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PDB: 175 results

3TTJ
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Crystal Structure of JNK3 complexed with CC-359, a JNK inhibitor for the prevention of ischemia-reperfusion injury
Descriptor: 9-cyclopentyl-N~8~-(2-fluorophenyl)-N~2~-(4-methoxyphenyl)-9H-purine-2,8-diamine, Mitogen-activated protein kinase 10
Authors:Plantevin-Krenitsky, V, Delgado, M, Nadolny, L, Sahasrabudhe, K, Ayala, S, Clareen, S, Hilgraf, R, Albers, R, Kois, A, Hughes, K, Wright, J, Nowakowski, J, Sudbeck, E, Ghosh, S, Bahmanyar, S, Chamberlain, P, Muir, J, Cathers, B.E, Giegel, D, Xu, L, Celeridad, M, Moghaddam, M, Khatsenko, O, Omholt, P, Katz, J, Pai, S, Fan, R, Tang, Y, Shirley, M.A, Benish, B, Blease, K, Raymon, H, Bhagwat, S, Bennett, B, Satoh, Y.
Deposit date:2011-09-14
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Aminopurine based JNK inhibitors for the prevention of ischemia reperfusion injury.
Bioorg.Med.Chem.Lett., 22, 2012
3TTI
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Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 10, trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl)amino]-9H-purin-2-yl}amino)cyclohexanol
Authors:Plantevin-Krenitsky, V, Nadolny, L, Delgado, M, Ayala, L, Clareen, S, Hilgraf, R, Albers, R, Hegde, S, D'Sidocky, N, Sapienza, J, Wright, J, McCarrick, M, Bahmanyar, S, Chamberlain, P, Delker, S.L, Muir, J, Giegel, D, Xu, L, Celeridad, M, Lachowitzer, J, Bennett, B, Moghaddam, M, Khatsenko, O, Katz, J, Fan, R, Bai, A, Tang, Y, Shirley, M.A, Benish, B, Bodine, T, Blease, K, Raymon, H, Cathers, B.E, Satoh, Y.
Deposit date:2011-09-14
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of CC-930, an orally active anti-fibrotic JNK inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
1L5X
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The 2.0-Angstrom resolution crystal structure of a survival protein E (SurE) homolog from Pyrobaculum aerophilum
Descriptor: ACETIC ACID, GLYCEROL, Survival protein E
Authors:Mura, C, Katz, J.E, Clarke, S.G, Eisenberg, D.
Deposit date:2002-03-08
Release date:2003-02-25
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Function of an Archaeal Homolog of Survival Protein E (SurE-alpha): An Acid Phosphatase with Purine Nucleotide Specificity
J.Mol.Biol., 326, 2003
1JG1
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Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-ADENOSYL-L-HOMOCYSTEINE
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, protein-L-isoaspartate O-methyltransferase
Authors:Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JG3
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Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine & VYP(ISP)HA substrate
Descriptor: ADENOSINE, CHLORIDE ION, SODIUM ION, ...
Authors:Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2011-07-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JG4
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Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with S-adenosylmethionine
Descriptor: S-ADENOSYLMETHIONINE, protein-L-isoaspartate O-methyltransferase
Authors:Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
1JG2
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Crystal Structure of L-isoaspartyl (D-aspartyl) O-methyltransferase with adenosine
Descriptor: ADENOSINE, SODIUM ION, protein-L-isoaspartate O-methyltransferase
Authors:Griffith, S.C, Sawaya, M.R, Boutz, D, Thapar, N, Katz, J, Clarke, S, Yeates, T.O.
Deposit date:2001-06-22
Release date:2001-11-16
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a protein repair methyltransferase from Pyrococcus furiosus with its L-isoaspartyl peptide substrate.
J.Mol.Biol., 313, 2001
2QAB
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Crystal Structure of Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with an Ethyl Indazole Compound
Descriptor: 3-ETHYL-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2QA6
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Crystal Structure of Estrogen Receptor Alpha mutant 537S Complexed with 4-(6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
Descriptor: 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL, Estrogen receptor, nuclear receptor coactivator 2
Authors:Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L.
Deposit date:2007-06-14
Release date:2008-03-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
2Q6J
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Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand
Descriptor: 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide
Authors:Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A.
Deposit date:2007-06-05
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands
Chem.Biol., 14, 2007
2QXS
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Crystal Structure of Antagonizing Mutant 536S of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Raloxifene
Descriptor: Estrogen receptor, RALOXIFENE
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-12
Release date:2008-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
8VZ0
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400
Descriptor: (1S,2R,4S)-N-(cyclopropylmethyl)-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.A, Nettles, K.W.
Deposit date:2024-02-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.86 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
8VZ1
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-409
Descriptor: 4,4'-[(1S,4S,5R)-5-(6-methoxy-3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, 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:2024-02-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.82 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
8VZP
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403
Descriptor: (1S,2R,4S)-N-(2-hydroxyethyl)-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.A, Nettles, K.W.
Deposit date:2024-02-12
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.72 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
8VYT
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411
Descriptor: 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, 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:2024-02-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.61 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
8VYX
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-410
Descriptor: 4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, 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:2024-02-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.69 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
8VZQ
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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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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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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
7RS9
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25
Descriptor: (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-11
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RRY
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-20
Descriptor: (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, CHLORIDE ION, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS4
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8
Descriptor: (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid, CHLORIDE ION, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS2
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23
Descriptor: (2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid, Estrogen receptor
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS1
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21
Descriptor: Estrogen receptor, methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RS3
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Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-29
Descriptor: (1S,2R,4S)-6-[4-(benzyloxy)phenyl]-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, CYSTEINE, Estrogen receptor, ...
Authors:Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2021-08-10
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021

226707

PDB entries from 2024-10-30

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