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PDB: 17822 件

4MR4
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Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-208)
分子名称: 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4
著者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)
登録日2013-09-17
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
402D
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5'-R(*CP*GP*CP*CP*AP*GP*CP*G)-3'
分子名称: RNA(5'-R(*CP*GP*CP*CP*AP*GP*CP*G)-3')
著者Jang, S.B, Hung, L.-W, Chi, Y.-I, Holbrook, E.L, Carter, R, Holbrook, S.R.
登録日1998-06-04
公開日1998-06-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of an RNA internal loop consisting of tandem C-A+ base pairs.
Biochemistry, 37, 1998
3QTF
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Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
分子名称: (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
著者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.
登録日2011-02-22
公開日2011-04-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5703 Å)
主引用文献Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.
Bioorg.Med.Chem.Lett., 21, 2011
5UXQ
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Structure of anti-HIV trimer apex antibody PGT143
分子名称: PGT143 Fab Heavy Chain, PGT143 Fab Light Chain
著者Kong, L, Wilson, I.A.
登録日2017-02-23
公開日2017-04-19
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic Beta-Hairpin Structure
Immunity, 46, 2017
5UY3
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Crystal structure of human Fab PGT144, a broadly reactive and potent HIV-1 neutralizing antibody
分子名称: Antibody PGT144 Fab heavy chain, Antibody PGT144 Fab light chain
著者Julien, J.-P, Lee, J.H, Wilson, I.A.
登録日2017-02-23
公開日2017-04-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure.
Immunity, 46, 2017
4N12
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Crystal structure of human E18D DJ-1 in complex with Cu
分子名称: 1,2-ETHANEDIOL, COPPER (II) ION, Protein DJ-1
著者Cendron, L, Girotto, S, Bisaglia, M, Tessari, I, Mammi, S, Zanotti, G, Bubacco, L.
登録日2013-10-03
公開日2014-03-05
最終更新日2014-11-12
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献DJ-1 Is a Copper Chaperone Acting on SOD1 Activation.
J.Biol.Chem., 289, 2014
4N4C
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Crystal structure of the C-terminal swapped dimer of a Bovine seminal ribonuclease mutant
分子名称: PHOSPHATE ION, Seminal ribonuclease
著者Pica, A, Russo Krauss, I, Merlino, A, Sica, F.
登録日2013-10-08
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The multiple forms of bovine seminal ribonuclease: Structure and stability of a C-terminal swapped dimer.
Febs Lett., 587, 2013
3UPD
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2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus
分子名称: Ornithine carbamoyltransferase
著者Minasov, G, Halavaty, A, Shuvalova, L, Winsor, J, Dubrovska, I, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-11-17
公開日2011-12-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献2.9 Angstrom Crystal Structure of Ornithine Carbamoyltransferase (ArgF) from Vibrio vulnificus.
TO BE PUBLISHED
4N1P
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Structure of Cyclophilin A in complex with Picolinamide.
分子名称: Peptidyl-prolyl cis-trans isomerase A, pyridine-2-carboxamide
著者Mcnae, I.W, Dornan, J, Walkinshaw, M.D.
登録日2013-10-04
公開日2015-08-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mapping the binding surface of Cyclophilin A.
To be Published
5VQJ
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Discovery of a first GH11 exo-1,4-beta-xylanase from a diverse microbial sugar cane bagasse composting community
分子名称: exo-beta-1,4-xylanase
著者Mello, B.L, Polikarpov, I.
登録日2017-05-09
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Targeted metatranscriptomics of compost-derived consortia reveals a GH11 exerting an unusual exo-1,4-beta-xylanase activity.
Biotechnol Biofuels, 10, 2017
4E18
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Alpha-E-catenin is an autoinhibited molecule that co-activates vinculin
分子名称: Catenin alpha-1, Vinculin
著者Choi, H.-J, Pokutta, S, Cadwell, G.W, Bankston, L.A, Liddington, R.C, Weis, W.I.
登録日2012-03-05
公開日2012-05-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Conformational plasticity of alpha-catenin revealed by binding interactions with vinculin
To be Published
5VTG
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The structure of TamB963-1138 from Escherichia coli reveals a novel hydrophobic Beta-taco fold
分子名称: Translocation and assembly module subunit TamB
著者Grinter, R, Josts, I.
登録日2017-05-17
公開日2017-11-22
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.859 Å)
主引用文献The Structure of a Conserved Domain of TamB Reveals a Hydrophobic beta Taco Fold.
Structure, 25, 2017
4EI8
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Crystal structure of Bacillus cereus TubZ, apo-form
分子名称: Plasmid replication protein RepX
著者Hayashi, I, Hoshino, S.
登録日2012-04-05
公開日2012-08-15
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Filament formation of the FtsZ/tubulin-like protein TubZ from the Bacillus cereus pXO1 plasmid.
J.Biol.Chem., 287, 2012
5VH6
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2.6 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-406) of Elongation Factor G from Bacillus subtilis.
分子名称: CHLORIDE ION, Elongation factor G
著者Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-04-12
公開日2017-04-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献2.6 Angstrom Resolution Crystal Structure of N-terminal Fragment (residues 1-406) of Elongation Factor G from Bacillus subtilis.
To Be Published
4KKD
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BU of 4kkd by Molmil
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
分子名称: IMIDAZOLE, Mannan-binding lectin serine protease 1
著者Yongqing, T, Wilmann, P.G, Reeve, S.B, Coetzer, T.H, Smith, A.I, Whisstock, J.C, Pike, R.N, Wijeyewickrema, L.C.
登録日2013-05-05
公開日2013-07-03
最終更新日2013-08-21
実験手法X-RAY DIFFRACTION (2.5991 Å)
主引用文献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
5VLQ
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BU of 5vlq by Molmil
Structure of the TTLL3 Glycylase
分子名称: LOC100158544 protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION
著者Garnham, C.P, Yu, I, Li, Y, Roll-Mecak, A.
登録日2017-04-25
公開日2017-05-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.285 Å)
主引用文献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
3UZC
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Thermostabilised Adenosine A2A receptor in complex with 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol
分子名称: 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, Adenosine A2A Receptor
著者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.
登録日2011-12-07
公開日2012-03-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.341 Å)
主引用文献Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55, 2012
4ESI
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BU of 4esi by Molmil
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
分子名称: 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide, Ricin
著者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.
登録日2012-04-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A.
ACS Med Chem Lett, 3, 2012
4ET8
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Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者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.
登録日2012-04-24
公開日2012-06-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
4KRR
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Crystal structure of Drosophila WntD N-terminal domain-linker (residues 31-240)
分子名称: GLYCEROL, SODIUM ION, Wnt inhibitor of Dorsal protein
著者Chu, M.L.-H, Choi, H.-J, Ahn, V.E, Daniels, D.L, Nusse, R, Weis, W.I.
登録日2013-05-16
公開日2013-07-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Structural Studies of Wnts and Identification of an LRP6 Binding Site.
Structure, 21, 2013
5TFW
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Crystal structure of 10E8 Fab light chain mutant2 against the MPER region of the HIV-1 Env, in complex with T117v2 epitope scaffold
分子名称: 1,2-ETHANEDIOL, 10E8 EPITOPE SCAFFOLD T117V2, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2016-09-26
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.168 Å)
主引用文献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
4NWU
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Crystal structure of APE1551, an anti-human NGF Fab with a nine amino acid insertion in CDR H1
分子名称: APE1551 Ab Fab heavy chain, APE1551 Ab Fab light chain
著者Verdino, P, Stanfield, R.L, Wilson, I.A.
登録日2013-12-06
公開日2014-10-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Nucleotide insertions and deletions complement point mutations to massively expand the diversity created by somatic hypermutation of antibodies.
J.Biol.Chem., 289, 2014
5TNU
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S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
分子名称: CHLORIDE ION, DNA-dependent ATPase XPBII, GLYCEROL, ...
著者DuPrez, K.T, Hilario, E, Wang, I, Fan, L.
登録日2016-10-14
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Application of Electrochemical Devices to Characterize the Dynamic Actions of Helicases on DNA.
Anal.Chem., 90, 2018
4ETB
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lysozyme, room temperature, 200 kGy dose
分子名称: CHLORIDE ION, Lysozyme C
著者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.
登録日2012-04-24
公開日2012-06-13
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.908 Å)
主引用文献High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
5T80
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Crystal structure of 10E8 Fab in complex with the MPER epitope scaffold T117v2 and phosphatidic acid (06:0 PA)
分子名称: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 10E8 EPITOPE SCAFFOLD T117V2, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Irimia, A, Wilson, I.A.
登録日2016-09-06
公開日2017-03-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献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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