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8BZY
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BU of 8bzy by Molmil
Structure of SLC40/ferroportin in complex with vamifeport and synthetic nanobody Sy3 in occluded conformation
Descriptor: 2-[2-[2-(1~{H}-benzimidazol-2-yl)ethylamino]ethyl]-~{N}-[(3-fluoranylpyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide, DIUNDECYL PHOSPHATIDYL CHOLINE, Solute carrier family 40 member 1, ...
Authors:Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
Deposit date:2022-12-15
Release date:2023-03-22
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
8C02
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BU of 8c02 by Molmil
Structure of SLC40/ferroportin in complex with synthetic nanobody Sy3 in occluded conformation
Descriptor: Solute carrier family 40 member 1, Sybody3
Authors:Lehmann, E.F, Liziczai, M, Drozdzyk, K, Dutzler, R, Manatschal, C.
Deposit date:2022-12-15
Release date:2023-03-22
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.09 Å)
Cite:Structures of ferroportin in complex with its specific inhibitor vamifeport.
Elife, 12, 2023
4L0Z
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BU of 4l0z by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 2)
Descriptor: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', Protein C-ets-1, ...
Authors:Tahirov, T.H.
Deposit date:2013-06-01
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
1H6F
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BU of 1h6f by Molmil
Human TBX3, a transcription factor responsible for ulnar-mammary syndrome, bound to a palindromic DNA site
Descriptor: 5'-D(*TP*AP*AP*TP*TP*TP*CP*AP*CP*AP*CP*CP*TP* AP*GP*GP*TP*GP*TP*GP*AP*AP*AP*T)-3', MAGNESIUM ION, T-BOX TRANSCRIPTION FACTOR TBX3
Authors:Coll, M, Muller, C.W.
Deposit date:2001-06-13
Release date:2002-04-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of the DNA-Bound T-Box Domain of Human Tbx3, a Transcription Factor Responsible for Ulnar- Mammary Syndrome
Structure, 10, 2002
4L0Y
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BU of 4l0y by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 1)
Descriptor: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', Protein C-ets-1, ...
Authors:Tahirov, T.H.
Deposit date:2013-06-01
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
4L18
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BU of 4l18 by Molmil
Crystal structure of Runx1 and Ets1 bound to TCR alpha promoter (crystal form 3)
Descriptor: 5'-D(*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3', 5'-D(*GP*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*T)-3', GLYCEROL, ...
Authors:Tahirov, T.H.
Deposit date:2013-06-02
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of Ets1 activation by Runx1.
Leukemia, 28, 2014
4MD7
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BU of 4md7 by Molmil
Crystal Structure of full-length symmetric CK2 holoenzyme
Descriptor: Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION
Authors:Lolli, G, Ranchio, A, Battistutta, R.
Deposit date:2013-08-22
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Active Form of the Protein Kinase CK2 alpha 2 beta 2 Holoenzyme Is a Strong Complex with Symmetric Architecture.
Acs Chem.Biol., 9, 2014
5BT1
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BU of 5bt1 by Molmil
histone chaperone Hif1 playing with histone H2A-H2B dimer
Descriptor: HAT1-interacting factor 1, Histone H2A.1, Histone H2B.1
Authors:Liu, H, Zhang, M, Gao, Y, Teng, M, Niu, L.
Deposit date:2015-06-02
Release date:2016-10-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural Insights into the Association of Hif1 with Histones H2A-H2B Dimer and H3-H4 Tetramer
Structure, 24, 2016
5VP8
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BU of 5vp8 by Molmil
I38T mutant of 2009 H1N1 PA Endonuclease
Descriptor: 1-[(3R,5S,7R)-1,5,7,9-tetrakis(2-oxopyrrolidin-1-yl)nonan-3-yl]-1,3-dihydro-2H-pyrrol-2-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-04
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
8PYW
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BU of 8pyw by Molmil
Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp.
Descriptor: GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate
Authors:Feracci, M, Chazot, A.
Deposit date:2023-07-26
Release date:2023-12-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.553 Å)
Cite:An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex.
Nucleic Acids Res., 52, 2024
5VPX
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BU of 5vpx by Molmil
I38T mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
Descriptor: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-06
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
5VQN
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BU of 5vqn by Molmil
E119D mutant of 2009 H1N1 PA Endonuclease in complex with RO-7
Descriptor: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-09
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
3WSO
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BU of 3wso by Molmil
Crystal structure of the Skp1-FBG3 complex
Descriptor: F-box only protein 44, S-phase kinase-associated protein 1
Authors:Kumanomidou, T, Nishio, K, Takagi, K, Nakagawa, T, Suzuki, A, Yamane, T, Tokunaga, F, Iwai, K, Murakami, A, Yoshida, Y, Tanaka, K, Mizushima, T.
Deposit date:2014-03-18
Release date:2015-03-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Structural Differences between a Glycoprotein Specific F-Box Protein Fbs1 and Its Homologous Protein FBG3
Plos One, 10, 2015
5VPT
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BU of 5vpt by Molmil
2009 H1N1 PA Endonuclease in complex with RO-7
Descriptor: 1-[(11S)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-5-hydroxy-3-[(2R)-1,1,1-trifluoropropan-2-yl]-2,3-dihydro-1H-pyrido[2,1-f][1,2,4]triazine-4,6-dione, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Kumar, G, White, S.W.
Deposit date:2017-05-05
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the I38T PA Substitution as a Resistance Marker for Next-Generation Influenza Virus Endonuclease Inhibitors.
MBio, 9, 2018
8BI7
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BU of 8bi7 by Molmil
Binary structure of 14-3-3s and PKR phosphopeptide
Descriptor: 14-3-3 protein sigma, MAGNESIUM ION, PKR phosphopeptide
Authors:Somsen, B.A, Ottmann, C.
Deposit date:2022-11-01
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Reversible Dual-Covalent Molecular Locking of the 14-3-3/ERR gamma Protein-Protein Interaction as a Molecular Glue Drug Discovery Approach.
J.Am.Chem.Soc., 145, 2023
3N8B
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BU of 3n8b by Molmil
Crystal Structure of Borrelia burgdorferi Pur-alpha
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
Authors:Graebsch, A, Roche, S, Kostrewa, D, Niessing, D.
Deposit date:2010-05-28
Release date:2010-10-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure.
Plos One, 5, 2010
3QB7
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BU of 3qb7 by Molmil
Interleukin-4 mutant RGA bound to cytokine receptor common gamma
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
Authors:Bates, D.L, Junttila, I.S, Creusot, R.J, Moraga, I, Lupardus, P, Fathman, C.G, Paul, W.E, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Redirecting cell-type specific cytokine responses with engineered interleukin-4 superkines.
Nat.Chem.Biol., 8, 2012
4LMG
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BU of 4lmg by Molmil
Crystal structure of AFT2 in complex with DNA
Descriptor: 5'-D(*AP*AP*GP*TP*GP*CP*AP*CP*CP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*TP*GP*GP*GP*TP*GP*CP*AP*CP*T)-3', Iron-regulated transcriptional activator AFT2, ...
Authors:Poor, C.B, Sanishvili, R, Schuermann, J.P, He, C.
Deposit date:2013-07-10
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism and structure of the Saccharomyces cerevisiae iron regulator Aft2.
Proc.Natl.Acad.Sci.USA, 111, 2014
6UCM
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BU of 6ucm by Molmil
Transcription factor DeltaFosB bZIP domain self-assembly, type-II crystal
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Protein fosB
Authors:Yin, Z, Machius, M, Rudenko, G.
Deposit date:2019-09-16
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.424 Å)
Cite:Self-assembly of the bZIP transcription factor Delta FosB.
Curr Res Struct Biol, 2, 2020
1GOL
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BU of 1gol by Molmil
COORDINATES OF RAT MAP KINASE ERK2 WITH AN ARGININE MUTATION AT POSITION 52
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, EXTRACELLULAR REGULATED KINASE 2, MAGNESIUM ION
Authors:Harkins, P.C, Zhang, F, Goldsmith, E.J.
Deposit date:1996-01-23
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutation of position 52 in ERK2 creates a nonproductive binding mode for adenosine 5'-triphosphate.
Biochemistry, 35, 1996
5MHC
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BU of 5mhc by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, LYS-LEU-MET-PHE-LYS-TPO-GLU-GLY-PRO-ASP-SER-ASP, ...
Authors:Andrei, S, Ottmann, C, Leysen, S.
Deposit date:2016-11-24
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
5MOC
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BU of 5moc by Molmil
Crystal structure of 14-3-3sigma and a p53 C-terminal 12-mer synthetic phosphopeptide
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Andrei, S, Ottmann, C, Leysen, S.
Deposit date:2016-12-14
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule stabilization of the p53 - 14-3-3 protein-protein interaction.
FEBS Lett., 591, 2017
7MXN
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BU of 7mxn by Molmil
PRMT5(M420T mutant):MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-19
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MX7
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BU of 7mx7 by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06939999
Descriptor: (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022
7MXA
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BU of 7mxa by Molmil
PRMT5:MEP50 complexed with inhibitor PF-06855800
Descriptor: 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Methylosome protein 50, Protein arginine N-methyltransferase 5
Authors:McTigue, M, Deng, Y.L, Liu, W, Brooun, A.
Deposit date:2021-05-18
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:SAM-Competitive PRMT5 Inhibitor PF-06939999 Demonstrates Antitumor Activity in Splicing Dysregulated NSCLC with Decreased Liability of Drug Resistance.
Mol.Cancer Ther., 21, 2022

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