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5KCC
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BU of 5kcc by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Oxabicyclic Heptene Sulfonamide (OBHS-N)
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.386 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCW
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BU of 5kcw by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl OBHS-N derivative
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-phenyl-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.905 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KD9
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BU of 5kd9 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-trifluoroethyl 4-chlorobenzyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-(4-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5C0M
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BU of 5c0m by Molmil
Crystal structure of SGF29 tandem tudor domain in complex with a Carba containing peptide
Descriptor: Carba-containing peptide, GLYCEROL, SAGA-associated factor 29 homolog, ...
Authors:Dong, A, Xu, C, Tempel, W, Cerovina, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2015-06-12
Release date:2015-07-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins.
Nat Commun, 6, 2015
5KCE
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BU of 5kce by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl, 2-chlorobenzyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-(2-chlorophenyl)-5,6-bis(4-hydroxyphenyl)-N-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCU
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BU of 5kcu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative
Descriptor: (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCD
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BU of 5kcd by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-methyl Substituted OBHS-N derivative
Descriptor: (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-N-methyl-N-phenyl-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCF
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BU of 5kcf by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-methoxybenzyl OBHS-N derivative
Descriptor: (1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ...
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
5KCT
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BU of 5kct by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, 4-chlorobenzyl OBHS-N derivative
Descriptor: (1R,2S,4R)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-(4-chlorophenyl)-N-ethyl-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, ...
Authors:Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-06-07
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
3KUP
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BU of 3kup by Molmil
Crystal Structure of the CBX3 Chromo Shadow Domain
Descriptor: Chromobox protein homolog 3, UNKNOWN ATOM OR ION
Authors:Tempel, W, Li, Z, Li, Y, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-27
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal Structure of the CBX3 Chromo Shadow Domain
to be published
3HM5
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BU of 3hm5 by Molmil
SANT domain of human DNA methyltransferase 1 associated protein 1
Descriptor: CALCIUM ION, DNA methyltransferase 1-associated protein 1, UNKNOWN ATOM OR ION
Authors:Dombrovski, L, Tempel, W, Amaya, M.F, Tong, Y, Ni, S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Park, H, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2009-05-28
Release date:2009-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:SANT domain of human DNA methyltransferase 1 associated protein 1
To be Published
3I3C
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BU of 3i3c by Molmil
Crystal Structural of CBX5 Chromo Shadow Domain
Descriptor: Chromobox protein homolog 5, SODIUM ION
Authors:Amaya, M.F, Li, Z, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal Structural of CBX5 Chromo Shadow Domain
To be Published
3I90
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BU of 3i90 by Molmil
Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide
Descriptor: Chromobox protein homolog 6, H3K27 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-07-10
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3IV2
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BU of 3iv2 by Molmil
Crystal structure of mature apo-Cathepsin L C25A mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, GLYCEROL, ...
Authors:Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J.
Deposit date:2009-08-31
Release date:2010-03-23
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
6MEW
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BU of 6mew by Molmil
RFXANK ankyrin repeats in complex with a RFX7 peptide
Descriptor: DNA-binding protein RFXANK, RFX7 peptide, UNKNOWN ATOM OR ION
Authors:Tempel, W, Xu, C, Dong, A, Li, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-09-07
Release date:2018-10-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:RFXANK ankyrin repeats in complex with a RFX7 peptide
to be published
6MLC
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BU of 6mlc by Molmil
PHD6 domain of MLL3 in complex with histone H4
Descriptor: GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ...
Authors:Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2018-09-27
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4.
Nat Commun, 10, 2019
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
3K24
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BU of 3k24 by Molmil
Crystal structure of mature apo-Cathepsin L C25A mutant in complex with Gln-Leu-Ala peptide
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-6)-beta-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-2)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin L1, ...
Authors:Adams-Cioaba, M.A, Krupa, J.C, Mort, J.S, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the recognition and cleavage of histone H3 by cathepsin L.
Nat Commun, 2, 2011
3K26
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BU of 3k26 by Molmil
Complex structure of EED and trimethylated H3K4
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.58 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
3K27
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BU of 3k27 by Molmil
Complex structure of EED and trimethylated H3K9
Descriptor: HISTONE PEPTIDE, Polycomb protein EED
Authors:Bian, C.B, Xu, C, Qiu, W, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-09-29
Release date:2009-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.76 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
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
6OGJ
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BU of 6ogj by Molmil
MeCP2 MBD in complex with DNA
Descriptor: DNA (5'-D(*CP*GP*GP*AP*GP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*CP*AP*CP*TP*CP*CP*G)-3'), Methyl-CpG-binding protein 2, ...
Authors:Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-04-02
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain.
Biochim Biophys Acta Gene Regul Mech, 1862, 2019
3LLR
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BU of 3llr by Molmil
Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (cytosine-5)-methyltransferase 3A, SULFATE ION
Authors:Qiu, W, Dombrovski, L, Ni, S, Weigelt, J, Boutra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and histone binding ability characterizations of human PWWP domains.
Plos One, 6, 2011
3I2N
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BU of 3i2n by Molmil
Crystal Structure of WD40 repeats protein WDR92
Descriptor: WD repeat-containing protein 92
Authors:Amaya, M.F, Li, Z, He, H, Seitova, A, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-06-29
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011

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