4U9W
 
 | | Crystal Structure of NatD bound to H4/H2A peptide and CoA | | Descriptor: | COENZYME A, GLYCEROL, Histone H4/H2A N-terminus, ... | | Authors: | Magin, R.S, Liszczak, G.P, Marmorstein, R. | | Deposit date: | 2014-08-06 | | Release date: | 2015-01-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | The Molecular Basis for Histone H4- and H2A-Specific Amino-Terminal Acetylation by NatD.
Structure, 23, 2015
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2MCW
 | | Solid-state NMR structure of piscidin 3 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers | | Descriptor: | Piscidin-3 | | Authors: | Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L. | | Deposit date: | 2013-08-27 | | Release date: | 2014-01-22 | | Last modified: | 2014-03-19 | | Method: | SOLID-STATE NMR | | Cite: | High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
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3VV6
 | | Crystal Structure of beta secetase in complex with 2-amino-3-methyl-6-((1S, 2R)-2-phenylcyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-phenylcyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode
J.Med.Chem., 55, 2012
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2MCV
 | | Solid-state NMR structure of piscidin 1 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers | | Descriptor: | Moronecidin | | Authors: | Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Hayden, R.M, Pastor, R.W, Cotten, M.L. | | Deposit date: | 2013-08-27 | | Release date: | 2014-01-22 | | Last modified: | 2014-03-19 | | Method: | SOLID-STATE NMR | | Cite: | High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
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3VG6
 | | Barium derivative of human LFABP | | Descriptor: | BARIUM ION, Fatty acid-binding protein, liver, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3VG2
 | | Iodide derivative of human LFABP | | Descriptor: | Fatty acid-binding protein, liver, IODIDE ION, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3VZN
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2012-10-15 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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3VMO
 | | Crystal structure of dextranase from Streptococcus mutans in complex with isomaltotriose | | Descriptor: | Dextranase, PHOSPHATE ION, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose, ... | | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Okuyama, M, Mori, H, Funane, K, Kimura, A. | | Deposit date: | 2011-12-14 | | Release date: | 2012-02-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural elucidation of dextran degradation mechanism by streptococcus mutans dextranase belonging to glycoside hydrolase family 66
J.Biol.Chem., 287, 2012
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3MIS
 | | I-MsoI re-designed for altered DNA cleavage specificity (-8G) | | Descriptor: | CALCIUM ION, DNA (5'-D(*CP*GP*GP*AP*GP*CP*TP*GP*TP*CP*TP*CP*AP*CP*GP*AP*CP*GP*TP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*GP*AP*CP*GP*TP*CP*GP*TP*GP*AP*GP*AP*CP*AP*GP*CP*TP*CP*CP*G)-3'), ... | | Authors: | Taylor, G.K, Stoddard, B.L. | | Deposit date: | 2010-04-12 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational reprogramming of homing endonuclease specificity at multiple adjacent base pairs.
Nucleic Acids Res., 38, 2010
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3VV8
 | | Crystal structure of beta secetase in complex with 2-amino-3-methyl-6-((1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl)pyrimidin-4(3H)-one | | Descriptor: | 2-amino-3-methyl-6-[(1S,2R)-2-(3'-methylbiphenyl-4-yl)cyclopropyl]pyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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2MI5
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2MCX
 | | Solid-state NMR structure of piscidin 3 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers | | Descriptor: | Piscidin-3 | | Authors: | Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Wieczorek, W.E, Pastor, R.W, Cotten, M.L. | | Deposit date: | 2013-08-27 | | Release date: | 2014-01-22 | | Last modified: | 2021-08-18 | | Method: | SOLID-STATE NMR | | Cite: | High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
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3VG5
 | | Barium derivative of human LFABP | | Descriptor: | BARIUM ION, Fatty acid-binding protein, liver, ... | | Authors: | Sharma, A, Yogavel, M, Sharma, A. | | Deposit date: | 2011-08-03 | | Release date: | 2012-06-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Utility of anion and cation combinations for phasing of protein structures.
J.Struct.Funct.Genom., 13, 2012
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3W1F
 | | Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide | | Descriptor: | 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide, Dual specificity protein kinase TTK | | Authors: | Kusakabe, K, Ide, N, Daigo, Y, Tachibana, Y, Itoh, T, Yamamoto, T, Hashizume, H, Hato, Y, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Yasuo, K, Maeda, M, Higaki, M, Ueda, K, Yoshizawa, H, Baba, Y, Shiota, T, Murai, H, Nakamura, Y. | | Deposit date: | 2012-11-14 | | Release date: | 2013-06-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
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3VNA
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3VID
 | | Crystal structure of human VEGFR2 kinase domain with Compound A. | | Descriptor: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2 | | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | | Deposit date: | 2011-09-29 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
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2MCU
 | | Solid-state NMR structure of piscidin 1 in aligned 3:1 phosphatidylcholine/phosphoglycerol lipid bilayers | | Descriptor: | Moronecidin | | Authors: | Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Pastor, R.W, Cotten, M.L. | | Deposit date: | 2013-08-27 | | Release date: | 2014-01-22 | | Last modified: | 2014-03-19 | | Method: | SOLID-STATE NMR | | Cite: | High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion.
J.Am.Chem.Soc., 136, 2014
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4V11
 | | Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84 | | Descriptor: | CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ... | | Authors: | Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R. | | Deposit date: | 2014-09-22 | | Release date: | 2015-02-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1.
J.Neurosci., 35, 2015
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3VZM
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) E172H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose | | Descriptor: | Endo-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2012-10-15 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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3VV7
 | | Crystal Structure of beta secetase in complex with 2-amino-6-((1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl)-3-methylpyrimidin-4(3H)-one | | Descriptor: | 2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one, Beta-secretase 1, GLYCEROL, ... | | Authors: | Yonezawa, S, Yamamoto, T, Yamakawa, H, Muto, C, Hosono, M, Hattori, K, Higashino, K, Sakagami, M, Togame, H, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S. | | Deposit date: | 2012-07-17 | | Release date: | 2012-10-24 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Conformational restriction approach to beta-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode.
J.Med.Chem., 55, 2012
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3VZK
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35E mutant | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION | | Authors: | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2012-10-14 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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3VZO
 | | Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) N35H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose | | Descriptor: | Endo-1,4-beta-xylanase, SULFATE ION, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P. | | Deposit date: | 2012-10-15 | | Release date: | 2013-05-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
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3VZV
 | | Crystal structure of human mdm2 with a dihydroimidazothiazole inhibitor | | Descriptor: | 1-{[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-yl]carbonyl}-N,N-dimethyl-L-prolinamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Shimizu, H, Katakura, S, Miyazaki, M, Naito, H, Sugimoto, Y, Kawato, H, Okayama, T, Soga, T. | | Deposit date: | 2012-10-16 | | Release date: | 2013-02-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold
Bioorg.Med.Chem.Lett., 23, 2013
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2M4J
 | | 40-residue beta-amyloid fibril derived from Alzheimer's disease brain | | Descriptor: | Amyloid beta A4 protein | | Authors: | Lu, J, Qiang, W, Meredith, S.C, Yau, W, Schweiters, C.D, Tycko, R. | | Deposit date: | 2013-02-05 | | Release date: | 2013-09-25 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Molecular Structure of beta-Amyloid Fibrils in Alzheimer's Disease Brain Tissue.
Cell(Cambridge,Mass.), 154, 2013
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3WWO
 | | S-selective hydroxynitrile lyase from Baliospermum montanum (apo1) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, (S)-hydroxynitrile lyase, CALCIUM ION | | Authors: | Nakano, S, Dadashipour, M, Asano, Y. | | Deposit date: | 2014-06-23 | | Release date: | 2014-10-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural and functional analysis of hydroxynitrile lyase from Baliospermum montanum with crystal structure, molecular dynamics and enzyme kinetics
Biochim.Biophys.Acta, 1844, 2014
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