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PDB: 167 件
5A68
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Crystal structure of the AtTTM3 product complex with two orthophosphates and manganese ions (form B)
分子名称: MANGANESE (II) ION, PHOSPHATE ION, TRIPHOSPHATE TUNEL METALLOENZYME 3
著者Martinez, J, Truffault, V, Hothorn, M.
登録日2015-06-24
公開日2015-08-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Determinants for Substrate Binding and Catalysis in Triphosphate Tunnel Metalloenzymes.
J.Biol.Chem., 290, 2015
3E1X
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The Crystal Structure of Apo Prostasin at 1.7 Angstroms Resolution
分子名称: GLYCEROL, Prostasin
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2008-08-04
公開日2009-05-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
3FVF
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The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution
分子名称: 1-[4-(hydroxymethyl)phenyl]guanidine, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Spraggon, G, Hornsby, M, Shipway, A, Harris, J.L, Lesley, S.A.
登録日2009-01-15
公開日2009-05-05
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations.
Protein Sci., 18, 2009
1ZR3
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Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form B)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, histone macroH2A1.1
著者Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
登録日2005-05-19
公開日2006-02-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005
1ZR5
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Crystal structure of the macro-domain of human core histone variant macroH2A1.2
分子名称: H2AFY protein
著者Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
登録日2005-05-19
公開日2005-06-21
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.92 Å)
主引用文献Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005
2OP3
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The structure of cathepsin S with a novel 2-arylphenoxyacetaldehyde inhibitor derived by the Substrate Activity Screening (SAS) method
分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL, Cathepsin S, ...
著者Spraggon, G, Inagaki, H, Tsuruoka, H, Hornsby, M, Lesley, S.A, Ellman, J.A.
登録日2007-01-26
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.
J.Med.Chem., 50, 2007
2I8C
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Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
分子名称: ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, MAGNESIUM ION, ...
著者Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R.
登録日2006-09-01
公開日2006-09-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HHN
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Cathepsin S in complex with non covalent arylaminoethyl amide.
分子名称: Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日2006-06-28
公開日2007-05-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers
Bioorg.Med.Chem.Lett., 16, 2006
2HH5
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Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
分子名称: CHLORIDE ION, Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, ...
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S.
登録日2006-06-27
公開日2006-08-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.
Bioorg.Med.Chem.Lett., 16, 2006
2I80
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Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
分子名称: 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE, D-alanine-D-alanine ligase
著者Liu, S, Chang, J.S, Herberg, J.T, Horng, M.-M, Tomich, P.K, Lin, A.H, Marotti, K.R.
登録日2006-08-31
公開日2006-09-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2HRA
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Crystal structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA aminoacylation and nuclear export cofactor Arc1p reveal a novel function for an old fold
分子名称: Glutamyl-tRNA synthetase, cytoplasmic, IODIDE ION
著者Simader, H, Hothorn, M, Suck, D.
登録日2006-07-20
公開日2006-09-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA-aminoacylation and nuclear-export cofactor Arc1p reveal a novel function for an old fold.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2HQT
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BU of 2hqt by Molmil
Crystal structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA aminoacylation and nuclear export cofactor Arc1p reveal a novel function for an old fold
分子名称: GU4 nucleic-binding protein 1, SULFATE ION
著者Simader, H, Hothorn, M, Suck, D.
登録日2006-07-19
公開日2006-09-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structures of the interacting domains from yeast glutamyl-tRNA synthetase and tRNA-aminoacylation and nuclear-export cofactor Arc1p reveal a novel function for an old fold.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
2I87
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BU of 2i87 by Molmil
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
分子名称: D-alanine-D-alanine ligase, SULFATE ION
著者Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R.
登録日2006-09-01
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2F1G
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BU of 2f1g by Molmil
Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
分子名称: Cathepsin S, GLYCEROL, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE
著者Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K.
登録日2005-11-14
公開日2006-04-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.
Bioorg.Med.Chem.Lett., 16, 2006
2H7J
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Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor.
分子名称: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE
著者Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A.
登録日2006-06-02
公開日2006-10-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
2HXZ
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Crystal Structure of Cathepsin S in complex with a Nonpeptidic Inhibitor (Hexagonal spacegroup)
分子名称: Cathepsin S, N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT-3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}-1,2-DIMETHYLPROPYL]BENZAMIDE, SULFATE ION
著者Patterson, A.W, Wood, W.J, Hornsby, M, Lesley, S, Spraggon, G, Ellman, J.A.
登録日2006-08-04
公開日2006-10-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of selective, nonpeptidic nitrile inhibitors of cathepsin s using the substrate activity screening method.
J.Med.Chem., 49, 2006
2FXK
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Crystal structure of the macro-domain of human core histone variant macroH2A1.1 (form A)
分子名称: H2A histone family, member Y isoform 1
著者Kustatscher, G, Hothorn, M, Pugieux, C, Scheffzek, K, Ladurner, A.G.
登録日2006-02-06
公開日2006-02-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Splicing regulates NAD metabolite binding to histone macroH2A.
Nat.Struct.Mol.Biol., 12, 2005

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