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PDB: 303 件
1MUE
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Thrombin-Hirugen-L405,426
分子名称: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
著者Burgey, C.S, Robinson, K.A, Lyle, T.A, Nantermet, P.G, Selnick, H.G, Isaacs, R.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Stranieri, M.T, Cook, J.J, McMasters, D.R, Pellicore, J.M, Pal, S, Wallace, A.A, Clayton, F.C, Bohn, D, Welsh, D.C, Lynch, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.
登録日2002-09-23
公開日2004-04-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides.
Bioorg.Med.Chem.Lett., 13, 2003
3GA4
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Crystal structure of Ost6L (photoreduced form)
分子名称: 1,2-ETHANEDIOL, Dolichyl-diphosphooligosaccharide-protein glycosyltransferase subunit OST6, TETRAETHYLENE GLYCOL
著者Stirnimann, C.U, Grimshaw, J.P.A, Schulz, B.L, Brozzo, M.S, Fritsch, F, Glockshuber, R, Capitani, G, Gruetter, M.G, Aebi, M.
登録日2009-02-16
公開日2009-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Oxidoreductase activity of oligosaccharyltransferase subunits Ost3p and Ost6p defines site-specific glycosylation efficiency.
Proc.Natl.Acad.Sci.USA, 106, 2009
8GHT
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Cryo-electron microscopy structure of the zinc transporter from Bordetella bronchiseptica
分子名称: CADMIUM ION, PHOSPHATIDYLETHANOLAMINE, Putative membrane protein
著者Liu, Q, Chai, J, Pang, C.X, Shanklin, J.
登録日2023-03-12
公開日2023-06-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献Structural mechanism of intracellular autoregulation of zinc uptake in ZIP transporters.
Nat Commun, 14, 2023
1OIT
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Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
分子名称: 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2
著者Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
登録日2003-06-24
公開日2003-09-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
3G9B
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Crystal structure of reduced Ost6L
分子名称: Dolichyl-diphosphooligosaccharide-protein glycosyltransferase subunit OST6
著者Stirnimann, C.U, Grimshaw, J.P.A, Schulz, B.L, Brozzo, M.S, Fritsch, F, Glockshuber, R, Capitani, G, Gruetter, M.G, Aebi, M.
登録日2009-02-13
公開日2009-06-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Oxidoreductase activity of oligosaccharyltransferase subunits Ost3p and Ost6p defines site-specific glycosylation efficiency.
Proc.Natl.Acad.Sci.USA, 106, 2009
2BW3
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Three-dimensional structure of the Hermes DNA transposase
分子名称: TRANSPOSASE
著者Hickman, A.B, Perez, Z.N, Zhou, L, Musingarimi, P, Ghirlando, R, Hinshaw, J.E, Craig, N.L, Dyda, F.
登録日2005-07-11
公開日2005-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular Architecture of a Eukaryotic DNA Transposase
Nat.Struct.Mol.Biol., 12, 2005
1OIR
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Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
分子名称: 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2
著者Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
登録日2003-06-24
公開日2003-09-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
2XIR
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Crystal structure of the VEGFR2 kinase domain in complex with PF- 00337210 (N,2-dimethyl-6-(7-(2-morpholinoethoxy)quinolin-4-yloxy) benzofuran-3-carboxamide)
分子名称: N,2-DIMETHYL-6-{[7-(2-MORPHOLIN-4-YLETHOXY)QUINOLIN-4-YL]OXY}-1-BENZOFURAN-3-CARBOXAMIDE, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
著者McTigue, M, Wickersham, J, Pinko, C, Hong, Y, Marrone, T.
登録日2010-06-30
公開日2011-04-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of the Selective Vegfr Inhibitor Pf- 00337210
To be Published
3FW3
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Crystal Structure of soluble domain of CA4 in complex with Dorzolamide
分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 4, SULFATE ION, ...
著者Greasley, S.E, Ferre, R.A.A, Paz, R, Wickersham, J.
登録日2009-01-16
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.
Bioorg.Med.Chem., 18, 2010
1FG5
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CRYSTAL STRUCTURE OF BOVINE ALPHA-1,3-GALACTOSYLTRANSFERASE CATALYTIC DOMAIN.
分子名称: N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE
著者Gastinel, L.N, Bignon, C, Shaper, J.H, Joziasse, D.H.
登録日2000-07-28
公開日2001-07-28
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bovine alpha1,3-galactosyltransferase catalytic domain structure and its relationship with ABO histo-blood group and glycosphingolipid glycosyltransferases.
EMBO J., 20, 2001
1NJS
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human GAR Tfase in complex with hydrolyzed form of 10-trifluoroacetyl-5,10-dideaza-acyclic-5,6,7,8-tetrahydrofolic acid
分子名称: N-{4-[(1R)-4-[(2R,4R,5S)-2,4-DIAMINO-6-OXOHEXAHYDROPYRIMIDIN-5-YL]-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYL)BUTYL]BENZOYL}-D-GLUTAMIC ACID, PHOSPHATE ION, Phosphoribosylglycinamide formyltransferase
著者Zhang, Y, Desharnais, J, Marsilje, T.H, Li, C, Hedrick, M.P, Gooljarsingh, L.T, Tavassoli, A, Benkovic, S.J, Olson, A.J, Boger, D.L, Wilson, I.A.
登録日2003-01-02
公開日2003-06-10
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Rational Design, Synthesis, Evaluation, and Crystal Structure of a Potent Inhibitor of Human GAR Tfase: 10-(Trifluoroacetyl)-5,10-dideazaacyclic-5,6,7,8-tetrahydrofolic Acid
Biochemistry, 42, 2003
1G93
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CRYSTAL STRUCTURE OF THE BOVINE CATALYTIC DOMAIN OF ALPHA-1,3-GALACTOSYLTRANSFERASE IN THE PRESENCE OF UDP-GALACTOSE
分子名称: MANGANESE (II) ION, MERCURY (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, ...
著者Gastinel, L.N, Bignon, C, Misra, A.K, Hindsgaul, O, Shaper, J.H, Joziasse, D.H.
登録日2000-11-22
公開日2001-05-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bovine alpha1,3-galactosyltransferase catalytic domain structure and its relationship with ABO histo-blood group and glycosphingolipid glycosyltransferases.
EMBO J., 20, 2001
1UY0
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Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with glc-1,3-glc-1,4-glc-1,3-glc
分子名称: CALCIUM ION, CELLULASE B, CHLORIDE ION, ...
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
登録日2004-03-01
公開日2004-03-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
1UYX
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Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellobiose
分子名称: CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
登録日2004-03-03
公開日2004-03-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
1UYZ
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Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with xylotetraose
分子名称: CALCIUM ION, CELLULASE B, GLYCEROL, ...
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
登録日2004-03-03
公開日2004-03-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
1G8O
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CRYSTALLOGRAPHIC STRUCTURE OF THE NATIVE BOVINE ALPHA-1,3-GALACTOSYLTRANSFERASE CATALYTIC DOMAIN
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-MONOPHOSPHATE
著者Gastinel, L.N, Bigon, C, Misra, A.K, Hindsgaul, O, Shaper, J.H, Joziasse, D.H.
登録日2000-11-20
公開日2001-05-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Bovine alpha1,3-galactosyltransferase catalytic domain structure and its relationship with ABO histo-blood group and glycosphingolipid glycosyltransferases.
EMBO J., 20, 2001
1URW
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CDK2 IN COMPLEX WITH AN IMIDAZO[1,2-b]PYRIDAZINE
分子名称: 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]-, CELL DIVISION PROTEIN KINASE 2
著者Byth, K.F, Cooper, N, Culshaw, J.D, Heaton, D.W, Oakes, S.E, Minshull, C.A, Norman, R.A, Pauptit, R.A, Tucker, J.A, Breed, J, Pannifer, A, Rowsell, S, Stanway, J.J, Valentine, A.L, Thomas, A.P.
登録日2003-11-11
公開日2004-04-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Imidazo[1,2-B]Pyridazines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1ND1
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Amino acid sequence and crystal structure of BaP1, a metalloproteinase from Bothrops asper snake venom that exerts multiple tissue-damaging activities.
分子名称: BaP1, ZINC ION
著者Watanabe, L, Shannon, J.D, Valente, R.H, Rucavado, A, Alape-Giron, A, Kamiguti, A.S, Theakston, R.D, Fox, J.W, Gutierrez, J.M, Arni, R.K.
登録日2002-12-06
公開日2003-11-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Amino acid sequence and crystal structure of BaP1, a metalloproteinase from Bothrops asper snake venom that exerts multiple tissue-damaging activities
Protein Sci., 12, 2003
1UZ0
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Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with Glc-4Glc-3Glc-4Glc
分子名称: CALCIUM ION, CELLULASE B, CHLORIDE ION, ...
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
登録日2004-03-03
公開日2004-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
1N8C
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Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex
分子名称: (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*TP*CP*GP*TP*GP*AP*CP*CP*G)-3', 5'-D(*CP*GP*GP*TP*CP*AP*CP*GP*AP*GP*G)-3'
著者Volk, D.E, Thiviyanathan, V, Rice, J.S, Luxon, B.A, Shah, J.H, Yagi, H, Sayer, J.M, Yeh, H.J.C, Jerina, D.M, Gorenstein, D.G.
登録日2002-11-20
公開日2003-02-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of a Cis-Opened (10R)-N6-Deoxyadenosine Adduct of (9S,10R)-(9,10)-Epoxy-7,8,9,10-tetrahydrobenzo[a]pyrene in a DNA Duplex
Biochemistry, 42, 2003
1UXX
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CBM6ct from Clostridium thermocellum in complex with xylopentaose
分子名称: CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J.
登録日2004-03-01
公開日2004-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
1UYY
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Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellotriose
分子名称: CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ...
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
登録日2004-03-03
公開日2004-03-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
1OIQ
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Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation
分子名称: CELL DIVISION PROTEIN KINASE 2, N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
著者Beattie, J.F, Breault, G.A, Byth, K.F, Culshaw, J.D, Ellston, R.P.A, Green, S, Minshull, C.A, Norman, R.A, Pauptit, R.A, Thomas, A.P, Jewsbury, P.J.
登録日2003-06-24
公開日2003-09-04
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation
Bioorg.Med.Chem.Lett., 13, 2003
1UXZ
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Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A
分子名称: CELLULASE B
著者Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J.
登録日2004-03-01
公開日2004-03-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities
J.Biol.Chem., 279, 2004
3BH9
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Crystal Structure of RTY Phosphopeptide Bound to Human Class I MHC HLA-A2
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
著者Mohammed, F, Cobbold, M, Zarling, A.L, Salim, M, Barrett-Wilt, G.A, Shabanowitz, J, Hunt, D.F, Engelhard, V.H, Willcox, B.E.
登録日2007-11-28
公開日2008-10-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Phosphorylation-dependent interaction between antigenic peptides and MHC class I: a molecular basis for the presentation of transformed self
Nat.Immunol., 9, 2008

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