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1R3C
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BU of 1r3c by Molmil
THE STRUCTURE OF P38ALPHA C162S MUTANT
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 14
Authors:Patel, S.B, Cameron, P.M, Frantz-Wattley, B, O'Neill, E, Becker, J.W, Scapin, G.
Deposit date:2003-10-01
Release date:2004-01-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Lattice stabilization and enhanced diffraction in human p38 alpha crystals by protein engineering.
Biochim.Biophys.Acta, 1696, 2004
7B5N
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BU of 7b5n by Molmil
Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-UBE2L3~Ub~ARIH1.
Descriptor: 5-azanylpentan-2-one, Cullin-1, E3 ubiquitin-protein ligase ARIH1, ...
Authors:Horn-Ghetko, D, Prabu, J.R, Schulman, B.A.
Deposit date:2020-12-05
Release date:2021-02-10
Last modified:2021-03-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
8IFG
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BU of 8ifg by Molmil
Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Cph2, ...
Authors:Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D.
Deposit date:2023-02-17
Release date:2024-01-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Class I histone deacetylase complex: Structure and functional correlates.
Proc Natl Acad Sci U S A, 120, 2023
2IF8
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BU of 2if8 by Molmil
Crystal structure of Inositol Phosphate Multikinase Ipk2 in complex with ADP and Mn2+ from S. cerevisiae
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Inositol polyphosphate multikinase, ...
Authors:Holmes, W, Jogl, G.
Deposit date:2006-09-20
Release date:2006-10-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of inositol phosphate multikinase 2 and implications for substrate specificity.
J.Biol.Chem., 281, 2006
5TFN
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BU of 5tfn by Molmil
CRYSTAL STRUCTURE OF THE ZIKA VIRUS NS2B-NS3 PROTEASE in super-open conformation
Descriptor: NS2B-NS3 Protease CHIMERA,Genome polyprotein
Authors:Aleshin, A.E, Bankston, L, Liddington, R.C.
Deposit date:2016-09-26
Release date:2017-10-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A novel conformation for the Zika virus NS2B-NS3 protease offers new insights into biological regulation and inhibitor design.
To Be Published
4UNO
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BU of 4uno by Molmil
Crystal structure of the ETS domain of human ETV5 in complex with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', CALCIUM ION, ...
Authors:Newman, J.A, Aitkenhead, H, Cooper, C.D.O, Pinkas, D.M, Shrestha, L, Burgess-Brown, N, Kopec, J, Fitzpatrick, F, Tallant, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2014-05-29
Release date:2014-06-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
4UV8
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BU of 4uv8 by Molmil
LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
Descriptor: LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C.
Deposit date:2014-08-05
Release date:2014-09-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
4UUV
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BU of 4uuv by Molmil
Structure of the DNA binding ETS domain of human ETV4 in complex with DNA
Descriptor: 5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*GP)-3', 5'-D(*AP*CP*TP*TP*CP*CP*GP*GP*TP*CP)-3', ETS TRANSLOCATION VARIANT 4
Authors:Newman, J.A, Cooper, C.D.O, Kopec, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
Deposit date:2014-07-31
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
7QO3
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BU of 7qo3 by Molmil
Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid)
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-04-13
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
4WD4
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BU of 4wd4 by Molmil
Crystal structure of human HO1 H25R
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K.
Deposit date:2014-09-06
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
3WEE
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BU of 3wee by Molmil
Structure of the full-length yeast Arp7-Arp9 Heterodimer
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Actin-like protein ARP9, Actin-related protein 7, ...
Authors:Lobsiger, J, Richmond, T.J.
Deposit date:2013-07-06
Release date:2014-02-26
Last modified:2019-12-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of the full-length yeast Arp7-Arp9 heterodimer.
Acta Crystallogr.,Sect.D, 70, 2014
7P35
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BU of 7p35 by Molmil
Structure of the SARS-CoV-2 3CL protease in complex with rupintrivir
Descriptor: 3C-like proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Fabrega-Ferrer, M, Perez-Saavedra, J, Herrera-Morande, A, Coll, M.
Deposit date:2021-07-07
Release date:2021-07-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:Structure and inhibition of SARS-CoV-1 and SARS-CoV-2 main proteases by oral antiviral compound AG7404.
Antiviral Res., 208, 2022
2IEW
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BU of 2iew by Molmil
Crystal structure of Inositol Phosphate Multikinase Ipk2 from S. cerevisiae
Descriptor: CALCIUM ION, Inositol polyphosphate multikinase
Authors:Holmes, W, Jogl, G.
Deposit date:2006-09-19
Release date:2006-10-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of inositol phosphate multikinase 2 and implications for substrate specificity.
J.Biol.Chem., 281, 2006
2OKR
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BU of 2okr by Molmil
Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer
Descriptor: MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14
Authors:Ter Haar, E.
Deposit date:2007-01-17
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
7P1H
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BU of 7p1h by Molmil
Structure of the V. vulnificus ExoY-G-actin-profilin complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Belyy, A, Merino, F, Raunser, S.
Deposit date:2021-07-01
Release date:2021-11-17
Last modified:2021-12-01
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Mechanism of actin-dependent activation of nucleotidyl cyclase toxins from bacterial human pathogens.
Nat Commun, 12, 2021
6K3L
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BU of 6k3l by Molmil
Crystal structure of CX-4945 bound Cka1 from C. neoformans
Descriptor: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, CMGC/CK2 protein kinase, SULFATE ION
Authors:Cho, H.S, Yoo, Y.
Deposit date:2019-05-20
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural analysis of fungal pathogenicity-related casein kinase alpha subunit, Cka1, in the human fungal pathogen Cryptococcus neoformans.
Sci Rep, 9, 2019
8I02
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BU of 8i02 by Molmil
Cryo-EM structure of the SIN3S complex from S. pombe
Descriptor: Chromatin modification-related protein eaf3, Cph1, Histone deacetylase clr6, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
8I03
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BU of 8i03 by Molmil
Cryo-EM structure of the SIN3L complex from S. pombe
Descriptor: Chromatin modification-related protein png2, Histone deacetylase clr6, POTASSIUM ION, ...
Authors:Wang, C, Guo, Z, Zhan, X.
Deposit date:2023-01-10
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Two assembly modes for SIN3 histone deacetylase complexes.
Cell Discov, 9, 2023
1BT7
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BU of 1bt7 by Molmil
THE SOLUTION NMR STRUCTURE OF THE N-TERMINAL PROTEASE DOMAIN OF THE HEPATITIS C VIRUS (HCV) NS3-PROTEIN, FROM BK STRAIN, 20 STRUCTURES
Descriptor: NS3 SERINE PROTEASE, ZINC ION
Authors:Barbato, G, Cicero, D.O, Nardi, M.C, Steinkuhler, C, Cortese, R, De Francesco, R, Bazzo, R.
Deposit date:1998-09-01
Release date:1999-06-22
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the N-terminal proteinase domain of the hepatitis C virus (HCV) NS3 protein provides new insights into its activation and catalytic mechanism.
J.Mol.Biol., 289, 1999
2GHM
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BU of 2ghm by Molmil
Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449
Descriptor: 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14
Authors:Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A.
Deposit date:2006-03-27
Release date:2006-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
7OQH
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BU of 7oqh by Molmil
CryoEM structure of the transcription termination factor Rho from Mycobacterium tuberculosis
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Transcription termination factor Rho
Authors:Saridakis, E, Vishwakarma, R, Lai Kee Him, J, Martin, K, Simon, I, Cohen-Gonsaud, M, Coste, F, Bron, P, Margeat, E, Boudvillain, M.
Deposit date:2021-06-03
Release date:2022-02-09
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM structure of transcription termination factor Rho from Mycobacterium tuberculosis reveals bicyclomycin resistance mechanism.
Commun Biol, 5, 2022
7P2G
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BU of 7p2g by Molmil
Identification of low micromolar SARS-CoV-2 Mpro inhibitors from hits identified by in silico screens
Descriptor: (4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide, 3C-like proteinase
Authors:Rempel, S, Halazonetis, T.D.
Deposit date:2021-07-05
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Non-covalent SARS-CoV-2 M pro inhibitors developed from in silico screen hits.
Sci Rep, 12, 2022
1A3R
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BU of 1a3r by Molmil
FAB FRAGMENT (ANTIBODY 8F5) COMPLEXED WITH PEPTIDE FROM HUMAN RHINOVIRUS (SEROTYPE 2) VIRAL CAPSID PROTEIN VP2 (RESIDUES 156-170)
Descriptor: HUMAN RHINOVIRUS CAPSID PROTEIN VP2, IGG2A 8F5 FAB (HEAVY CHAIN), IGG2A 8F5 FAB (LIGHT CHAIN)
Authors:Tormo, J, Blaas, D, Fita, I.
Deposit date:1998-01-23
Release date:1998-04-29
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a human rhinovirus neutralizing antibody complexed with a peptide derived from viral capsid protein VP2.
EMBO J., 13, 1994
5T1V
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BU of 5t1v by Molmil
Crystal structure of Zika virus NS2B-NS3 protease in apo-form.
Descriptor: NS2B-NS3 protease,NS2B-NS3 protease
Authors:Nocadello, S, Light, S.H, Minasov, G, Shuvalova, L, Cardona-Correa, A.A, Ojeda, I, Vargas, J, Johnson, M.E, Lee, H, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-08-22
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of Zika virus NS2B-NS3 protease in apo-form.
To Be Published
6K1I
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BU of 6k1i by Molmil
Human nucleosome core particle with gammaH2A.X variant
Descriptor: CHLORIDE ION, DNA (147-MER), Histone H2AX, ...
Authors:Sharma, D, De Falco, L, Davey, C.A.
Deposit date:2019-05-10
Release date:2020-01-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019

224572

数据于2024-09-04公开中

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