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PDB: 460 件
4CT1
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BU of 4ct1 by Molmil
Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket
分子名称: (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M.
登録日2014-03-11
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
1N4C
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BU of 1n4c by Molmil
NMR Structure of the J-Domain and Clathrin Substrate Binding Domain of Bovine Auxilin
分子名称: Auxilin
著者Gruschus, J.M, Han, C.J, Greener, T, Greene, L.E, Ferretti, J.A, Eisenberg, E.
登録日2002-10-30
公開日2003-11-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the functional fragment of auxilin required for catalytic uncoating of clathrin-coated vesicles.
Biochemistry, 43, 2004
4CT2
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BU of 4ct2 by Molmil
Human PDK1-PKCzeta Kinase Chimera
分子名称: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ...
著者Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M.
登録日2014-03-11
公開日2014-05-28
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
2VTG
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BU of 2vtg by Molmil
Crystal Structure of Human Iba2, trigonal crystal form
分子名称: ACETATE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ZINC ION
著者Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K.
登録日2008-05-15
公開日2009-07-14
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural and Functional Characterization of Human Iba Proteins.
FEBS J., 275, 2008
4C0T
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BU of 4c0t by Molmil
Candida albicans PKh Kinase Domain
分子名称: LIKELY PROTEIN KINASE
著者Schulze, J.O, Pastor-Flores, D, Biondi, R.M.
登録日2013-08-07
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献The Pif-Pocket as a Target for C. Albicans Pkh Selective Inhibitors.
Acs Chem.Biol., 8, 2013
1P7K
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BU of 1p7k by Molmil
Crystal structure of an anti-ssDNA antigen-binding fragment (Fab) bound to 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid (HEPES)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Schuermann, J.P, Henzl, M.T, Deutscher, S.L, Tanner, J.J.
登録日2003-05-02
公開日2004-05-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of an anti-DNA fab complexed with a non-DNA ligand provides insights into cross-reactivity and molecular mimicry.
Proteins, 57, 2004
2L90
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BU of 2l90 by Molmil
Solution structure of murine myristoylated msrA
分子名称: MYRISTIC ACID, Peptide methionine sulfoxide reductase
著者Gruschus, J.M, Lim, J, Piszczek, G, Levine, R.L, Tjandra, N.
登録日2011-01-27
公開日2012-01-11
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Characterization and solution structure of mouse myristoylated methionine sulfoxide reductase A.
J.Biol.Chem., 287, 2012
2JJZ
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BU of 2jjz by Molmil
Crystal Structure of Human Iba2, orthorhombic crystal form
分子名称: ACETATE ION, CHLORIDE ION, IONIZED CALCIUM-BINDING ADAPTER MOLECULE 2, ...
著者Schulze, J.O, Quedenau, C, Roske, Y, Turnbull, A, Mueller, U, Heinemann, U, Buessow, K.
登録日2008-05-15
公開日2009-07-14
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Characterization of Human Iba Proteins.
FEBS J., 275, 2008
2M55
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BU of 2m55 by Molmil
NMR structure of the complex of an N-terminally acetylated alpha-synuclein peptide with calmodulin
分子名称: Alpha-synuclein, CALCIUM ION, Calmodulin
著者Gruschus, J.M, Yap, T, Pistolesi, S, Maltsev, A.S, Lee, J.C.
登録日2013-02-13
公開日2013-05-08
最終更新日2024-10-16
実験手法SOLUTION NMR
主引用文献NMR Structure of Calmodulin Complexed to an N-Terminally Acetylated alpha-Synuclein Peptide.
Biochemistry, 52, 2013
1YZS
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BU of 1yzs by Molmil
Solution structure of human sulfiredoxin (srx)
分子名称: sulfiredoxin
著者Gruschus, J.M, Lee, D.Y, Ferretti, J.A, Rhee, S.G.
登録日2005-02-28
公開日2005-03-22
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of human sulfiredoxin (srx)
To be Published
2NNX
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BU of 2nnx by Molmil
Crystal Structure of the H46R, H48Q double mutant of human [Cu-Zn] Superoxide Dismutase
分子名称: SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ZINC ION
著者Schuermann, J.P, Hart, P.J.
登録日2006-10-24
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Disease-associated mutations at copper ligand histidine residues of superoxide dismutase 1 diminish the binding of copper and compromise dimer stability
J.Biol.Chem., 282, 2007
2B6F
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BU of 2b6f by Molmil
Solution structure of human sulfiredoxin (SRX)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Sulfiredoxin
著者Gruschus, J.M, Lee, D.-Y, Ferretti, J.A, Rhee, S.G.
登録日2005-10-01
公開日2006-09-19
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Mutagenesis and Modeling of the Peroxiredoxin (Prx) Complex with the NMR Structure of ATP-Bound Human Sulfiredoxin Implicate Aspartate 187 of Prx I as the Catalytic Residue in ATP Hydrolysis
Biochemistry, 45, 2006
3FS7
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BU of 3fs7 by Molmil
Crystal structure of Gallus gallus beta-parvalbumin (avian thymic hormone)
分子名称: CALCIUM ION, GLYCEROL, Parvalbumin, ...
著者Schuermann, J.P, Tanner, J.J, Henzl, M.T.
登録日2009-01-09
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9539 Å)
主引用文献Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.
J.Mol.Biol., 397, 2010
5TMZ
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BU of 5tmz by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the estradiol derivative, (8S,9S,13S,14S,17S)-16-(3-methoxybenzyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
分子名称: (9beta,13alpha,14beta,16alpha,17alpha)-16-[(4-methoxyphenyl)methyl]estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.207 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN7
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BU of 5tn7 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-3'-fluoro-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate
分子名称: 3-fluoro-3'-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.238 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TLU
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BU of 5tlu by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine
分子名称: (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-12
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TM3
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BU of 5tm3 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide
分子名称: (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-12
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TML
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BU of 5tml by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
分子名称: 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMV
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BU of 5tmv by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
分子名称: 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TN5
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BU of 5tn5 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol
分子名称: (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TLL
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BU of 5tll by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-2-chloro-4'-hydroxy-4-((hydroxyiminio)methyl)-[1,1'-biphenyl]-3-olate
分子名称: 2-chloro-4-[(E)-(hydroxyimino)methyl][1,1'-biphenyl]-3,4'-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-11
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.423 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TLT
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BU of 5tlt by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with octane-1,8-diyl bis(2,3-bis(4-hydroxyphenyl)pentanoate)
分子名称: 8-{[2,3-bis(4-hydroxyphenyl)pentanoyl]oxy}octyl (2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoate, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-12
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TLO
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BU of 5tlo by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with a Squaric Acid-linked Dimeric Estrogen
分子名称: (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-11
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TLD
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BU of 5tld by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the phenylamino-substituted estrogen, (8R,9S,13S,14S,17S)-13-methyl-17-(phenylamino)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-ol
分子名称: (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-11
公開日2017-01-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.375 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TMO
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BU of 5tmo by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the Arene Core OBHS derivative, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
分子名称: Estrogen receptor, Nuclear receptor coactivator 2, phenyl 4,4''-dihydroxy-[1,1':2',1''-terphenyl]-4'-sulfonate
著者Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.172 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017

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