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5DC5
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BU of 5dc5 by Molmil
Crystal structure of D176N HDAC8 in complex with M344
分子名称: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
5DC6
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BU of 5dc6 by Molmil
Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate
分子名称: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ...
著者Decroos, C, Lee, M.S, Christianson, D.W.
登録日2015-08-23
公開日2016-02-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.553 Å)
主引用文献General Base-General Acid Catalysis in Human Histone Deacetylase 8.
Biochemistry, 55, 2016
4R9W
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BU of 4r9w by Molmil
Crystal structure of platelet factor 4 complexed with fondaparinux
分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, Platelet factor 4
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
4R9Y
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BU of 4r9y by Molmil
Crystal structure of KKOFab in complex with platelet factor 4
分子名称: Platelet factor 4, Platelet factor 4 antibody KKO heavy chain, Platelet factor 4 antibody KKO light chain
著者Cai, Z, Zhu, Z, Liu, Q, Greene, M.I.
登録日2014-09-08
公開日2015-12-16
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (4.11 Å)
主引用文献Atomic description of the immune complex involved in heparin-induced thrombocytopenia.
Nat Commun, 6, 2015
6CKC
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BU of 6ckc by Molmil
Structure of PRMT5:MEP50 in complex with LLY-283, a potent and selective inhibitor of PRMT5, with antitumor activity
分子名称: 7-[(5R)-5-C-phenyl-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者Antonysamy, S.
登録日2018-02-27
公開日2018-05-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献LLY-283, a Potent and Selective Inhibitor of Arginine Methyltransferase 5, PRMT5, with Antitumor Activity.
ACS Med Chem Lett, 9, 2018
4J4L
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BU of 4j4l by Molmil
Modular evolution and design of the protein binding interface
分子名称: Interleukin-6, Internalin B,REPEAT MODULES,Variable lymphocyte receptor B
著者Cheong, H.K, Kim, H.J.
登録日2013-02-07
公開日2014-02-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Modular evolution and design of the protein binding interface
To be Published
5CFU
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BU of 5cfu by Molmil
Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin
分子名称: 1,4-BUTANEDIOL, Aminoglycoside Nucleotidyltransferase (2")-Ia, MANGANESE (II) ION, ...
著者Rodionov, D, Bassenden, A.V, Berghuis, A.M.
登録日2015-07-08
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Revisiting the Catalytic Cycle and Kinetic Mechanism of AminoglycosideO-Nucleotidyltransferase(2′′): A Structural and Kinetic Study.
Acs Chem.Biol., 2020
1INR
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BU of 1inr by Molmil
CYTOKINE SYNTHESIS
分子名称: INTERLEUKIN-10
著者Walter, M.R.
登録日1995-07-31
公開日1996-10-14
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of interleukin 10 reveals an interferon gamma-like fold.
Biochemistry, 34, 1995
1RO4
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BU of 1ro4 by Molmil
RDC-derived models of the zinc ribbon domain of human general transcription factor TFIIB (zinc free structures)
分子名称: Transcription initiation factor IIB
著者Ghosh, M, Ikura, M.
登録日2003-12-01
公開日2004-05-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Probing Zn2+-binding effects on the zinc-ribbon domain of human general transcription factor TFIIB.
Biochem.J., 378, 2004
3QZT
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BU of 3qzt by Molmil
Crystal Structure of BPTF bromo in complex with histone H4K16ac - Form II
分子名称: GLYCEROL, Histone H4, Nucleosome-remodeling factor subunit BPTF
著者Li, H, Ruthenburg, A.J, Patel, D.J.
登録日2011-03-07
公開日2011-06-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Recognition of a Mononucleosomal Histone Modification Pattern by BPTF via Multivalent Interactions.
Cell(Cambridge,Mass.), 145, 2011
2OBQ
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BU of 2obq by Molmil
Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
分子名称: Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
1RLY
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BU of 1rly by Molmil
RDC-derived models of the zinc ribbon domain of human general transcription TFIIB (zinc bound structures)
分子名称: Transcription initiation factor IIB, ZINC ION
著者Ghosh, M, Ikura, M.
登録日2003-11-26
公開日2004-05-25
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Probing Zn2+-binding effects on the zinc-ribbon domain of human general transcription factor TFIIB.
Biochem.J., 378, 2004
7WF7
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BU of 7wf7 by Molmil
Cryo-EM of Sphingosine 1-phosphate receptor 1 / Gi complex bound to S1P
分子名称: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者He, Y, Xu, Z.
登録日2021-12-26
公開日2022-01-05
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of sphingosine-1-phosphate receptor 1 activation and biased agonism.
Nat.Chem.Biol., 18, 2022
8GF8
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BU of 8gf8 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8GF9
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BU of 8gf9 by Molmil
Cryo-EM structure of human TRPV1 in cNW11 nanodisc and POPC:POPE:POPG lipids
分子名称: (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
8GFA
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BU of 8gfa by Molmil
Cryo-EM structure of human TRPV1 in complex with the analgesic drug SB-366791
分子名称: (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, ...
著者Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I.
登録日2023-03-07
公開日2023-05-10
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.29 Å)
主引用文献Human TRPV1 structure and inhibition by the analgesic SB-366791.
Nat Commun, 14, 2023
7XBD
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BU of 7xbd by Molmil
Cryo-EM structure of human galanin receptor 2
分子名称: Galanin, Galanin receptor type 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ishimoto, N, Kita, S, Park, S.Y.
登録日2022-03-21
公開日2022-07-13
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Structure of the human galanin receptor 2 bound to galanin and Gq reveals the basis of ligand specificity and how binding affects the G-protein interface.
Plos Biol., 20, 2022
1TIV
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BU of 1tiv by Molmil
STRUCTURAL STUDIES OF HIV-1 TAT PROTEIN
分子名称: HIV-1 TRANSACTIVATOR PROTEIN
著者Bayer, P, Kraft, M, Frank, R, Roesch, P.
登録日1995-02-14
公開日1995-07-31
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural studies of HIV-1 Tat protein.
J.Mol.Biol., 247, 1995
1AWC
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BU of 1awc by Molmil
MOUSE GABP ALPHA/BETA DOMAIN BOUND TO DNA
分子名称: DNA (5'-D(*AP*AP*(BRU)P*GP*AP*CP*CP*GP*GP*AP*AP*GP*TP*AP*(CBR)P*AP*CP*(CBR)P*GP*GP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*GP*(BRU)P*GP*(BRU)P*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP*AP*T)-3'), PROTEIN (GA BINDING PROTEIN ALPHA), ...
著者Batchelor, A.H, Wolberger, C.
登録日1997-10-01
公開日1998-03-18
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The structure of GABPalpha/beta: an ETS domain- ankyrin repeat heterodimer bound to DNA.
Science, 279, 1998
1ZQ3
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BU of 1zq3 by Molmil
NMR Solution Structure of the Bicoid Homeodomain Bound to the Consensus DNA Binding Site TAATCC
分子名称: 5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3', 5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3', Homeotic bicoid protein
著者Baird-Titus, J.M, Rance, M, Clark-Baldwin, K, Ma, J, Vrushank, D.
登録日2005-05-18
公開日2006-02-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure of the native K50 Bicoid homeodomain bound to the consensus TAATCC DNA-binding site.
J.Mol.Biol., 356, 2006
1P63
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Human Acidic Fibroblast Growth Factor. 140 Amino Acid Form with Amino Terminal His Tag and Leu111 Replaced with Ile (L111I)
分子名称: ACIDIC FIBROBLAST GROWTH FACTOR, FORMIC ACID, SULFATE ION
著者Brych, S.R, Kim, J, Logan, T.M, Blaber, M.
登録日2003-04-28
公開日2004-05-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Accommodation of a highly symmetric core within a symmetric protein superfold
Protein Sci., 12, 2003
2ERM
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BU of 2erm by Molmil
Solution structure of a biologically active human FGF-1 monomer, complexed to a hexasaccharide heparin-analogue
分子名称: 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Heparin-binding growth factor 1, ISOPROPYL ALCOHOL
著者Canales, A, Lozano, R, Nieto, P.M, Martin-Lomas, M, Gimenez-Gallego, G, Jimenez-Barbero, J.
登録日2005-10-25
公開日2006-10-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a human FGF-1 monomer, activated by a hexasaccharide heparin-analogue.
Febs J., 273, 2006
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USS
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IL17A complexed to Compound 7
分子名称: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8VDI
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BU of 8vdi by Molmil
Human PU.1 ETS-Domain (165-270) Bound to d(AATAAGAGGAAGTGGG) in Ternary Complex with DB2447
分子名称: 4,4'-[pyridine-2,6-diylbis(methyleneoxy)]di(benzene-1-carboximidamide), DNA (5'-D(*AP*AP*TP*AP*AP*GP*AP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*TP*CP*TP*TP*AP*T)-3'), ...
著者Terrell, J.R, Ogbonna, E.N, Poon, G.M.K, Wilson, W.D.
登録日2023-12-15
公開日2024-09-18
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Single GC base pair recognition by a heterocyclic diamidine: structures, affinities, and dynamics.
Rsc Adv, 14, 2024

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