4OVV
 
 | | Crystal Structure of PI3Kalpha in complex with diC4-PIP2 | | Descriptor: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE, PHOSPHATE ION, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M, Amzel, L.M. | | Deposit date: | 2014-01-14 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
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3VHV
 | | Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist | | Descriptor: | 1,2-ETHANEDIOL, 6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one, 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one, ... | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2011-09-07 | | Release date: | 2011-12-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Identification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
J.Med.Chem., 54, 2011
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2GT4
 | | Crystal Structure of the Y103F mutant of the GDP-mannose mannosyl hydrolase in complex with GDP-mannose and MG+2 | | Descriptor: | GDP-mannose mannosyl hydrolase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Azurmendi, H.F, Mildvan, A.S, Amzel, L.A. | | Deposit date: | 2006-04-27 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray, NMR, and mutational studies of the catalytic cycle of the GDP-mannose mannosyl hydrolase reaction.
Biochemistry, 45, 2006
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2GT2
 | | Structure of the E. coli GDP-mannose mannosyl hydrolase | | Descriptor: | GDP-mannose mannosyl hydrolase | | Authors: | Gabelli, S.B, Bianchet, M.A, Azurmendi, H.F, MIldvan, A.S, Amzel, L.M. | | Deposit date: | 2006-04-27 | | Release date: | 2006-12-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-ray, NMR, and mutational studies of the catalytic cycle of the GDP-mannose mannosyl hydrolase reaction.
Biochemistry, 45, 2006
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3WFF
 | | Mineralocorticoid receptor ligand-binding domain with compound 2b | | Descriptor: | 6-[4-(2,4-difluorophenyl)-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor, PHOSPHATE ION | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013
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3WFG
 | | Mineralocorticoid receptor ligand-binding domain with compuond 2e | | Descriptor: | 1,2-ETHANEDIOL, 6-[(2S)-4-(4-fluorophenyl)-2-methyl-5-oxo-2,5-dihydrofuran-3-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2013-07-19 | | Release date: | 2013-08-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 21, 2013
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4HXX
 | | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1 | | Descriptor: | (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Gabelli, S.B, Zhang, F, Liu, J, Amzel, L.M. | | Deposit date: | 2012-11-12 | | Release date: | 2013-04-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.
Bioorg.Med.Chem., 21, 2013
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5GU7
 | | Crystal Structure of human ERp44 form II | | Descriptor: | Endoplasmic reticulum resident protein 44 | | Authors: | Watanabe, S, Inaba, K. | | Deposit date: | 2016-08-26 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis of pH-dependent client binding by ERp44, a key regulator of protein secretion at the ER-Golgi interface
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5GU6
 | | Crystal structure of Human ERp44 form I | | Descriptor: | CHLORIDE ION, Endoplasmic reticulum resident protein 44 | | Authors: | Watanabe, S, Inaba, K. | | Deposit date: | 2016-08-26 | | Release date: | 2017-04-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of pH-dependent client binding by ERp44, a key regulator of protein secretion at the ER-Golgi interface
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5H5S
 | | Crystal structure of human GPX4 in complex with GXpep-3 | | Descriptor: | GLYCEROL, GXpep-3, Phospholipid hydroperoxide glutathione peroxidase, ... | | Authors: | Sogabe, S, Kadotani, A, Lane, W, Snell, G. | | Deposit date: | 2016-11-09 | | Release date: | 2016-12-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of GPX4 inhibitory peptides from random peptide T7 phage display and subsequent structural analysis
Biochem. Biophys. Res. Commun., 482, 2017
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4OVU
 | | Crystal Structure of p110alpha in complex with niSH2 of p85alpha | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Gabelli, S.B, Vogelstein, B, Miller, M.S, Amzel, L.M. | | Deposit date: | 2014-01-14 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Structural basis of nSH2 regulation and lipid binding in PI3K alpha.
Oncotarget, 5, 2014
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4OVN
 | | Voltage-gated Sodium Channel 1.5 (Nav1.5) C-terminal domain in complex with Calmodulin poised for activation | | Descriptor: | Calmodulin, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Boto, A, Jakoncic, J, Tomaselli, G.F, Amzel, L.M. | | Deposit date: | 2013-12-10 | | Release date: | 2014-12-03 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulation of the NaV1.5 cytoplasmic domain by calmodulin.
Nat Commun, 5, 2014
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1RYA
 | | Crystal Structure of the E. coli GDP-mannose mannosyl hydrolase in complex with GDP and MG | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GDP-mannose mannosyl hydrolase, ... | | Authors: | Gabelli, S.B, Bianchet, M.A, Legler, P.M, Mildvan, A.S, Amzel, L.M. | | Deposit date: | 2003-12-20 | | Release date: | 2004-06-22 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure and mechanism of GDP-mannose glycosyl hydrolase, a Nudix enzyme that cleaves at carbon instead of phosphorus.
Structure, 12, 2004
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4IU6
 | | Human Methionine Aminopeptidase in complex with FZ1: Pyridinylquinazolines Selectively Inhibit Human Methionine Aminopeptidase-1 | | Descriptor: | 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline, COBALT (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Gabelli, S.B, Zhang, F, Miller, M, Liu, J, Amzel, L.M. | | Deposit date: | 2013-01-19 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells.
J.Med.Chem., 56, 2013
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1IY8
 | | Crystal Structure of Levodione Reductase | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, LEVODIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Sogabe, S, Fukami, T, Shiratori, Y, Yoshizumi, A, Wada, M. | | Deposit date: | 2002-07-25 | | Release date: | 2003-05-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure and Stereospecificity of Levodione Reductase from Corynebacterium aquaticum M-13
J.BIOL.CHEM., 278, 2003
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1YHL
 | | Structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with risedronate, dmapp and mg+2 | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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1YHK
 | | Trypanosoma cruzi farnesyl diphosphate synthase | | Descriptor: | SULFATE ION, farnesyl pyrophosphate synthase | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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4PF3
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | Descriptor: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
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1YHM
 | | Structure of the complex of Trypanosoma cruzi farnesyl disphosphate synthase with alendronate, Isopentenyl diphosphate and mg+2 | | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, 4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE, MAGNESIUM ION, ... | | Authors: | Gabelli, S.B, McLellan, J.S, Montalvetti, A, Oldfield, E, Docampo, R, Amzel, L.M. | | Deposit date: | 2005-01-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and mechanism of the farnesyl diphosphate synthase from Trypanosoma cruzi: Implications for drug design.
Proteins, 62, 2005
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4W96
 | | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 followed by the reaction in deoxy-myoglobin solution | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-31 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
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3H7G
 | | Apo-FR with AU ions | | Descriptor: | CADMIUM ION, Ferritin light chain, GLYCEROL, ... | | Authors: | Abe, M, Ueno, T, Abe, S, Suzuki, M, Goto, T, Toda, Y, Akita, T, Yamada, Y, Watanabe, Y. | | Deposit date: | 2009-04-27 | | Release date: | 2009-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Preparation and catalytic reaction of Au/Pd bimetallic nanoparticles in apo-ferritin
Chem.Commun.(Camb.), 32, 2009
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3FI6
 | | apo-H49AFr with high content of Pd ions | | Descriptor: | CADMIUM ION, Ferritin light chain, PALLADIUM ION, ... | | Authors: | Abe, M, Ueno, T, Hirata, K, Suzuki, M, Abe, S, Shimizu, N, Yamaoto, M, Takata, M, Watanabe, Y. | | Deposit date: | 2008-12-11 | | Release date: | 2009-04-07 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Process of Accumulation of Metal Ions on the Interior Surface of apo-Ferritin: Crystal Structures of a Series of apo-Ferritins Containing Variable Quantities of Pd(II) Ions
J.Am.Chem.Soc., 131, 2009
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4W94
 | | Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2 | | Descriptor: | CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ... | | Authors: | Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T. | | Deposit date: | 2014-08-27 | | Release date: | 2014-12-31 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
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2Z5Q
 | | Apo-Fr with intermediate content of Pd ion | | Descriptor: | CADMIUM ION, Ferritin light chain, GLYCEROL, ... | | Authors: | Ueno, T, Hirata, K, Abe, M, Suzuki, M, Abe, S, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y. | | Deposit date: | 2007-07-16 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Process of accumulation of metal ions on the interior surface of apo-ferritin: crystal structures of a series of apo-ferritins containing variable quantities of Pd(II) ions.
J.Am.Chem.Soc., 131, 2009
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2Z5R
 | | Apo-Fr with high content of Pd ions | | Descriptor: | CADMIUM ION, Ferritin light chain, PALLADIUM ION | | Authors: | Ueno, T, Hirata, K, Abe, M, Suzuki, M, Abe, S, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y. | | Deposit date: | 2007-07-16 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Process of accumulation of metal ions on the interior surface of apo-ferritin: crystal structures of a series of apo-ferritins containing variable quantities of Pd(II) ions.
J.Am.Chem.Soc., 131, 2009
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