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1FV2
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The Hc fragment of tetanus toxin complexed with an analogue of its ganglioside receptor GT1B
分子名称: ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PHOSPHATE ION, ...
著者Fotinou, C, Emsley, P, Black, I, Ando, H, Ishida, H, Kiso, M, Sinha, K.A, Fairweather, N.F, Isaacs, N.W.
登録日2000-09-18
公開日2001-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of tetanus toxin Hc fragment complexed with a synthetic GT1b analogue suggests cross-linking between ganglioside receptors and the toxin.
J.Biol.Chem., 276, 2001
1XW5
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Human glutathione s-transferase M2-2 (E.C.2.5.1.18)complexed with glutathione, monoclinic crystal form
分子名称: GLUTATHIONE, Glutathione S-transferase Mu 2
著者Patskovska, L.N, Patskovsky, Y.V, Almo, S.C, Listowsky, I.
登録日2004-10-29
公開日2004-11-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Perturbation of the Active Site of Human Glutathione-S-Transferase M2-2 Upon Ligand Binding
To be Published
1D61
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BU of 1d61 by Molmil
THE STRUCTURE OF THE B-DNA DECAMER C-C-A-A-C-I-T-T-G-G: MONOCLINIC FORM
分子名称: CACODYLATE ION, CALCIUM ION, DNA (5'-D(*CP*CP*AP*AP*CP*IP*TP*TP*GP*G)-3')
著者Lipanov, A, Kopka, M.L, Kaczor-Grzeskowiak, M, Quintana, J, Dickerson, R.E.
登録日1992-02-26
公開日1993-04-15
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of the B-DNA decamer C-C-A-A-C-I-T-T-G-G in two different space groups: conformational flexibility of B-DNA.
Biochemistry, 32, 1993
3NUL
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BU of 3nul by Molmil
Profilin I from Arabidopsis thaliana
分子名称: GLYCEROL, PROFILIN I, SULFATE ION
著者Thorn, K, Christensen, H.E.M, Shigeta, R, Huddler, D, Chua, N.-H, Shalaby, L, Lindberg, U, Schutt, C.E.
登録日1996-11-27
公開日1997-12-03
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of a major allergen from plants.
Structure, 5, 1997
1DLL
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BU of 1dll by Molmil
The HC fragement of tetanus toxin complexed with lactose
分子名称: GLYCEROL, TETANUS TOXIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Emsley, P, Fotinou, C, Black, I, Fairweather, N.F, Charles, I.G, Watts, C, Hewitt, E, Isaacs, N.W.
登録日1999-12-10
公開日2000-03-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structures of the H(C) fragment of tetanus toxin with carbohydrate subunit complexes provide insight into ganglioside binding.
J.Biol.Chem., 275, 2000
1FV3
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THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE OF ITS GANGLIOSIDE RECEPTOR GT1B
分子名称: ETHYL-TRIMETHYL-SILANE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-beta-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, PHOSPHATE ION, ...
著者Fotinou, C, Emsley, P, Black, I, Ando, H, Ishida, H, Kiso, M, Sinha, K.A, Fairweather, N.F, Isaacs, N.W.
登録日2000-09-18
公開日2001-09-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of tetanus toxin Hc fragment complexed with a synthetic GT1b analogue suggests cross-linking between ganglioside receptors and the toxin.
J.Biol.Chem., 276, 2001
4Q13
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Apo Estrogen Receptor Alpha Ligand Binding Domain D538G Mutant with a glucocorticoid receptor-interacting protein 1 NR box II peptide
分子名称: Estrogen receptor, Glucocorticoid receptor-interacting protein 1 NR box II peptide
著者Fanning, S.W, Panchamukhi, S, Greene, G.L.
登録日2014-04-02
公開日2015-04-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation.
Elife, 5, 2016
2AB6
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HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18) complexed with S-METHYLGLUTATHIONE
分子名称: Glutathione S-transferase Mu 2, L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE
著者Patskovsky, Y, Almo, S.C, Listowsky, I.
登録日2005-07-14
公開日2005-08-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Perturbations in the Active Site of Human Glutathione-S-Transferase M2-2 Upon Ligand Binding
To be Published
1PME
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BU of 1pme by Molmil
STRUCTURE OF PENTA MUTANT HUMAN ERK2 MAP KINASE COMPLEXED WITH A SPECIFIC INHIBITOR OF HUMAN P38 MAP KINASE
分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, ERK2, SULFATE ION
著者Xie, X.
登録日1998-06-08
公開日1999-06-08
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A single amino acid substitution makes ERK2 susceptible to pyridinyl imidazole inhibitors of p38 MAP kinase.
Protein Sci., 7, 1998
2GTU
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LIGAND-FREE HUMAN GLUTATHIONE S-TRANSFERASE M2-2 (E.C.2.5.1.18), MONOCLINIC CRYSTAL FORM
分子名称: GLUTATHIONE S-TRANSFERASE
著者Patskovska, L.N, Fedorov, A.A, Patskovsky, Y.V, Almo, S.C, Listowsky, I.
登録日1998-05-26
公開日1999-03-02
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The enhanced affinity for thiolate anion and activation of enzyme-bound glutathione is governed by an arginine residue of human Mu class glutathione S-transferases.
J.Biol.Chem., 275, 2000
4KS1
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BU of 4ks1 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS4
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4BMM
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BU of 4bmm by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-2',3, 5'-trifluoro-(1,1'-biphenyl)-4-carboxamide
分子名称: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE
著者Choi, J.Y, Calvet, C.M, Gunatilleke, S.S, Roush, W.R, McKerrow, J.H, Podust, L.M.
登録日2013-05-09
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
4C0C
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BU of 4c0c by Molmil
Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
分子名称: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M.
登録日2013-08-01
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency.
J.Med.Chem., 57, 2014
2G4B
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Structure of U2AF65 variant with polyuridine tract
分子名称: 1,4-DIETHYLENE DIOXIDE, 5'-R(P*UP*UP*UP*UP*UP*UP*U)-3', Splicing factor U2AF 65 kDa subunit
著者Sickmier, E.A, Kielkopf, C.L.
登録日2006-02-21
公開日2006-07-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of polypyrimidine tract recognition by the essential splicing factor U2AF65.
Mol.Cell, 23, 2006
2FSZ
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A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
分子名称: 4-HYDROXYTAMOXIFEN, Estrogen receptor beta
著者Wang, Y.
登録日2006-01-23
公開日2006-07-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Proc.Natl.Acad.Sci.Usa, 103, 2006
2PKC
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CRYSTAL STRUCTURE OF CALCIUM-FREE PROTEINASE K AT 1.5 ANGSTROMS RESOLUTION
分子名称: PROTEINASE K, SODIUM ION
著者Mueller, A, Hinrichs, W, Wolf, W.M, Saenger, W.
登録日1993-06-04
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of calcium-free proteinase K at 1.5-A resolution.
J.Biol.Chem., 269, 1994
4LRJ
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Bacterial Effector NleH1 Kinase Domain with AMPPNP and Mg2+
分子名称: Effector NleH1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-07-19
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
4LRK
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Bacterial Effector NleH2 Kinase Domain
分子名称: Effector NleH2
著者Cygler, M, Grishin, A.M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2013-07-19
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.274 Å)
主引用文献NleH defines a new family of bacterial effector kinases.
Structure, 22, 2014
4KS2
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.595 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
5QCS
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Crystal structure of BACE complex with BMC024
分子名称: (2R,4S)-N-BUTYL-4-HYDROXY-2-METHYL- 4-((E)-(4AS,12R,15S,17AS)-15-METHYL -14,17-DIOXO-2,3,4,4A,6,9,11,12,13, 14,15,16,17,17A-TETRADECAHYDRO-1H-5 ,10-DITHIA-1,13,16-TRIAZA-BENZOCYCL OPENTADECEN-12-YL)-BUTYRAMIDE, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
4KS3
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS5
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Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
分子名称: (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Kerry, P.S, Russell, R.J.M.
登録日2013-05-17
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.699 Å)
主引用文献Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
2H95
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Structure of the Amantadine-Blocked Influenza A M2 Proton Channel Trans-membrane Domain by Solid-state NMR spectroscopy
分子名称: Matrix protein 2
著者Hu, J, Asbury, T, Cross, T.A.
登録日2006-06-08
公開日2007-04-24
最終更新日2024-05-29
実験手法SOLID-STATE NMR
主引用文献Backbone structure of the amantadine-blocked trans-membrane domain m2 proton channel from influenza a virus.
Biophys.J., 92, 2007
2H7Z
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Crystal structure of irditoxin
分子名称: Irditoxin subunit A, Irditoxin subunit B
著者Pawlak, J, Kini, R.M, Stura, E.A, Le Du, M.H.
登録日2006-06-06
公開日2006-08-29
最終更新日2011-10-05
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Irditoxin, a novel covalently linked heterodimeric three-finger toxin with high taxon-specific neurotoxicity.
Faseb J., 23, 2009

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