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5X69
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BU of 5x69 by Molmil
Human thymidylate synthase with a fragment bound in the dimer interface
Descriptor: 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-21
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X4W
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BU of 5x4w by Molmil
Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition
Descriptor: PHOSPHATE ION, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-14
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5X5D
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BU of 5x5d by Molmil
Human thymidylate synthase bound with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Jansson, A, Larsson, A, Nordlund, P.
Deposit date:2017-02-15
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
5WRN
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BU of 5wrn by Molmil
Human thymidylate synthase complexed with dCMP
Descriptor: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, Thymidylate synthase
Authors:Chen, D, Nordlund, P.
Deposit date:2016-12-02
Release date:2016-12-14
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Human thymidylate synthase complexed with dCMP
To Be Published
3ZRC
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BU of 3zrc by Molmil
pVHL54-213-EloB-EloC complex (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE bound
Descriptor: (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ...
Authors:Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A.
Deposit date:2011-06-15
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Targeting the Von Hippel-Lindau E3 Ubiquitin Ligase Using Small Molecules to Disrupt the Vhl/Hif-1Alpha Interaction
J.Am.Chem.Soc., 134, 2012
3JZH
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BU of 3jzh by Molmil
EED-H3K79me3
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-23
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3JPX
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BU of 3jpx by Molmil
EED: A Novel Histone Trimethyllysine Binder Within The EED-EZH2 Polycomb Complex
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-04
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3JZG
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BU of 3jzg by Molmil
Structure of EED in complex with H3K27me3
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Xu, C, Bian, C.B, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-23
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Binding of different histone marks differentially regulates the activity and specificity of polycomb repressive complex 2 (PRC2).
Proc.Natl.Acad.Sci.USA, 107, 2010
3QPS
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BU of 3qps by Molmil
Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni
Descriptor: CHOLIC ACID, CmeR
Authors:Lei, H.T, Routh, M.D, Shen, Z, Su, C.C, Zhang, Q, Yu, E.W.
Deposit date:2011-02-14
Release date:2011-03-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni.
Protein Sci., 20, 2011
3QQA
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BU of 3qqa by Molmil
Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni
Descriptor: CmeR, TAUROCHOLIC ACID
Authors:Lei, H.T, Routh, M.D, Shen, Z, Su, C.-C, Zhang, Q, Yu, E.W.
Deposit date:2011-02-15
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of CmeR-bile acid complexes from Campylobacter jejuni.
Protein Sci., 20, 2011
6BY1
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BU of 6by1 by Molmil
E. coli pH03H9 complex
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Amiri, H, Noller, H.F.
Deposit date:2017-12-19
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.94 Å)
Cite:Structural evidence for product stabilization by the ribosomal mRNA helicase.
Rna, 25, 2019
5OFA
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BU of 5ofa by Molmil
Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation T424R
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Douse, C.H, Liu, Y, Modis, Y.
Deposit date:2017-07-10
Release date:2018-02-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms.
Nat Commun, 9, 2018
7FEW
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BU of 7few by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin gold analogues
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SULFATE ION, cAMP-activated global transcriptional regulator Vfr
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF0
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BU of 7ff0 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and auranofin
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GOLD ION, SULFATE ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the inhibitory mechanism of auranofin and gold(I) analogues against Pseudomonas aeruginosa global virulence factor regulator Vfr.
Comput Struct Biotechnol J, 21, 2023
7FF8
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BU of 7ff8 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and Cl(triethylphosphine)gold(I)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, GOLD ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-22
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Inhibitory mechanism of gold analogues against Pseudomonas global virulence factor regulator Vfr
To Be Published
7FF9
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BU of 7ff9 by Molmil
Pseudomonas aeruginosa Virulence Factor Regulator with cAMP ligand and Cl(triethylphosphine)gold(I)
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, GOLD ION, ...
Authors:Chew, B.L.A, Luo, D.
Deposit date:2021-07-23
Release date:2022-07-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibitory mechanism of gold analogues against Pseudomonas global virulence factor regulator Vfr
To Be Published
4X1E
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BU of 4x1e by Molmil
Crystal structure of unliganded E. coli transcriptional regulator RutR, W167A mutant
Descriptor: HTH-type transcriptional regulator RutR
Authors:Nguyen Le Minh, P, de Cima, S, Bervoets, I, Maes, D, Rubio, V, Charlier, D.
Deposit date:2014-11-24
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ligand binding specificity of RutR, a member of the TetR family of transcription regulators in Escherichia coli.
Febs Open Bio, 5, 2015
3C9C
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BU of 3c9c by Molmil
Structural Basis of Histone H4 Recognition by p55
Descriptor: CADMIUM ION, Chromatin assembly factor 1 p55 subunit, Histone H4, ...
Authors:Song, J.J, Garlick, J.D, Kingston, R.E.
Deposit date:2008-02-15
Release date:2008-05-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of histone H4 recognition by p55.
Genes Dev., 22, 2008
2J7Y
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BU of 2j7y by Molmil
STRUCTURE OF 17-EPIESTRIOL-BOUND ESTROGEN RECEPTOR BETA LBD IN COMPLEX WITH LXXLL MOTIF FROM NCOA5
Descriptor: (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)-TRIENE-3,16,17-TRIOL, 1,2-ETHANEDIOL, BICARBONATE ION, ...
Authors:Pike, A.C.W, Brzozowski, A.M, Hubbard, R.E, Walton, J, Bonn, T, Thorsell, A.-G, Engstrom, O, Ljunggren, J, Gustaffson, J.-A, Carlquist, M.
Deposit date:2006-10-17
Release date:2006-11-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of Agonist-Bound Estrogen Receptor Beta Lbd in Complex with Lxxll Motif from Ncoa5
To be Published
5NDW
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BU of 5ndw by Molmil
Crystal structure of aminoglycoside TC007 bound to the yeast 80S ribosome
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
Authors:Prokhorova, I, Djumagulov, M, Urzhumtsev, A, Yusupov, M, Yusupova, G.
Deposit date:2017-03-09
Release date:2017-12-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Aminoglycoside interactions and impacts on the eukaryotic ribosome.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5OFB
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BU of 5ofb by Molmil
Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation S87L
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MORC family CW-type zinc finger protein 2, ...
Authors:Douse, C.H, Liu, Y, Modis, Y.
Deposit date:2017-07-10
Release date:2018-02-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms.
Nat Commun, 9, 2018
4XK4
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BU of 4xk4 by Molmil
E. coli transcriptional regulator RUTR with dihydrouracil
Descriptor: DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE, HTH-type transcriptional regulator RutR
Authors:Shumilin, I.A, Cooper, D.R, Shabalin, I.G, Grabowski, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2015-01-09
Release date:2015-05-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:E. COLI TRANSCRIPTIONAL REGULATOR RUTR WITH DIHYDROURACIL
to be published
1LJ9
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BU of 1lj9 by Molmil
The crystal structure of the transcriptional regulator SlyA
Descriptor: transcriptional regulator SlyA
Authors:Wu, R.Y, Zhang, R.G, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2002-04-19
Release date:2003-01-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of Enterococcus faecalis SlyA-like transcriptional factor
J.Biol.Chem., 278, 2003
4YQE
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BU of 4yqe by Molmil
Crystal structure of E. coli WrbA in complex with benzoquinone
Descriptor: 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone)
Authors:Degtjarik, O, Brynda, J, Ettrichova, O, Carey, J, Kuta Smatanova, I, Ettrich, R.
Deposit date:2015-03-13
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
4YIF
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BU of 4yif by Molmil
Crystal structure of Rv0880
Descriptor: MarR family protein Rv0880
Authors:Gao, Y.R, Feng, N, Li, D.F, Bi, L.J.
Deposit date:2015-03-02
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structure of the MarR family protein Rv0880 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 71, 2015

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