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4JQI
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BU of 4jqi by Molmil
Structure of active beta-arrestin1 bound to a G protein-coupled receptor phosphopeptide
Descriptor: 1,2-ETHANEDIOL, Beta-arrestin-1, CHLORIDE ION, ...
Authors:Shukla, A.K, Manglik, A, Kruse, A.C, Xiao, K, Reis, R.I, Tseng, W.C, Staus, D.P, Hilger, D, Uysal, S, Huang, L.H, Paduch, M, Shukla, P.T, Koide, A, Koide, S, Weis, W.I, Kossiakoff, A.A, Kobilka, B.K, Lefkowitz, R.J.
Deposit date:2013-03-20
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of active beta-arrestin-1 bound to a G-protein-coupled receptor phosphopeptide.
Nature, 497, 2013
7LB3
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BU of 7lb3 by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
Descriptor: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(S-methylsulfonimidoyl)cyclopropyl]pyrimidin-2-yl}-1H-indazole, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-01-07
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-580
To Be Published
3TRX
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BU of 3trx by Molmil
HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF REDUCED RECOMBINANT HUMAN THIOREDOXIN IN SOLUTION
Descriptor: THIOREDOXIN
Authors:Forman-Kay, J.D, Clore, G.M, Gronenborn, A.M.
Deposit date:1990-12-17
Release date:1992-01-15
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High-resolution three-dimensional structure of reduced recombinant human thioredoxin in solution.
Biochemistry, 30, 1991
6XYO
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BU of 6xyo by Molmil
Multiple system atrophy Type I alpha-synuclein filament
Descriptor: Alpha-synuclein
Authors:Schweighauser, M, Shi, Y, Tarutani, A, Kametani, F, Murzin, A.G, Ghetti, B, Matsubara, T, Tomita, T, Ando, T, Hasegawa, K, Murayama, S, Yoshida, M, Hasegawa, M, Scheres, S.H.W, Goedert, M.
Deposit date:2020-01-30
Release date:2020-02-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of alpha-synuclein filaments from multiple system atrophy.
Nature, 585, 2020
1HIJ
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BU of 1hij by Molmil
INTERLEUKIN-4 MUTANT WITH ARG 88 REPLACED WITH GLN (R88Q)
Descriptor: INTERLEUKIN-4
Authors:Mueller, T, Buehner, M.
Deposit date:1995-06-01
Release date:1996-01-29
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human interleukin-4 and variant R88Q: phasing X-ray diffraction data by molecular replacement using X-ray and nuclear magnetic resonance models.
J.Mol.Biol., 247, 1995
1CYL
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BU of 1cyl by Molmil
ASPECTS OF RECEPTOR BINDING AND SIGNALLING OF INTERLEUKIN-4 INVESTIGATED BY SITE-DIRECTED MUTAGENESIS AND NMR SPECTROSCOPY
Descriptor: INTERLEUKIN-4
Authors:Mueller, T, Sebald, W, Oschkinat, H.
Deposit date:1994-02-21
Release date:1994-09-30
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Aspects of receptor binding and signalling of interleukin-4 investigated by site-directed mutagenesis and NMR spectroscopy.
J.Mol.Biol., 237, 1994
3ZMS
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BU of 3zms by Molmil
LSD1-CoREST in complex with INSM1 peptide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, INSULINOMA-ASSOCIATED PROTEIN 1, LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, ...
Authors:Tortorici, M, Borrello, M.T, Tardugno, M, Chiarelli, L.R, Pilotto, S, Ciossani, G, Vellore, N.A, Cowan, J, O'Connell, M, Mai, A, Baron, R, Ganesan, A, Mattevi, A.
Deposit date:2013-02-12
Release date:2013-06-12
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Protein Recognition by Small Peptide Reversible Inhibitors of the Chromatin-Modifying Lsd1/Corest Lysine Demethylase.
Acs Chem.Biol., 8, 2013
6CPW
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BU of 6cpw by Molmil
Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology
Descriptor: (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Hruza, A, Hruza, A.
Deposit date:2018-03-14
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
6AZE
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BU of 6aze by Molmil
Crystal Structure of the BPTF PHD-bromodomain module bound to H3KC4me3 methyl lysine analog
Descriptor: ALA-ARG-THR-ML3-GLN-THR, Nucleosome-remodeling factor subunit BPTF, ZINC ION
Authors:Chen, Z, Ruthenburg, A.J.
Deposit date:2017-09-11
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Quantitative and structural assessment of methyllysine analog engagement by cognate binding proteins reveals decrements that can impact qualitative experiment interpretation
To be published
4ESG
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BU of 4esg by Molmil
X-ray structure of WDR5-MLL1 Win motif peptide binary complex
Descriptor: Histone-lysine N-methyltransferase MLL, WD repeat-containing protein 5
Authors:Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
Deposit date:2012-04-23
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
1IAR
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BU of 1iar by Molmil
INTERLEUKIN-4 / RECEPTOR ALPHA CHAIN COMPLEX
Descriptor: PROTEIN (INTERLEUKIN-4 RECEPTOR ALPHA CHAIN), PROTEIN (INTERLEUKIN-4)
Authors:Hage, T, Sebald, W, Reinemer, P.
Deposit date:1999-02-25
Release date:2000-03-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the interleukin-4/receptor alpha chain complex reveals a mosaic binding interface.
Cell(Cambridge,Mass.), 97, 1999
4ERY
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BU of 4ery by Molmil
X-ray structure of WDR5-MLL3 Win motif peptide binary complex
Descriptor: Histone-lysine N-methyltransferase MLL3, WD repeat-containing protein 5
Authors:Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S.
Deposit date:2012-04-21
Release date:2012-05-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
7N42
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BU of 7n42 by Molmil
Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681
Descriptor: 1,2-ETHANEDIOL, 6-(but-3-en-1-yl)-4-[6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, DIMETHYL SULFOXIDE, ...
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2021-06-03
Release date:2021-06-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the tandem bromodomain of human TAF1 (TAF1-T) bound to ZS1-681
To Be Published
6R80
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BU of 6r80 by Molmil
Structure of AFF4 C-terminal homology domain
Descriptor: AF4/FMR2 family member 4
Authors:Chen, Y, Cramer, P.
Deposit date:2019-03-30
Release date:2019-06-12
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the super-elongation complex subunit AFF4 C-terminal homology domain reveals requirements for AFF homo- and heterodimerization.
J.Biol.Chem., 294, 2019
6M94
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BU of 6m94 by Molmil
Monophosphorylated pSer33 b-Catenin peptide bound to b-TrCP/Skp1 Complex
Descriptor: Catenin beta-1, DIMETHYL SULFOXIDE, F-box/WD repeat-containing protein 1A, ...
Authors:Simonetta, K.R, Clifton, M.C, Walter, R.L, Ranieri, G.M, Carter, J.J.
Deposit date:2018-08-22
Release date:2019-04-03
Last modified:2019-04-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Prospective discovery of small molecule enhancers of an E3 ligase-substrate interaction.
Nat Commun, 10, 2019
5V62
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BU of 5v62 by Molmil
Phospho-ERK2 bound to bivalent inhibitor SBP3
Descriptor: 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE, GLYCEROL, Mitogen-activated protein kinase 1, ...
Authors:Lechtenberg, B.C, Riedl, S.J.
Deposit date:2017-03-15
Release date:2017-07-26
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Strategy for the Development of Potent Bivalent ERK Inhibitors.
ACS Med Chem Lett, 8, 2017
6BC0
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BU of 6bc0 by Molmil
A Complex between PH Domain of p190RhoGEF and Activated RhoA Bound to a GTP Analog
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho guanine nucleotide exchange factor 28, ...
Authors:Chen, Z, Sternweis, P.C.
Deposit date:2017-10-20
Release date:2017-12-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Direct regulation of p190RhoGEF by activated Rho and Rac GTPases.
J. Struct. Biol., 202, 2018
5UMO
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BU of 5umo by Molmil
STRUCTURE OF EXTRACELLULAR SIGNAL-REGULATED KINASE
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION
Authors:CHLEBOWICZ, J, ZHANG, F, GOLDSMITH, E.J.
Deposit date:2017-01-27
Release date:2017-03-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Atomic structure of the MAP kinase ERK2 at 2.3 A resolution.
Nature, 367, 1994
3E3E
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BU of 3e3e by Molmil
Human Thioredoxin Double Mutant C35S,C73R
Descriptor: HEXAETHYLENE GLYCOL, Thioredoxin
Authors:Hall, G, Emsley, J.
Deposit date:2008-08-07
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structure of human thioredoxin exhibits a large conformational change.
Protein Sci., 19, 2010
4HFX
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BU of 4hfx by Molmil
Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B.
Descriptor: SULFATE ION, Transcription elongation factor B polypeptide 3
Authors:Seetharaman, J, Su, M, Ciccosanti, C, Sahdev, S, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-10-05
Release date:2012-12-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Crystal structure of a transcription elongation factor B polypeptide 3 from Homo sapiens, Northeast Structural Genomics consortium target id HR4748B. (CASP Target)
TO BE PUBLISHED
5WP1
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BU of 5wp1 by Molmil
Complex of ERK2 with 5,7-dihydroxychromone
Descriptor: 5,7-dihydroxy-4H-1-benzopyran-4-one, BENZOIC ACID, Mitogen-activated protein kinase 1, ...
Authors:Kurinov, I, Malakhova, M.
Deposit date:2017-08-03
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Multiple phytochemicals at low doses accumulatively inhibit one key protein in cancers
To Be Published
6E5Z
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BU of 6e5z by Molmil
Crystal structure of human DJ-1 with a natural modification on Cys-106
Descriptor: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Shumilin, I.A, Shumilina, S.V, Minor, W.
Deposit date:2018-07-23
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A transient post-translational modification of active site cysteine alters binding properties of the parkinsonism protein DJ-1.
Biochem. Biophys. Res. Commun., 504, 2018
1UZG
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BU of 1uzg by Molmil
CRYSTAL STRUCTURE OF THE DENGUE TYPE 3 VIRUS ENVELOPE PROTEIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAJOR ENVELOPE PROTEIN E, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Modis, Y, Harrison, S.C.
Deposit date:2004-03-11
Release date:2005-03-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Variable Surface Epitopes in the Crystal Structure of Dengue Virus Type 3 Envelope Glycoprotein
J.Virol., 79, 2005
6V6M
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BU of 6v6m by Molmil
Crystal structure of an inactive state of GMPPNP-bound RhoA
Descriptor: 1,4-DIETHYLENE DIOXIDE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-05
Release date:2020-12-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021
6V6U
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BU of 6v6u by Molmil
Crystal structure of RhoA-GDP with novel Switch I conformation
Descriptor: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lin, Y, Zheng, Y.
Deposit date:2019-12-06
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structure of an inactive conformation of GTP-bound RhoA GTPase.
Structure, 29, 2021

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