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5DU5
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Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a dichloro-substituted, 3,4-diarylthiophene dioxide core ligand
分子名称: 3,4-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~6~-thiophene-1,1-dione, Estrogen receptor, Nuclear receptor coactivator 2
著者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.
登録日2015-09-18
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5DVS
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BU of 5dvs by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a 2-Methyl-substituted Triaryl-imine 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol
分子名称: 4,4'-[(2-methylphenyl)carbonimidoyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Wright, N.J, 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.
登録日2015-09-21
公開日2016-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
1X6N
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BU of 1x6n by Molmil
Crystal structure of S. marcescens chitinase A mutant W167A in complex with allosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, Chitinase A
著者Aronson Jr, N.N, Halloran, B.A, Alexyev, M.F, Zhou, X.E, Wang, Y, Meehan, E.J, Chen, L.
登録日2004-08-11
公開日2005-07-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Muation of Trp167 at the -3 subsite of the chitin-binding cleft of S. marcescens chitinase A causes enhanced transglycosylation
To be Published
1XBI
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BU of 1xbi by Molmil
High resolution structure of Methanocaldococcus jannaschii L7AE
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 50S ribosomal protein L7Ae
著者Brown II, B.A, Suryadi, J, Lieberman, D.V, Tran, E.J, Maxwell, E.S.
登録日2004-08-30
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Crystal Structure of the Methanocaldococcus jannaschii Multifunctional L7Ae RNA-Binding Protein Reveals an Induced-Fit Interaction with the Box C/D RNAs.
Biochemistry, 44, 2005
7M1E
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BU of 7m1e by Molmil
Structural and functional studies about scorpine showed the presence of blocking channel and cytolytic activities as well as two different structural domains
分子名称: Scorpine
著者del Rio, J.F, Lopez, A.E, Titaux, G.
登録日2021-03-12
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and functional studies of scorpine: A channel blocker and cytolytic peptide.
Toxicon, 222, 2022
5E14
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3R)-3-phenylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者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.
登録日2015-09-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
5LPN
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BU of 5lpn by Molmil
Structure of human Rab10 in complex with the bMERB domain of Mical-1
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Protein-methionine sulfoxide oxidase MICAL1, ...
著者Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M.
登録日2016-08-14
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献bMERB domains are bivalent Rab8 family effectors evolved by gene duplication.
Elife, 5, 2016
5E0M
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BU of 5e0m by Molmil
LC8 - Chica (468-476) Complex
分子名称: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
著者Clark, S.A, Barbar, E.B, Karplus, P.A.
登録日2015-09-29
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
5E0X
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Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol
分子名称: 4,4'-{[(3S)-3-(4-methoxyphenyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2
著者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.
登録日2015-09-29
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.014 Å)
主引用文献Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
4A6A
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BU of 4a6a by Molmil
A115V variant of dCTP deaminase-dUTPase from Mycobacterium tuberculosis in complex with dTTP
分子名称: DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE
著者Lovgreen, M.N, Ucar, E, Willemoes, M, Harris, P.
登録日2011-11-01
公開日2012-10-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dttp Inhibition of the Bifunctional Dctp Deaminase- Dutpase from Mycobacterium Tuberculosis is Ph Dependent: Kinetic Analyses and Crystal Structure of A115V Variant
To be Published
5LX7
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BU of 5lx7 by Molmil
Cys-Gly dipeptidase GliJ mutant D38N
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ...
著者Huber, E.M, Groll, M.
登録日2016-09-20
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
3E4E
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Human cytochrome P450 2E1 in complex with the inhibitor 4-methylpyrazole
分子名称: 4-methyl-1H-pyrazole, Cytochrome P450 2E1, PROTOPORPHYRIN IX CONTAINING FE
著者Meneely, K.M, Porubsky, P.R, Scott, E.E.
登録日2008-08-11
公開日2008-09-16
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of human cytochrome P450 2E1: insights into the binding of inhibitors and both small molecular weight and fatty acid substrates.
J.Biol.Chem., 283, 2008
3E6L
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BU of 3e6l by Molmil
Structure of murine INOS oxygenase domain with inhibitor AR-C132283
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ...
著者Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D.
登録日2008-08-15
公開日2008-10-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
6C06
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BU of 6c06 by Molmil
Mycobacterium tuberculosis RNAP Holo/RbpA/Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M.
登録日2017-12-27
公開日2018-03-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.15 Å)
主引用文献Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018
3HN3
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BU of 3hn3 by Molmil
Human beta-glucuronidase at 1.7 A resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Klei, H.E, Ghosh, K, Anumula, R.
登録日2009-05-29
公開日2009-12-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human beta-glucuronidasel at 1.7 A resolution
To be Published
6BGQ
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BU of 6bgq by Molmil
Caspase-3 Mutant - S150D
分子名称: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-29
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
4MZL
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BU of 4mzl by Molmil
Crystal Structure of MTIP from Plasmodium falciparum in complex with HBS myoA, a hydrogen bond surrogate myoA helix mimetic
分子名称: Myosin A tail domain interacting protein, hydrogen bond surrogate (HBS) myoA helix mimetic
著者Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W.
登録日2013-09-30
公開日2013-11-06
最終更新日2023-06-07
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
6BHA
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BU of 6bha by Molmil
Caspase-3 Mutant - T152V
分子名称: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-30
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
1TYG
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BU of 1tyg by Molmil
Structure of the thiazole synthase/ThiS complex
分子名称: PHOSPHATE ION, Thiazole biosynthesis protein thiG, yjbS
著者Settembre, E.C, Dorrestein, P.C, Zhai, H, Chatterjee, A, McLafferty, F.W, Begley, T.P, Ealick, S.E.
登録日2004-07-07
公開日2004-09-28
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Thiamin Biosynthesis in Bacillus subtilis: Structure of the Thiazole Synthase/Sulfur Carrier Protein Complex
Biochemistry, 43, 2004
3HWL
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BU of 3hwl by Molmil
Crystal Structure of T4 lysozyme with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 131
分子名称: AZIDE ION, CHLORIDE ION, Lysozyme
著者Fleissner, M.R, Cascio, D, Schultz, P.G, Hubbell, W.L.
登録日2009-06-17
公開日2009-12-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Site-directed spin labeling of a genetically encoded unnatural amino acid.
Proc.Natl.Acad.Sci.USA, 106, 2009
2JCD
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BU of 2jcd by Molmil
Structure of the N-oxygenase AurF from Streptomyces thioluteus
分子名称: 1,2-ETHANEDIOL, MANGANESE (II) ION, N-OXIDASE
著者Zocher, G.E, Winkler, R, Hertweck, C, Schulz, G.E.
登録日2006-12-21
公開日2007-09-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structure and Action of the N-Oxygenase Aurf from Streptomyces Thioluteus.
J.Mol.Biol., 373, 2007
5LXR
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BU of 5lxr by Molmil
Structure of the minimal RBM7 - ZCCHC8 Complex
分子名称: BROMIDE ION, CHLORIDE ION, RNA-binding protein 7, ...
著者Falk, S, Finogenova, K, Benda, C, Conti, E.
登録日2016-09-22
公開日2016-12-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the RBM7-ZCCHC8 core of the NEXT complex reveals connections to splicing factors.
Nat Commun, 7, 2016
5FK9
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Crystal structure of staphylococcal enterotoxin A F47A mutant in complex with a T cell receptor
分子名称: ENTEROTOXIN TYPE A, T CELL RECEPTOR ALPHA CHAIN, T CELL RECEPTOR BETA CHAIN
著者Rodstrom, K.E.J, Regenthal, P, Lindkvist-Petersson, K.
登録日2015-10-15
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Two Common Structural Motifs for Tcr Recognition by Staphylococcal Enterotoxins
Sci.Rep., 6, 2016
5WUK
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Crystal structure of EED [G255D] in complex with EZH2 peptide and EED226 compound
分子名称: GLYCEROL, Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
著者Chen, Z.
登録日2016-12-19
公開日2017-05-03
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Split luciferase-based biosensors for characterizing EED binders
Anal. Biochem., 522, 2017
2JVH
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Structure of C3-binding domain 4 of S. aureus protein Sbi
分子名称: IgG-binding protein SBI
著者Upadhyay, A, Burman, J, Clark, E.A, van den Elsen, J.M.H, Bagby, S.
登録日2007-09-20
公開日2008-06-10
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure-function analysis of the C3 binding region of Staphylococcus aureus immune subversion protein Sbi.
J.Biol.Chem., 283, 2008

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