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6HAJ
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BU of 6haj by Molmil
Crystal structure of PAF - p-sulfonatocalix[8]arene complex
分子名称: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Pc24g00380 protein, sulfonato-calix[8]arene
著者Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B.
登録日2018-08-07
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
2CHY
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BU of 2chy by Molmil
THREE-DIMENSIONAL STRUCTURE OF CHEY, THE RESPONSE REGULATOR OF BACTERIAL CHEMOTAXIS
分子名称: CHEY
著者Mottonen, J.M, Stock, A.M, Stock, J.B, Schutt, C.E.
登録日1990-05-17
公開日1990-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Three-dimensional structure of CheY, the response regulator of bacterial chemotaxis.
Nature, 337, 1989
6HK6
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BU of 6hk6 by Molmil
Human RIOK2 bound to inhibitor
分子名称: 1,2-ETHANEDIOL, 2-naphthalen-2-yl-~{N}-pyridin-2-yl-ethanamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Wang, J, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S, Elkins, J.M.
登録日2018-09-05
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of human RIOK2 bound to a specific inhibitor.
Open Biology, 9, 2019
6H9G
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BU of 6h9g by Molmil
Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 1.
分子名称: Nucleoprotein, Polypeptide loop
著者Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Munier, S, Carlero, D, Naffakh, N, Ortin, J, Martin-Benito, J.
登録日2018-08-03
公開日2020-02-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
5D6X
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BU of 5d6x by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A
分子名称: Lysine-specific demethylase 4A, SULFATE ION
著者Wang, F, Su, Z, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-08-13
公開日2015-11-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.153 Å)
主引用文献Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
6GRA
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BU of 6gra by Molmil
Human AURKA bound to BRD-7880
分子名称: 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase A
著者Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M.
登録日2018-06-10
公開日2019-05-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aurora kinase A bound to BRD-7880
To Be Published
6GNY
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BU of 6gny by Molmil
Crystal structure of the MAJIN-TERB2 heterotetrameric complex
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2
著者Dunce, J.M, Gurusaran, M, Sen, L.T, Davies, O.R.
登録日2018-06-01
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of meiotic telomere attachment to the nuclear envelope by MAJIN-TERB2-TERB1.
Nat Commun, 9, 2018
6HTK
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BU of 6htk by Molmil
X-ray structure of the tryptophan lyase NosL in complex with (R)-(+)-indoline-2-carboxylate
分子名称: 1H-indole-2-carboxylic acid, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ...
著者Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y.
登録日2018-10-04
公開日2018-11-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
6HTO
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BU of 6hto by Molmil
Tryptophan lyase 'empty state'
分子名称: 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, CHLORIDE ION, ...
著者Amara, P, Mouesca, J.M, Bella, M, Martin, L, Saragaglia, C, Gambarelli, S, Nicolet, Y.
登録日2018-10-04
公開日2018-11-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
6HXF
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BU of 6hxf by Molmil
Human STK10 bound to a maleimide inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione, CHLORIDE ION, ...
著者Sorrell, F.J, Salah, E, Serafim, R.A.M, Savitsky, P.A, Krojer, T, Bailey, H.J, Pinkas, D, Burgess-Brown, N.A, von Delft, F, Knapp, S, Arrowsmith, C, Bountra, C, Edwards, A.M, Elkins, J.M.
登録日2018-10-17
公開日2018-10-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Human STK10 bound to a maleimide inhibitor
To Be Published
5E3J
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BU of 5e3j by Molmil
The response regulator RstA is a potential drug target for Acinetobacter baumannii
分子名称: Response regulator RstA
著者Russo, T.A, Manohar, A, Beanan, J.M, Olson, R, MacDonald, U, Graham, J, Umland, T.C.
登録日2015-10-02
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Response Regulator BfmR Is a Potential Drug Target for Acinetobacter baumannii.
Msphere, 1, 2016
6HA4
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BU of 6ha4 by Molmil
Crystal structure of PAF - p-sulfonatocalix[4]arene complex
分子名称: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, GLYCEROL, Pc24g00380 protein
著者Alex, J.M, Rennie, M, Engilberge, S, Batta, G, Crowley, P.B.
登録日2018-08-07
公開日2019-02-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Calixarene-mediated assembly of a small antifungal protein.
Iucrj, 6, 2019
6H5G
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BU of 6h5g by Molmil
Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 3
分子名称: (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid, 3-dehydroquinate dehydratase
著者Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J.
登録日2018-07-24
公開日2019-07-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme.
Org Chem Front, 6, 2019
5D6Y
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BU of 5d6y by Molmil
Crystal structure of double tudor domain of human lysine demethylase KDM4A complexed with histone H3K23me3
分子名称: Lysine-specific demethylase 4A, peptide H3K23me3 (19-28)
著者Wang, F, Su, Z, Miller, M.D, Denu, J.M, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
登録日2015-08-13
公開日2016-02-10
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (2.287 Å)
主引用文献Reader domain specificity and lysine demethylase-4 family function.
Nat Commun, 7, 2016
6GVK
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BU of 6gvk by Molmil
Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e)
分子名称: Dystonin, GLYCEROL, Integrin beta-4
著者Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M.
登録日2018-06-21
公開日2019-03-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes.
Structure, 27, 2019
6I31
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BU of 6i31 by Molmil
Crystal structure of the tick chemokine-binding protein Evasin-3
分子名称: CADMIUM ION, Evasin-3
著者Dias, J.M, Shaw, J.P.
登録日2018-11-02
公開日2019-06-19
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A knottin scaffold directs the CXC-chemokine-binding specificity of tick evasins.
J.Biol.Chem., 294, 2019
5DHV
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BU of 5dhv by Molmil
HIV-1 Rev NTD dimers with variable crossing angles
分子名称: Anti-Rev Antibody Fab single-chain variable fragment, heavy chain, light chain, ...
著者DiMattia, M.A, Watts, N.R, Wingfield, P.T, Grimes, J.M, Stuart, D.I, Steven, A.C.
登録日2015-08-31
公開日2016-06-22
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Structure of HIV-1 Rev Filaments Suggests a Bilateral Model for Rev-RRE Assembly.
Structure, 24, 2016
6I54
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BU of 6i54 by Molmil
Influenza A nucleoprotein docked into 3D helical structure of the wild type ribonucleoprotein complex obtained using cryoEM. Conformation 2.
分子名称: Influenza virus nucleoprotein, Nucleoprotein
著者Coloma, R, Arranz, R, de la Rosa-Trevin, J.M, Sorzano, C.O.S, Carlero, D, Ortin, J, Martin-Benito, J.
登録日2018-11-12
公開日2019-11-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (10 Å)
主引用文献Structural insights into influenza A virus ribonucleoproteins reveal a processive helical track as transcription mechanism.
Nat Microbiol, 5, 2020
6I2Y
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BU of 6i2y by Molmil
Human STK10 bound to Foretinib
分子名称: N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide, Serine/threonine-protein kinase 10
著者Sorrell, F.J, Berger, B.-T, Oerum, S, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M.
登録日2018-11-02
公開日2018-12-12
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Human STK10 bound to GW683134
To Be Published
6I2H
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BU of 6i2h by Molmil
Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
分子名称: CHLORIDE ION, UPF0418 protein FAM164A, [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid, ...
著者Mueller, J.M, Heine, A, Klebe, G.
登録日2018-11-01
公開日2019-11-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal Structure of the Protein-Kinase A catalytic subunit from Cricetulus Griseus in complex with compounds RKp182 and RKp190
To be published
5D9A
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BU of 5d9a by Molmil
Influenza C Virus RNA-dependent RNA Polymerase - Space group P212121
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
著者Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E.
登録日2015-08-18
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
6HTM
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BU of 6htm by Molmil
X-ray structure of the tryptophan lyase NosL in complex with bound tryptamin
分子名称: 2-(1H-INDOL-3-YL)ETHANAMINE, 3-methyl-2-indolic acid synthase, 5'-DEOXYADENOSINE, ...
著者Amara, P, Mouesca, J.M, Bella, M, Saragaglia, C, Gambarelli, S, Nicolet, Y.
登録日2018-10-04
公開日2018-11-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Radical S-Adenosyl-l-methionine Tryptophan Lyase (NosL): How the Protein Controls the Carboxyl Radical •CO2-Migration.
J.Am.Chem.Soc., 140, 2018
6HDP
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BU of 6hdp by Molmil
Human DYRK2 bound to Scorzodihydrostilbene A
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, Scorzodihydrostilbene A
著者Elkins, J.M, Soundararajan, M, Proksch, P, Meijer, L, Vollmar, M, Krojer, T, Bountra, C, Edwards, A.M, Arrowsmith, C, Knapp, S.
登録日2018-08-18
公開日2019-08-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献DYRK2 bound to Scorzodihydrostilbene A
To Be Published
6HG9
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BU of 6hg9 by Molmil
Crystal Structure of the human IL-17RC ECD in complex with human IL-17F, Crystal form II
分子名称: Interleukin-17 receptor C, Interleukin-17F
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2020-03-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020
6HGO
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BU of 6hgo by Molmil
Crystal Structure of human IL-17F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-17F, ...
著者Rondeau, J.M, Goepfert, A.
登録日2018-08-23
公開日2019-11-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Analysis Reveals that the Cytokine IL-17F Forms a Homodimeric Complex with Receptor IL-17RC to Drive IL-17RA-Independent Signaling.
Immunity, 52, 2020

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