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PDB: 1228 件

1IDD
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ISOCITRATE DEHYDROGENASE Y160F MUTANT APO ENZYME
分子名称: ISOCITRATE DEHYDROGENASE
著者Lee, M.E, Dyer, D.H, Klein, O.D, Bolduc, J.M, Stoddard, B.L, Koshland Junior, D.E.
登録日1995-01-18
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
8DDG
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BU of 8ddg by Molmil
FYF peptide forms a standard beta-sheet
分子名称: PHE-TYR-PHE
著者Sawaya, M.R, Hazari, A, Eisenberg, D.E, Vlahakis, N.W.
登録日2022-06-18
公開日2022-09-28
最終更新日2024-05-22
実験手法ELECTRON CRYSTALLOGRAPHY (0.9 Å)
主引用文献The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDH
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Racemic mixture of FYF peptide reveals rippled beta-sheet
分子名称: PHE-TYR-PHE
著者Sawaya, M.R, Hazari, A, Eisenberg, D.E.
登録日2022-06-18
公開日2022-09-28
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
8DDF
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BU of 8ddf by Molmil
Quasi-racemic mixture of L-FWF and D-FYF peptide reveals rippled beta-sheet
分子名称: 1,1,1,3,3,3-hexafluoropropan-2-ol, DPN-DTY-DPN, PHE-TRP-PHE
著者Sawaya, M.R, Hazari, A, Eisenberg, D.E.
登録日2022-06-18
公開日2022-09-28
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The rippled beta-sheet layer configuration-a novel supramolecular architecture based on predictions by Pauling and Corey.
Chem Sci, 13, 2022
1ZDM
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BU of 1zdm by Molmil
Crystal Structure of Activated CheY Bound to Xe
分子名称: Chemotaxis protein cheY, MANGANESE (II) ION, XENON
著者Lowery, T.J, Doucleff, M, Ruiz, E.J, Rubin, S.M, Pines, A, Wemmer, D.E.
登録日2005-04-14
公開日2005-04-26
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Distinguishing multiple chemotaxis Y protein conformations with laser-polarized 129Xe NMR.
Protein Sci., 14, 2005
1TLP
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BU of 1tlp by Molmil
CRYSTALLOGRAPHIC STRUCTURAL ANALYSIS OF PHOSPHORAMIDATES AS INHIBITORS AND TRANSITION-STATE ANALOGS OF THERMOLYSIN
分子名称: CALCIUM ION, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, THERMOLYSIN, ...
著者Tronrud, D.E, Monzingo, A.F, Matthews, B.W.
登録日1987-06-29
公開日1989-01-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic structural analysis of phosphoramidates as inhibitors and transition-state analogs of thermolysin.
Eur.J.Biochem., 157, 1986
3IYP
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BU of 3iyp by Molmil
The Interaction of Decay-accelerating Factor with Echovirus 7
分子名称: Capsid protein, Complement decay-accelerating factor, LAURIC ACID, ...
著者Plevka, P, Hafenstein, S, Zhang, Y, Harris, K.G, Cifuente, J.O, Bowman, V.D, Chipman, P.R, Lin, F, Medof, D.E, Bator, C.M, Rossmann, M.G.
登録日2010-04-07
公開日2010-11-24
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (7.2 Å)
主引用文献Interaction of decay-accelerating factor with echovirus 7.
J.Virol., 84, 2010
3K3B
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BU of 3k3b by Molmil
Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline
分子名称: 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
著者Bussiere, D.E, Bellamacina, C, Le, V.
登録日2009-10-02
公開日2009-12-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.
Bioorg.Med.Chem.Lett., 20, 2010
1IDC
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BU of 1idc by Molmil
ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY
分子名称: 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION
著者Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
登録日1995-01-18
公開日1996-03-08
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1IDF
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BU of 1idf by Molmil
ISOCITRATE DEHYDROGENASE K230M MUTANT APO ENZYME
分子名称: ISOCITRATE DEHYDROGENASE
著者Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
登録日1995-01-18
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
1IDE
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BU of 1ide by Molmil
ISOCITRATE DEHYDROGENASE Y160F MUTANT STEADY-STATE INTERMEDIATE COMPLEX (LAUE DETERMINATION)
分子名称: ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ...
著者Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L.
登録日1995-01-18
公開日1996-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase.
Science, 268, 1995
4ZLO
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BU of 4zlo by Molmil
Serine/threonine-protein kinase PAK1 complexed with a dibenzodiazepine: identification of an allosteric site on PAK1
分子名称: 2,8-difluoro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine, GLYCEROL, Serine/threonine-protein kinase PAK 1
著者Bellamacina, C.R, Bussiere, D.E.
登録日2015-05-01
公開日2015-08-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor.
Acs Med.Chem.Lett., 6, 2015
2BXJ
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BU of 2bxj by Molmil
Double Mutant of the Ribosomal Protein S6
分子名称: 30S RIBOSOMAL PROTEIN S6
著者Otzen, D.E.
登録日2005-07-26
公開日2005-10-26
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Antagonism, Non-Native Interactions and Non-Two-State Folding in S6 Revealed by Double-Mutant Cycle Analysis.
Protein Eng.Des.Sel., 18, 2005
2BBI
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BU of 2bbi by Molmil
THREE-DIMENSIONAL STRUCTURE OF SOYBEAN TRYPSIN(SLASH)CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR IN SOLUTION
分子名称: TRYPSIN/CHYMOTRYPSIN BOWMAN-BIRK INHIBITOR
著者Werner, M.H, Wemmer, D.E.
登録日1991-09-19
公開日1993-10-31
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of soybean trypsin/chymotrypsin Bowman-Birk inhibitor in solution.
Biochemistry, 31, 1992
5BUI
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BU of 5bui by Molmil
ERK2 complexed with 2-pyridiyl tetrahydroazaindazole
分子名称: 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BUE
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BU of 5bue by Molmil
ERK2 complexed with N-benzylpyridone tetrahydroazaindazole
分子名称: 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
2B0M
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BU of 2b0m by Molmil
Human dihydroorotate dehydrogenase bound to a novel inhibitor
分子名称: 3-AMIDO-5-BIPHENYL-BENZOIC ACID, Dihydroorotate dehydrogenase, mitochondrial, ...
著者Hurt, D.E, Sutton, A.E, Clardy, J.
登録日2005-09-14
公開日2005-09-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase.
Bioorg.Med.Chem.Lett., 16, 2006
5BUJ
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BU of 5buj by Molmil
ERK2 complexed with a N-H tetrahydroazaindazole
分子名称: 4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1
著者Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T.
登録日2015-06-03
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
5BRL
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BU of 5brl by Molmil
Crystal Structure of L124D STARD4
分子名称: StAR-related lipid transfer protein 4
著者Iaea, D.B, Dikiy, I, Kiburu, I, Eliezer, D.E, Maxfield, F.R.
登録日2015-05-31
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.003 Å)
主引用文献STARD4 Membrane Interactions and Sterol Binding.
Biochemistry, 54, 2015
1CMT
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BU of 1cmt by Molmil
THE ROLE OF ASPARTATE-235 IN THE BINDING OF CATIONS TO AN ARTIFICIAL CAVITY AT THE RADICAL SITE OF CYTOCHROME C PEROXIDASE
分子名称: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
著者Fitzgerald, M.M, Trester, M.L, Jensen, G.M, Mcree, D.E, Goodin, D.B.
登録日1995-04-11
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The role of aspartate-235 in the binding of cations to an artificial cavity at the radical site of cytochrome c peroxidase.
Protein Sci., 4, 1995
1F4V
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BU of 1f4v by Molmil
CRYSTAL STRUCTURE OF ACTIVATED CHEY BOUND TO THE N-TERMINUS OF FLIM
分子名称: BERYLLIUM TRIFLUORIDE ION, CHEMOTAXIS CHEY PROTEIN, FLAGELLAR MOTOR SWITCH PROTEIN, ...
著者Lee, S.Y, Cho, H.S, Pelton, J.G, Yan, D, Henderson, R.K, King, D, Huang, L.S, Kustu, S, Berry, E.A, Wemmer, D.E.
登録日2000-06-10
公開日2001-01-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of an activated response regulator bound to its target.
Nat.Struct.Biol., 8, 2001
1FOX
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BU of 1fox by Molmil
NMR STRUCTURE OF L11-C76, THE C-TERMINAL DOMAIN OF 50S RIBOSOMAL PROTEIN L11, 33 STRUCTURES
分子名称: L11-C76
著者Markus, M.A, Hinck, A.P, Huang, S, Draper, D.E, Torchia, D.A.
登録日1996-09-13
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High resolution solution structure of ribosomal protein L11-C76, a helical protein with a flexible loop that becomes structured upon binding to RNA.
Nat.Struct.Biol., 4, 1997
1FOW
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BU of 1fow by Molmil
NMR STRUCTURE OF L11-C76, THE C-TERMINAL DOMAIN OF 50S RIBOSOMAL PROTEIN L11, MINIMIZED AVERAGE STRUCTURE
分子名称: L11-C76
著者Markus, M.A, Hinck, A.P, Huang, S, Draper, D.E, Torchia, D.A.
登録日1996-09-13
公開日1997-03-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High resolution solution structure of ribosomal protein L11-C76, a helical protein with a flexible loop that becomes structured upon binding to RNA.
Nat.Struct.Biol., 4, 1997
2JRL
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BU of 2jrl by Molmil
Solution structure of the beryllofluoride-activated NtrC4 receiver domain dimer
分子名称: Transcriptional regulator (NtrC family)
著者Lee, C, Hong, E, Doucleff, M, Pelton, J.G, Wemmer, D.E, Berkeley Structural Genomics Center (BSGC)
登録日2007-06-27
公開日2008-07-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution Structure of the Beryllofluoride-Activated NtrC4 Receiver Domain Dimer.
To be Published
6BFE
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BU of 6bfe by Molmil
BACE crystal structure with hydroxy pyrrolidine inhibitor
分子名称: Beta-secretase 1, GLYCEROL, N-[(1R,2S)-1-[(2R,4R)-4-(cyclohexylmethoxy)pyrrolidin-2-yl]-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl]acetamide
著者Timm, D.E.
登録日2017-10-26
公開日2017-11-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Optimization of Hydroxyethylamine Transition State Isosteres as Aspartic Protease Inhibitors by Exploiting Conformational Preferences.
J. Med. Chem., 60, 2017

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