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2FJP
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BU of 2fjp by Molmil
Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ...
著者Scapin, G, Patel, S.B, Becker, J.W.
登録日2006-01-03
公開日2006-07-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献(2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
3GY7
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BU of 3gy7 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
2JIR
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BU of 2jir by Molmil
A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand
分子名称: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CYANIDE ION, IRON/SULFUR CLUSTER, ...
著者Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J.
登録日2007-06-28
公開日2008-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum.
J.Biol.Inorg.Chem., 13, 2008
3NWR
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BU of 3nwr by Molmil
Crystal structure of a rubisco-like protein from Burkholderia fungorum
分子名称: A rubisco-like protein, GLYCEROL, SULFATE ION
著者Fedorov, A.A, Fedorov, E.V, Imker, H.J, Gerlt, J.A, Almo, S.C.
登録日2010-07-10
公開日2010-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献Crystal structure of a rubisco-like protein from Burkholderia fungorum
To be Published
3EXB
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BU of 3exb by Molmil
Crystal structure of Cytochrome C Peroxidase with a Proposed Electron Pathway Excised in a Complex with a Peptide Wire
分子名称: Cytochrome c peroxidase, N-[3-(1H-BENZIMIDAZOL-1-YL)PROPANOYL]GLYCYL-L-ALANYL-L-ALANINAMIDE, PROTOPORPHYRIN IX CONTAINING FE
著者Putnam, A.-M.A, Lee, Y.-T, Goodin, D.B.
登録日2008-10-16
公開日2009-01-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Replacement of an electron transfer pathway in cytochrome c peroxidase with a surrogate peptide
Biochemistry, 48, 2009
2QK7
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BU of 2qk7 by Molmil
A covalent S-F heterodimer of staphylococcal gamma-hemolysin
分子名称: Gamma-hemolysin component A, Gamma-hemolysin component B
著者Roblin, P, Guillet, V, Maveyraud, L, Mourey, L.
登録日2007-07-10
公開日2008-02-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent S-F heterodimer of leucotoxin reveals molecular plasticity of beta-barrel pore-forming toxins.
Proteins, 71, 2008
1CXY
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BU of 1cxy by Molmil
STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5
分子名称: CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE
著者Kostanjevecki, V, Leys, D, Van Driessche, G, Meyer, T.E, Cusanovich, M.A, Fischer, U, Guisez, Y, Van Beeumen, J.
登録日1999-08-31
公開日1999-09-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure and characterization of Ectothiorhodospira vacuolata cytochrome b(558), a prokaryotic homologue of cytochrome b(5).
J.Biol.Chem., 274, 1999
4EXK
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BU of 4exk by Molmil
A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 from Salmonella enterica
分子名称: Maltose-binding periplasmic protein, uncharacterized protein chimera, TRIETHYLENE GLYCOL, ...
著者Nocek, B, Hatzos-Skintges, C, Jedrzejczak, R, Babnigg, G, Brown, R.N, Cort, J.R, Heffron, F, Nakayasu, E.S, Adkins, J.N, Joachimiak, A, Program for the Characterization of Secreted Effector Proteins (PCSEP), Midwest Center for Structural Genomics (MCSG)
登録日2012-04-30
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献A chimera protein containing MBP fused to the C-terminal domain of the uncharacterized protein STM14_2015 form Salmonella enterica
To be Published
3GY3
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BU of 3gy3 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, 1,5-BIS(4-AMIDINOPHENOXY)PENTANE, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY6
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BU of 3gy6 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3GY8
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BU of 3gy8 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
分子名称: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
著者Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
登録日2009-04-03
公開日2010-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3FQM
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BU of 3fqm by Molmil
Crystal structure of a novel dimeric form of HCV NS5A domain I protein
分子名称: GLYCEROL, Non-structural protein 5A, ZINC ION
著者Love, R.A.
登録日2009-01-07
公開日2009-03-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
1IJC
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BU of 1ijc by Molmil
Solution Structure of Bucandin, a Neurotoxin from the Venom of the Malayan Krait
分子名称: bucandin
著者Torres, A.M, Kini, R.M, Nirthanan, S, Kuchel, P.W.
登録日2001-04-25
公開日2001-12-21
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献NMR structure of bucandin, a neurotoxin from the venom of the Malayan krait (Bungarus candidus).
Biochem.J., 360, 2001
212D
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BU of 212d by Molmil
INFLUENCE OF COUNTER-IONS ON THE CRYSTAL STRUCTURES OF DNA DECAMERS: BINDING OF [CO(NH3)6]3+ AND BA2+ TO A-DNA
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3')
著者Gao, Y.-G, Robinson, H, Van Boom, J.H, Wang, A.H.-J.
登録日1995-06-26
公開日1996-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Influence of counter-ions on the crystal structures of DNA decamers: binding of [Co(NH3)6]3+ and Ba2+ to A-DNA.
Biophys.J., 69, 1995
2GVO
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BU of 2gvo by Molmil
Solution structure of a purine rich hexaloop hairpin belonging to PGY/MDR1 mRNA and targeted by antisense oligonucleotides
分子名称: GUANOSINE-5'-MONOPHOSPHATE
著者Joli, F, Bouchemal, N, Laigle, A, Hartmann, B, Hantz, E.
登録日2006-05-03
公開日2007-05-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of a purine rich hexaloop hairpin belonging to PGY/MDR1 mRNA and targeted by antisense oligonucleotides.
Nucleic Acids Res., 34, 2006
3LE6
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BU of 3le6 by Molmil
The structure of cyclin dependent kinase 2 (CKD2) with a pyrazolobenzodiazepine inhibitor
分子名称: 5-(2-chlorophenyl)-3-methyl-7-nitropyrazolo[3,4-b][1,4]benzodiazepine, Cell division protein kinase 2
著者Lukacs, C.M, Swain, A, Crowther, R.L, Kammlott, R.U, Liu, J.J.
登録日2010-01-14
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1HFH
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BU of 1hfh by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
分子名称: FACTOR H, 15TH AND 16TH C-MODULE PAIR
著者Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
登録日1993-02-23
公開日1993-07-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
1HFI
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BU of 1hfi by Molmil
SOLUTION STRUCTURE OF A PAIR OF COMPLEMENT MODULES BY NUCLEAR MAGNETIC RESONANCE
分子名称: FACTOR H, 15TH C-MODULE PAIR
著者Barlow, P.N, Steinkasserer, A, Norman, D.G, Kieffer, B, Wiles, A.P, Sim, R.B, Campbell, I.D.
登録日1993-02-23
公開日1993-07-15
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Solution structure of a pair of complement modules by nuclear magnetic resonance.
J.Mol.Biol., 232, 1993
3FQQ
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BU of 3fqq by Molmil
Crystal structure of a novel dimeric form of HCV NS5A domain I protein
分子名称: 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside, GLYCEROL, Non-structural protein 5A, ...
著者Love, R.A.
登録日2009-01-07
公開日2009-03-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a novel dimeric form of NS5A domain I protein from hepatitis C virus
J.Virol., 83, 2009
1MD4
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BU of 1md4 by Molmil
A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to valine
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, pi glutathione transferase
著者Kong, G.K.-W, Dragani, B, Aceto, A, Cocco, R, Mannervik, B, Stenberg, G, McKinstry, W.J, Polekhina, G, Parker, M.W.
登録日2002-08-06
公開日2002-08-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Contribution of Glycine 146 to a Conserved Folding Module Affecting Stability and Refolding of Human Glutathione Transferase P1-1
J.Biol.Chem., 278, 2003
220D
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BU of 220d by Molmil
INFLUENCE OF COUNTER-IONS ON THE CRYSTAL STRUCTURES OF DNA DECAMERS: BINDING OF [CO(NH3)6]3+ AND BA2+ TO A-DNA
分子名称: BARIUM ION, DNA (5'-D(*AP*CP*CP*CP*GP*CP*GP*GP*GP*T)-3')
著者Gao, Y.-G, Robinson, H, Van Boom, J.H, Wang, A.H.-J.
登録日1995-06-26
公開日1996-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Influence of counter-ions on the crystal structures of DNA decamers: binding of [Co(NH3)6]3+ and Ba2+ to A-DNA.
Biophys.J., 69, 1995
3HU7
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BU of 3hu7 by Molmil
Structural characterization and binding studies of a plant pathogenesis related protein heamanthin from haemanthus multiflorus reveal its dual inhibitory effects against xylanase and alpha-amylase
分子名称: ACETATE ION, Haementhin, PHOSPHATE ION
著者Kumar, S, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2009-06-13
公開日2010-04-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure determination and inhibition studies of a novel xylanase and alpha-amylase inhibitor protein (XAIP) from Scadoxus multiflorus.
Febs J., 277, 2010
2ZAS
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BU of 2zas by Molmil
Crystal structure of human estrogen-related receptor gamma ligand binding domain complex with 4-alpha-cumylphenol, a bisphenol A derivative
分子名称: 4-(1-methyl-1-phenylethyl)phenol, Estrogen-related receptor gamma, GLYCEROL
著者Matsushima, A, Kakuta, Y, Teramoto, T, Shimohigashi, Y.
登録日2007-10-09
公開日2008-10-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner
Biochem.Biophys.Res.Commun., 373, 2008
1EQC
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BU of 1eqc by Molmil
EXO-B-(1,3)-GLUCANASE FROM CANDIDA ALBICANS IN COMPLEX WITH CASTANOSPERMINE AT 1.85 A
分子名称: CASTANOSPERMINE, EXO-(B)-(1,3)-GLUCANASE
著者Cutfield, S.M, Davies, G.J, Murshudov, G, Anderson, B.F, Moody, P.C.E, Sullivan, P.A, Cutfield, J.F.
登録日2000-04-03
公開日2000-10-03
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The structure of the exo-beta-(1,3)-glucanase from Candida albicans in native and bound forms: relationship between a pocket and groove in family 5 glycosyl hydrolases.
J.Mol.Biol., 294, 1999
1VJQ
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BU of 1vjq by Molmil
Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
分子名称: designed protein
著者Merritt, E.A, Baker, D, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2004-03-19
公開日2004-03-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Designed protein based on backbone conformation of procarboxypeptidase-A (1AYE) with sidechains chosen for maximal predicted stability.
To be Published

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