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4BNT
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution
分子名称: 2-(trifluoromethyl)-1H-benzimidazole, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNY
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 4-(2-phenylthieno(3,2-d) pyrimidin-4-yl)morpholine at 1.8A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, 4-(2-phenylthieno[3,2-d]pyrimidin-4-yl)morpholine
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BNZ
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-methyl-N-phenylindole- 3-carboxamide at 2.5A resolution
分子名称: 1-methyl-N-phenyl-indole-3-carboxamide, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-17
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO2
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BU of 4bo2 by Molmil
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 1-(1-ethylbenzimidazol-2- yl)-3-(2-methoxyphenyl)urea at 1.9A resolution
分子名称: 1-(1-ethylbenzimidazol-2-yl)-3-(2-methoxyphenyl)urea, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
4BO5
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Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-chlorophenyl)-4- pyrrol-1-yl-1,3,5-triazin-2-amine at 2.6A resolution
分子名称: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG, N-(2-chlorophenyl)-4-pyrrol-1-yl-1,3,5-triazin-2-amine, NICKEL (II) ION
著者Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2013-05-18
公開日2013-09-18
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
3V7T
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BU of 3v7t by Molmil
Crystal Structure of Human Beta-Tryptase Complexed with a Synthetic Inhibitor with a Tropanylamide Scaffold
分子名称: CARBONATE ION, TPSB2 protein, {(3-exo)-3-[5-(aminomethyl)-2-fluorophenyl]-8-azabicyclo[3.2.1]oct-8-yl}(4-bromo-3-methyl-5-propoxythiophen-2-yl)methanone
著者Zhang, Y, Colonna, C, Michot, N.
登録日2011-12-22
公開日2012-03-14
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献A beta-tryptase inhibitor with a tropanylamide scaffold to improve in vitro stability and to lower hERG channel binding affinity
Bioorg.Med.Chem.Lett., 22, 2012
1S1F
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Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
分子名称: 4-PHENYL-1H-IMIDAZOLE, GLYCEROL, MALONIC ACID, ...
著者Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
登録日2004-01-06
公開日2005-01-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2
J.Biol.Chem., 280, 2005
3TZO
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The role of I87 of CYP158A2 in oxidative coupling reaction
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450, SPERMINE
著者Zhao, B, Waterman, M.R.
登録日2011-09-27
公開日2012-01-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献The role of Ile87 of CYP158A2 in oxidative coupling reaction.
Arch.Biochem.Biophys., 518, 2012
1SE6
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Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ...
著者Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R.
登録日2004-02-16
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1T93
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Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
分子名称: FLAVIOLIN, PROTOPORPHYRIN IX CONTAINING FE, putative cytochrome P450
著者Zhao, B, Sundaramoorthy, M, Waterman, M.R.
登録日2004-05-14
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2.
J.Biol.Chem., 280, 2005
1G5W
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BU of 1g5w by Molmil
SOLUTION STRUCTURE OF HUMAN HEART-TYPE FATTY ACID BINDING PROTEIN
分子名称: FATTY ACID-BINDING PROTEIN
著者Luecke, C, Rademacher, M, Zimmerman, A, van Moerkerk, H.T.B, Veerkamp, J.H, Rueterjans, H.
登録日2000-11-02
公開日2001-03-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Spin-system heterogeneities indicate a selected-fit mechanism in fatty acid binding to heart-type fatty acid-binding protein (H-FABP).
Biochem.J., 354, 2001
2D09
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BU of 2d09 by Molmil
A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2
分子名称: FLAVIOLIN, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Zhao, B, Waterman, M.R.
登録日2005-07-30
公開日2005-10-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Role of active site water molecules and substrate hydroxyl groups in oxygen activation by cytochrome P450 158A2: a new mechanism of proton transfer
J.Biol.Chem., 280, 2005
2E7Y
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High resolution structure of T. maritima tRNase Z
分子名称: S-1,2-PROPANEDIOL, SULFATE ION, ZINC ION, ...
著者Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-01-15
公開日2007-09-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献The structure of the flexible arm of Thermotoga maritima tRNase Z differs from those of homologous enzymes
Acta Crystallogr.,Sect.F, 63, 2007
2BAK
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BU of 2bak by Molmil
p38alpha MAP kinase bound to MPAQ
分子名称: Mitogen-activated protein kinase 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE
著者Gerhardt, S, Breed, J, Pauptit, R.A, Read, J, Norman, R.A, Ward, W.H.
登録日2005-10-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAL
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BU of 2bal by Molmil
p38alpha MAP kinase bound to pyrazoloamine
分子名称: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL][3-(PIPERIDIN-4-YLOXY)PHENYL]METHANONE
著者Gerhardt, S, Pauptit, R.A, Read, J, Tucker, J, Norman, R.A, Breed, J.
登録日2005-10-14
公開日2005-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
2BAJ
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p38alpha bound to pyrazolourea
分子名称: 1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2,3-dichlorophenyl)urea, Mitogen-activated protein kinase 14
著者Gerhardt, S, Pauptit, R.A, Read, J, Breed, J, Norman, R.A, Ward, W.H.
登録日2005-10-14
公開日2005-12-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase
Biochemistry, 44, 2005
2BAQ
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p38alpha bound to Ro3201195
分子名称: Mitogen-activated protein kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE
著者Gerhardt, S, Pauptit, R.A, Breed, J, Read, J, Tucker, J, Norman, R.A.
登録日2005-10-14
公開日2005-12-06
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Prevention of MKK6-Dependent Activation by Binding to p38alpha MAP Kinase.
Biochemistry, 44, 2005
4BND
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Structure of an atypical alpha-phosphoglucomutase similar to eukaryotic phosphomannomutases
分子名称: ALPHA-PHOSPHOGLUCOMUTASE, GLYCEROL, SULFATE ION
著者Nogly, P, Matias, P.M, De Rosa, M, Castro, R, Santos, H, Neves, A.R, Archer, M.
登録日2013-05-14
公開日2013-10-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-Resolution Structure of an Atypical [Alpha]-Phosphoglucomutase Related to Eukaryotic Phosphomannomutases
Acta Crystallogr.,Sect.D, 69, 2013
2BWC
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Structure of Endoglucanase 12A (Cel12A) from Rhodothermus marinus in complex with cellopentaose (5 minute soak)
分子名称: ENDOGLUCANASE, GLYCEROL, SULFATE ION, ...
著者Crennell, S.J, Nordberg-Karlsson, E.
登録日2005-07-13
公開日2005-12-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Dimerisation and an increase in active site aromatic groups as adaptations to high temperatures: X-ray solution scattering and substrate-bound crystal structures of Rhodothermus marinus endoglucanase Cel12A.
J. Mol. Biol., 356, 2006
2BWA
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Structure of Endoglucanase 12A (Cel12A) from Rhodothermus marinus in complex with cellopentaose, 20 minute soak.
分子名称: ENDOGLUCANASE, GLYCEROL, SULFATE ION, ...
著者Crennell, S.J, Nordberg-Karlsson, E.
登録日2005-07-13
公開日2005-12-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Dimerisation and an increase in active site aromatic groups as adaptations to high temperatures: X-ray solution scattering and substrate-bound crystal structures of Rhodothermus marinus endoglucanase Cel12A.
J. Mol. Biol., 356, 2006
2BW8
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Native structure of Endoglucanase 12A (Cel12A) from Rhodothermus marinus
分子名称: ENDOGLUCANASE, SULFATE ION
著者Crennell, S.J, Nordberg-Karlsson, E.
登録日2005-07-13
公開日2005-12-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Dimerisation and an increase in active site aromatic groups as adaptations to high temperatures: X-ray solution scattering and substrate-bound crystal structures of Rhodothermus marinus endoglucanase Cel12A.
J. Mol. Biol., 356, 2006
1I9I
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NATIVE CRYSTAL STRUCTURE OF THE RECOMBINANT MONOCLONAL WILD TYPE ANTI-TESTOSTERONE FAB FRAGMENT
分子名称: RECOMBINANT MONOCLONAL ANTI-TESTOSTERONE FAB FRAGMENT HEAVY CHAIN, RECOMBINANT MONOCLONAL ANTI-TESTOSTERONE FAB FRAGMENT LIGHT CHAIN
著者Valjakka, J, Takkinenz, K, Teerinen, T, Soderlund, H, Rouvinen, J.
登録日2001-03-20
公開日2002-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural insights into steroid hormone binding: the crystal structure of a recombinant anti-testosterone Fab fragment in free and testosterone-bound forms.
J.Biol.Chem., 277, 2002
1I9J
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TESTOSTERONE COMPLEX STRUCTURE OF THE RECOMBINANT MONOCLONAL WILD TYPE ANTI-TESTOSTERONE FAB FRAGMENT
分子名称: RECOMBINANT MONOCLONAL ANTI-TESTOSTERONE FAB FRAGMENT HEAVY CHAIN, RECOMBINANT MONOCLONAL ANTI-TESTOSTERONE FAB FRAGMENT LIGHT CHAIN, TESTOSTERONE
著者Valjakka, J, Takkinenz, K, Teerinen, T, Soderlund, H, Rouvinen, J.
登録日2001-03-20
公開日2002-03-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural insights into steroid hormone binding: the crystal structure of a recombinant anti-testosterone Fab fragment in free and testosterone-bound forms.
J.Biol.Chem., 277, 2002

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