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8VZQ
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BU of 8vzq by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-406
Descriptor: (1S,2R,4S)-N-(2-fluoro-2-methylpropyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NICKEL (II) ION
Authors:Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2024-02-12
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
8W03
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BU of 8w03 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-1154
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
Authors:Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2024-02-13
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
8W07
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BU of 8w07 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402
Descriptor: (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
Authors:Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.K, Nettles, K.W.
Deposit date:2024-02-13
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu.
Proc.Natl.Acad.Sci.USA, 121, 2024
8G2G
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BU of 8g2g by Molmil
Crystal structure of PRMT3 with compound YD1113
Descriptor: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION
Authors:Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
Deposit date:2023-02-03
Release date:2023-04-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2F
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BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
Descriptor: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-05-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2H
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BU of 8g2h by Molmil
Crystal Structure of PRMT4 with Compound YD1113
Descriptor: 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-12-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
Descriptor: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
3FDR
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BU of 3fdr by Molmil
Crystal structure of TDRD2
Descriptor: Tudor and KH domain-containing protein
Authors:Amaya, M.F, Adams, M.A, Guo, Y, Li, Y, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2008-11-26
Release date:2009-01-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mouse Piwi interactome identifies binding mechanism of Tdrkh Tudor domain to arginine methylated Miwi
Proc.Natl.Acad.Sci.USA, 106, 2009
4H12
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BU of 4h12 by Molmil
The crystal structure of methyltransferase domain of human SET domain-containing protein 2 in complex with S-adenosyl-L-homocysteine
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Amaya, M.F, Dong, A, Zeng, H, Mackenzie, F, Bunnage, M, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-09-10
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
3MTS
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BU of 3mts by Molmil
Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1
Descriptor: Histone-lysine N-methyltransferase SUV39H1
Authors:Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
3GFC
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BU of 3gfc by Molmil
Crystal Structure of Histone-binding protein RBBP4
Descriptor: Histone-binding protein RBBP4
Authors:Amaya, M.F, Dong, A, Li, Z, He, H, Ni, S, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-02-26
Release date:2009-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and function of WD40 domain proteins.
Protein Cell, 2, 2011
3R93
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BU of 3r93 by Molmil
Crystal structure of the chromo domain of M-phase phosphoprotein 8 bound to H3K9Me3 peptide
Descriptor: H3K9Me3 peptide, M-phase phosphoprotein 8, UNKNOWN ATOM OR ION
Authors:Li, J, Li, Z, Ruan, J, Xu, C, Tong, Y, Pan, P.W, Tempel, W, Crombet, L, Min, J, Zang, J, Structural Genomics Consortium (SGC)
Deposit date:2011-03-24
Release date:2011-04-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.057 Å)
Cite:Structural basis for specific binding of human MPP8 chromodomain to histone H3 methylated at lysine 9.
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
3I91
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BU of 3i91 by Molmil
Crystal structure of human chromobox homolog 8 (CBX8) with H3K9 peptide
Descriptor: Chromobox protein homolog 8, H3K9 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:2017-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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
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
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
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
2P0W
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BU of 2p0w by Molmil
Human histone acetyltransferase 1 (HAT1)
Descriptor: ACETAMIDE, ACETATE ION, ACETYL COENZYME *A, ...
Authors:Wu, H, Min, J, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-03-01
Release date:2007-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of human histone acetyltransferase 1 (HAT1) in complex with acetylcoenzyme A and histone peptide H4
To be Published
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
3GV6
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BU of 3gv6 by Molmil
Crystal Structure of human chromobox homolog 6 (CBX6) with H3K9 peptide
Descriptor: Chromobox protein homolog 6, Histone H3K9me3 peptide
Authors:Dong, A, Amaya, M.F, Li, Z, 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:2009-03-30
Release date:2009-04-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
3H91
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BU of 3h91 by Molmil
Crystal structure of the complex of human chromobox homolog 2 (CBX2) and H3K27 peptide
Descriptor: Chromobox protein homolog 2, 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:2009-04-29
Release date:2009-08-18
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
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

221051

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