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6ULG
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BU of 6ulg by Molmil
Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex
Descriptor: Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M.
Deposit date:2019-10-08
Release date:2019-11-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex.
Cell, 179, 2019
6SST
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BU of 6sst by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2B
Descriptor: Alpha-synuclein
Authors:Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
Deposit date:2019-09-09
Release date:2019-12-18
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
4FV0
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BU of 4fv0 by Molmil
Crystal Structure of the ERK2 complexed with EK3
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-28
Release date:2012-08-22
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the ERK2 complexed with EK3
TO BE PUBLISHED
4FV8
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BU of 4fv8 by Molmil
Crystal Structure of the ERK2 complexed with E63
Descriptor: 1,2-ETHANEDIOL, 6-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]-5-(phenylamino)pyrimidin-2-yl}amino)-1,2-dihydro-3H-indazol-3-one, Mitogen-activated protein kinase 1, ...
Authors:Kang, Y.N, Stuckey, J.A, Xie, X.
Deposit date:2012-06-29
Release date:2012-08-29
Last modified:2014-09-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the ERK2 complexed with E63
TO BE PUBLISHED
3UP0
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BU of 3up0 by Molmil
Nuclear receptor DAF-12 from hookworm Ancylostoma ceylanicum in complex with (25S)-delta7-dafachronic acid
Descriptor: (5beta,14beta,17alpha,25S)-3-oxocholest-7-en-26-oic acid, Nuclear receptor coactivator 2, aceDAF-12
Authors:Zhi, X, Zhou, X.E, Melcher, K, Motola, D.L, Gelmedin, V, Hawdon, J, Kliewer, S.A, Mangelsdorf, D.J, Xu, H.E.
Deposit date:2011-11-17
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Conservation of Ligand Binding Reveals a Bile Acid-like Signaling Pathway in Nematodes.
J.Biol.Chem., 287, 2012
2FHY
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BU of 2fhy by Molmil
Structure of human liver FPBase complexed with a novel benzoxazole as allosteric inhibitor
Descriptor: 2,5-DICHLORO-N-(5-CHLORO-1,3-BENZOXAZOL-2-YL)BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION
Authors:Abad-Zapatero, C.
Deposit date:2005-12-27
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Benzoxazole benzenesulfonamides are novel allosteric inhibitors of fructose-1,6-bisphosphatase with a distinct binding mode.
Bioorg.Med.Chem.Lett., 16, 2006
5M36
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BU of 5m36 by Molmil
The molecular tweezer CLR01 stabilizes a disordered protein-protein interface
Descriptor: (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ...
Authors:Bier, D, Ottmann, C.
Deposit date:2016-10-14
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface.
J. Am. Chem. Soc., 139, 2017
8B3I
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BU of 8b3i by Molmil
CRL4CSA-E2-Ub (state 2)
Descriptor: Cullin-4A, DNA damage-binding protein 1, DNA excision repair protein ERCC-8, ...
Authors:Kokic, G, Cramer, P.
Deposit date:2022-09-16
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:C(N)RL4CSA-E2-Ub (state 2)
To Be Published
5KJK
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BU of 5kjk by Molmil
SMYD2 in complex with AZ370
Descriptor: (R,R)-2,3-BUTANEDIOL, 2-[2-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxyphenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide, N-lysine methyltransferase SMYD2, ...
Authors:Ferguson, A.
Deposit date:2016-06-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
4IZ5
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BU of 4iz5 by Molmil
Structure of the complex between ERK2 phosphomimetic mutant and PEA-15
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, ...
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
5KJL
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BU of 5kjl by Molmil
SMYD2 in complex with AZ378
Descriptor: N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ZINC ION
Authors:Ferguson, A.
Deposit date:2016-06-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
6RT0
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BU of 6rt0 by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2A
Descriptor: Alpha-synuclein
Authors:Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
Deposit date:2019-05-22
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
4IZ7
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BU of 4iz7 by Molmil
Structure of Non-Phosphorylated ERK2 bound to the PEA-15 Death Effector Domain
Descriptor: Astrocytic phosphoprotein PEA-15, Mitogen-activated protein kinase 1, SODIUM ION
Authors:Mace, P.D, Robinson, H, Riedl, S.J.
Deposit date:2013-01-29
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of ERK2 bound to PEA-15 reveals a mechanism for rapid release of activated MAPK.
Nat Commun, 4, 2013
6RTB
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BU of 6rtb by Molmil
cryo-em structure of alpha-synuclein fibril polymorph 2B
Descriptor: Alpha-synuclein
Authors:Guerrero-Ferreira, R, Taylor, N.M.I, Arteni, A.A, Melki, R, Meier, B.H, Bockmann, A, Bousset, L, Stahlberg, H.
Deposit date:2019-05-22
Release date:2019-06-26
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Two new polymorphic structures of human full-length alpha-synuclein fibrils solved by cryo-electron microscopy.
Elife, 8, 2019
5UTZ
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BU of 5utz by Molmil
Human IL-2/Fab complex
Descriptor: Fab 5111 heavy chain, Fab 5111 light chain, GLYCEROL, ...
Authors:Jude, K.M, Garcia, K.C.
Deposit date:2017-02-15
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.747 Å)
Cite:A human anti-IL-2 antibody that potentiates regulatory T cells by a structure-based mechanism.
Nat. Med., 24, 2018
4GSB
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BU of 4gsb by Molmil
Monoclinic crystal form of the apo-ERK2
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Pozharski, E, Zhang, J, Shapiro, P.
Deposit date:2012-08-27
Release date:2012-09-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Monoclinic crystal form of the apo-ERK2
TO BE PUBLISHED
6FMI
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BU of 6fmi by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-Hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-oxopropan-2-yl)acetamide (ligand 2)
Descriptor: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
Authors:Soares, P, Lucas, X, Ciulli, A.
Deposit date:2018-01-31
Release date:2018-04-11
Last modified:2018-06-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
8F1G
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BU of 8f1g by Molmil
Crystal structure of human WDR5 in complex with compound WM662
Descriptor: (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ...
Authors:Liu, H.
Deposit date:2022-11-05
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
5KJN
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BU of 5kjn by Molmil
SMYD2 in complex with AZ506
Descriptor: (R,R)-2,3-BUTANEDIOL, 5-[2-[4-[2-(1~{H}-indol-3-yl)ethyl]piperazin-1-yl]phenyl]-~{N}-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide, N-lysine methyltransferase SMYD2, ...
Authors:Ferguson, A.
Deposit date:2016-06-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Design, Synthesis, and Biological Activity of Substrate Competitive SMYD2 Inhibitors.
J. Med. Chem., 59, 2016
7JJH
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BU of 7jjh by Molmil
Crystal structure of the unliganded tandem bromodomain (BD1, BD2) of human TAF1
Descriptor: 1,2-ETHANEDIOL, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-07-25
Release date:2021-01-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
5NAS
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BU of 5nas by Molmil
Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide
Descriptor: 14-3-3 protein zeta/delta, Phosphatidylinositol 4-kinase beta
Authors:Boura, E, Eisenreichova, A.
Deposit date:2017-02-28
Release date:2017-03-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide
To Be Published
7K79
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BU of 7k79 by Molmil
CBF3
Descriptor: Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, Suppressor of kinetochore protein 1
Authors:Ruifang, G, Yawen, B.
Deposit date:2020-09-22
Release date:2021-03-31
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural and dynamic mechanisms of CBF3-guided centromeric nucleosome formation.
Nat Commun, 12, 2021
2G9A
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BU of 2g9a by Molmil
Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
Descriptor: Histone H3, WD-repeat protein 5
Authors:Chai, J, Han, Z, Wang, H, Shen, Y.
Deposit date:2006-03-06
Release date:2006-09-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the specific recognition of methylated histone H3 lysine 4 by the WD-40 protein WDR5
To be published
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
1MDI
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BU of 1mdi by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN MUTANT HUMAN THIOREDOXIN AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995

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