2-ETHANEDIOL, 10E8 EPITOPE SCAFFOLD T117V2, Antibody 10E8 FAB HEAVY CHAIN, ... | Authors: | Irimia, A, Wilson, I.A. | Deposit date: | 2016-09-26 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.168 Å) | Cite: | Lipid interactions and angle of approach to the HIV-1 viral membrane of broadly neutralizing antibody 10E8: Insights for vaccine and therapeutic design. PLoS Pathog., 13, 2017
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4NWU
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5TNU
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![BU of 5tnu by Molmil](/molmil-images/mine/5tnu) | S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution | Descriptor: | CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ... | Authors: | DuPrez, K.T, Hilario, E, Wang, I, Fan, L. | Deposit date: | 2016-10-14 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA. Anal.Chem., 90, 2018
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4ETB
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![BU of 4etb by Molmil](/molmil-images/mine/4etb) | lysozyme, room temperature, 200 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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5T80
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![BU of 5t80 by Molmil](/molmil-images/mine/5t80) | |