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4CBY
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Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease
分子名称: (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ...
著者Burli, R.W, Luckhurst, C.A, Aziz, O, Matthews, K.L, Yates, D, Lyons, K.A, Beconi, M, McAllister, G, Breccia, P, Stott, A.J, Penrose, S.D, Wall, M, Lamers, M, Leonard, P, Mueller, I, Richardson, C.M, Jarvis, R, Stones, L, Hughes, S, Wishart, G, Haughan, A.F, O'Connell, C, Mead, T, McNeil, H, Vann, J, Mangette, J, Maillard, M, Beaumont, V, Munoz-Sanjuan, I, Dominguez, C.
登録日2013-10-17
公開日2013-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.
J. Med. Chem., 56, 2013
1BLB
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BU of 1blb by Molmil
CLOSE PACKING OF AN OLIGOMERIC EYE LENS BETA-CRYSTALLIN INDUCES LOSS OF SYMMETRY AND ORDERING OF SEQUENCE EXTENSIONS
分子名称: BETA B2-CRYSTALLIN
著者Nalini, V, Bax, B, Driessen, H, Moss, D.S, Lindley, P.F, Slingsby, C.
登録日1993-12-22
公開日1994-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Close packing of an oligomeric eye lens beta-crystallin induces loss of symmetry and ordering of sequence extensions.
J.Mol.Biol., 236, 1994
1JB2
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CRYSTAL STRUCTURE OF NTF2 M84E MUTANT
分子名称: NUCLEAR TRANSPORT FACTOR 2
著者Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M.
登録日2001-06-01
公開日2002-03-13
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
3J40
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BU of 3j40 by Molmil
Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling
分子名称: gp10, gp7
著者Baker, M.L, Hryc, C.F, Zhang, Q, Wu, W, Jakana, J, Haase-Pettingell, C, Afonine, P.V, Adams, P.D, King, J.A, Jiang, W, Chiu, W.
登録日2013-05-30
公開日2013-07-10
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
Proc.Natl.Acad.Sci.USA, 110, 2013
3E6Y
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BU of 3e6y by Molmil
Structure of 14-3-3 in complex with the differentiation-inducing agent Cotylenin A
分子名称: 14-3-3-like protein C, CHLORIDE ION, Cotylenin A, ...
著者Ottmann, C, Weyand, M, Wittinghofer, A, Oecking, C.
登録日2008-08-17
公開日2009-03-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A structural rationale for selective stabilization of anti-tumor interactions of 14-3-3 proteins by cotylenin A
J.Mol.Biol., 386, 2009
1JB4
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CRYSTAL STRUCTURE OF NTF2 M102E MUTANT
分子名称: NUCLEAR TRANSPORT FACTOR 2
著者Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M.
登録日2001-06-01
公開日2002-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
1JB5
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CRYSTAL STRUCTURE OF NTF2 M118E MUTANT
分子名称: NUCLEAR TRANSPORT FACTOR 2
著者Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M.
登録日2001-06-01
公開日2002-03-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
1YQJ
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BU of 1yqj by Molmil
Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor
分子名称: 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION
著者Tamayo, N, Liao, H, Goldberg, M, Syed, R, Li, V, Powers, D, Tudor, Y, Yu, V, Wong, M.L, Henkle, B, Middelton, S, Harvey, T, Jang, G, Hungate, R, Dominguez, C.
登録日2005-02-01
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
1PKQ
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BU of 1pkq by Molmil
Myelin Oligodendrocyte Glycoprotein-(8-18C5) Fab-complex
分子名称: (8-18C5) chimeric Fab, heavy chain, light chain, ...
著者Breithaupt, C, Schubart, A, Zander, H, Skerra, A, Huber, R, Linington, C, Jacob, U.
登録日2003-06-06
公開日2003-07-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the antigenicity of myelin oligodendrocyte glycoprotein
Proc.Natl.Acad.Sci.USA, 100, 2003
1ZEQ
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BU of 1zeq by Molmil
1.5 A Structure of apo-CusF residues 6-88 from Escherichia coli
分子名称: Cation efflux system protein cusF
著者Loftin, I.R, Franke, S, Roberts, S.A, Weichsel, A, Heroux, A, Montfort, W.R, Rensing, C, McEvoy, M.M.
登録日2005-04-19
公開日2005-08-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Novel Copper-Binding Fold for the Periplasmic Copper Resistance Protein CusF.
Biochemistry, 44, 2005
2WJ5
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BU of 2wj5 by Molmil
Rat alpha crystallin domain
分子名称: HEAT SHOCK PROTEIN BETA-6
著者Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C.
登録日2009-05-22
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20.
J.Mol.Biol., 392, 2009
3O5N
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BU of 3o5n by Molmil
Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders
分子名称: (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3
著者Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J.
登録日2010-07-28
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.
Chemmedchem, 6, 2011
2A50
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BU of 2a50 by Molmil
fluorescent protein asFP595, wt, off-state
分子名称: GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
著者Andresen, M, Wahl, M.C, Stiel, A.C, Graeter, F, Schaefer, L, Trowitzsch, S, Weber, G, Eggeling, C, Grubmueller, H, Hell, S.W, Jakobs, S.
登録日2005-06-30
公開日2005-08-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
3T4N
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BU of 3t4n by Molmil
Structure of the regulatory fragment of Saccharomyces cerevisiae AMPK in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ...
著者Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmdit, M.C, Gamblin, S.J, Carling, D.
登録日2011-07-26
公開日2011-11-09
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
2A53
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fluorescent protein asFP595, A143S, off-state
分子名称: CHLORIDE ION, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
著者Andresen, M, Wahl, M.C, Stiel, A.C, Graeter, F, Schaefer, L, Trowitzsch, S, Weber, G, Eggeling, C, Grubmueller, H, Hell, S.W, Jakobs, S.
登録日2005-06-30
公開日2005-08-16
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
7LMA
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BU of 7lma by Molmil
Tetrahymena telomerase T3D2 structure at 3.3 Angstrom
分子名称: Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ...
著者He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J.
登録日2021-02-05
公開日2021-05-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structures of telomerase at several steps of telomere repeat synthesis.
Nature, 593, 2021
7LMB
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BU of 7lmb by Molmil
Tetrahymena telomerase T5D5 structure at 3.8 Angstrom
分子名称: Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ...
著者He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J.
登録日2021-02-05
公開日2021-05-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of telomerase at several steps of telomere repeat synthesis.
Nature, 593, 2021
3P4U
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BU of 3p4u by Molmil
Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor
分子名称: Ac-VEID-CHO inhibitor, Caspase-6
著者Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2010-10-07
公開日2011-09-28
最終更新日2015-12-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of active and inhibitor-bound human Casp6
To be Published
4C4X
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Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9
分子名称: 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
登録日2013-09-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Z
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Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8
分子名称: 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
登録日2013-09-09
公開日2014-10-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Y
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Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
分子名称: 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
登録日2013-09-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
2QIF
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Crystal structure of a metallochaperone with a tetranuclear Cu(I) cluster
分子名称: ACETATE ION, CALCIUM ION, COPPER (I) ION, ...
著者West, C, Singleton, C, Kihlken, M.A, Le Brun, N.E, Hemmings, A.M.
登録日2007-07-04
公開日2008-07-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A tetranuclear Cu(I) cluster in the metallochaperone protein CopZ.
Biochemistry, 48, 2009
2XFK
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
分子名称: BETA-SECRETASE 1, N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1--METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)-3-(ETHYLAMINO)-5-((METHYLSULFONYL)(PHENYL)AMINO)BENZAMIDE
著者Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2010-05-24
公開日2010-07-07
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
2XFJ
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Human BACE-1 in complex with N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)- 1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl)benzamide
分子名称: BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-{[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide
著者Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G.
登録日2010-05-24
公開日2010-07-07
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
1O9C
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Structural view of a fungal toxin acting on a 14-3-3 regulatory complex
分子名称: 14-3-3-LIKE PROTEIN C, CHLORIDE ION, CITRATE ANION
著者Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C.
登録日2002-12-12
公開日2003-03-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex
Embo J., 22, 2003

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