4CBY
 
 | | Design, synthesis, and biological evaluation of potent and selective Class IIa HDAC inhibitors as a potential therapy for Huntington's disease | | Descriptor: | (1R,2R,3R)-2-[4-(1,3-oxazol-5-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | | Authors: | 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. | | Deposit date: | 2013-10-17 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | 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
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1BLB
 | | CLOSE PACKING OF AN OLIGOMERIC EYE LENS BETA-CRYSTALLIN INDUCES LOSS OF SYMMETRY AND ORDERING OF SEQUENCE EXTENSIONS | | Descriptor: | BETA B2-CRYSTALLIN | | Authors: | Nalini, V, Bax, B, Driessen, H, Moss, D.S, Lindley, P.F, Slingsby, C. | | Deposit date: | 1993-12-22 | | Release date: | 1994-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Close packing of an oligomeric eye lens beta-crystallin induces loss of symmetry and ordering of sequence extensions.
J.Mol.Biol., 236, 1994
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1JB2
 | | CRYSTAL STRUCTURE OF NTF2 M84E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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3J40
 | | Validated Near-Atomic Resolution Structure of Bacteriophage Epsilon15 Derived from Cryo-EM and Modeling | | Descriptor: | gp10, gp7 | | Authors: | 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. | | Deposit date: | 2013-05-30 | | Release date: | 2013-07-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling.
Proc.Natl.Acad.Sci.USA, 110, 2013
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3E6Y
 | | Structure of 14-3-3 in complex with the differentiation-inducing agent Cotylenin A | | Descriptor: | 14-3-3-like protein C, CHLORIDE ION, Cotylenin A, ... | | Authors: | Ottmann, C, Weyand, M, Wittinghofer, A, Oecking, C. | | Deposit date: | 2008-08-17 | | Release date: | 2009-03-10 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural rationale for selective stabilization of anti-tumor interactions of 14-3-3 proteins by cotylenin A
J.Mol.Biol., 386, 2009
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1JB4
 | | CRYSTAL STRUCTURE OF NTF2 M102E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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1JB5
 | | CRYSTAL STRUCTURE OF NTF2 M118E MUTANT | | Descriptor: | NUCLEAR TRANSPORT FACTOR 2 | | Authors: | Chaillan-Huntington, C, Butler, P.J, Huntington, J.A, Akin, D, Feldherr, C, Stewart, M. | | Deposit date: | 2001-06-01 | | Release date: | 2002-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | NTF2 monomer-dimer equilibrium.
J.Mol.Biol., 314, 2001
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1YQJ
 | | Crystal Structure of p38 Alpha in Complex with a Selective Pyridazine Inhibitor | | Descriptor: | 6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE, Mitogen-activated protein kinase 14, SULFATE ION | | Authors: | 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. | | Deposit date: | 2005-02-01 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and synthesis of potent pyridazine inhibitors of p38 MAP kinase.
Bioorg.Med.Chem.Lett., 15, 2005
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1PKQ
 | | Myelin Oligodendrocyte Glycoprotein-(8-18C5) Fab-complex | | Descriptor: | (8-18C5) chimeric Fab, heavy chain, light chain, ... | | Authors: | Breithaupt, C, Schubart, A, Zander, H, Skerra, A, Huber, R, Linington, C, Jacob, U. | | Deposit date: | 2003-06-06 | | Release date: | 2003-07-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into the antigenicity of myelin oligodendrocyte glycoprotein
Proc.Natl.Acad.Sci.USA, 100, 2003
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1ZEQ
 | | 1.5 A Structure of apo-CusF residues 6-88 from Escherichia coli | | Descriptor: | Cation efflux system protein cusF | | Authors: | Loftin, I.R, Franke, S, Roberts, S.A, Weichsel, A, Heroux, A, Montfort, W.R, Rensing, C, McEvoy, M.M. | | Deposit date: | 2005-04-19 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A Novel Copper-Binding Fold for the Periplasmic Copper Resistance Protein CusF.
Biochemistry, 44, 2005
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2WJ5
 | | Rat alpha crystallin domain | | Descriptor: | HEAT SHOCK PROTEIN BETA-6 | | Authors: | Naylor, C.E, Bagneris, C, Bateman, O.A, Cronin, N, Keep, N.H, Slingsby, C. | | Deposit date: | 2009-05-22 | | Release date: | 2009-08-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Crystal Structures of Alpha-Crystallin Domain Dimers of Alphab-Crystallin and Hsp20.
J.Mol.Biol., 392, 2009
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3O5N
 | | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | | Descriptor: | (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 | | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.
Chemmedchem, 6, 2011
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2A50
 | | fluorescent protein asFP595, wt, off-state | | Descriptor: | GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2 | | Authors: | 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. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
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3T4N
 | | Structure of the regulatory fragment of Saccharomyces cerevisiae AMPK in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | | Authors: | 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. | | Deposit date: | 2011-07-26 | | Release date: | 2011-11-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase.
Cell Metab, 14, 2011
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2A53
 | | fluorescent protein asFP595, A143S, off-state | | Descriptor: | CHLORIDE ION, GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2 | | Authors: | 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. | | Deposit date: | 2005-06-30 | | Release date: | 2005-08-16 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
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7LMA
 | | Tetrahymena telomerase T3D2 structure at 3.3 Angstrom | | Descriptor: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | | Authors: | He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J. | | Deposit date: | 2021-02-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of telomerase at several steps of telomere repeat synthesis.
Nature, 593, 2021
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7LMB
 | | Tetrahymena telomerase T5D5 structure at 3.8 Angstrom | | Descriptor: | Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ... | | Authors: | He, Y, Wang, Y, Liu, B, Helmling, C, Susac, L, Cheng, R, Zhou, Z.H, Feigon, J. | | Deposit date: | 2021-02-05 | | Release date: | 2021-05-12 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structures of telomerase at several steps of telomere repeat synthesis.
Nature, 593, 2021
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3P4U
 | | Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor | | Descriptor: | Ac-VEID-CHO inhibitor, Caspase-6 | | Authors: | Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. | | Deposit date: | 2010-10-07 | | Release date: | 2011-09-28 | | Last modified: | 2015-12-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of active and inhibitor-bound human Casp6
To be Published
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4C4X
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9 | | Descriptor: | 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | 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. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4Z
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8 | | Descriptor: | 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | 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. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4C4Y
 | | Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4 | | Descriptor: | 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2 | | Authors: | 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. | | Deposit date: | 2013-09-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2QIF
 | | Crystal structure of a metallochaperone with a tetranuclear Cu(I) cluster | | Descriptor: | ACETATE ION, CALCIUM ION, COPPER (I) ION, ... | | Authors: | West, C, Singleton, C, Kihlken, M.A, Le Brun, N.E, Hemmings, A.M. | | Deposit date: | 2007-07-04 | | Release date: | 2008-07-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A tetranuclear Cu(I) cluster in the metallochaperone protein CopZ.
Biochemistry, 48, 2009
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2XFK
 | | 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 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-07 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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2XFJ
 | | 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 | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2010-05-24 | | Release date: | 2010-07-07 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Bace-1 Inhibitors Using Novel Edge-to-Face Interaction with Arg-296
Bioorg.Med.Chem.Lett., 20, 2010
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1O9C
 | | Structural view of a fungal toxin acting on a 14-3-3 regulatory complex | | Descriptor: | 14-3-3-LIKE PROTEIN C, CHLORIDE ION, CITRATE ANION | | Authors: | Wurtele, M, Jelich-Ottmann, C, Wittinghofer, A, Oecking, C. | | Deposit date: | 2002-12-12 | | Release date: | 2003-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural View of a Fungal Toxin Acting on a 14-3-3 Regulatory Complex
Embo J., 22, 2003
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