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3HC5
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BU of 3hc5 by Molmil
FXR with SRC1 and GSK826
分子名称: 3-(6-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1-benzothiophen-2-yl)benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3DD1
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BU of 3dd1 by Molmil
Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ...
著者Nolte, R.T.
登録日2008-06-04
公開日2009-04-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
3DCU
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BU of 3dcu by Molmil
FXR with SRC1 and GSK8062
分子名称: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)naphthalene-1-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1
著者Williams, S.P, Madauss, K.P.
登録日2008-06-04
公開日2008-08-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
著者Nolte, R.T.
登録日2008-06-06
公開日2009-01-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
3GN1
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BU of 3gn1 by Molmil
Structure of Pteridine Reductase 1 (PTR1) from TRYPANOSOMA BRUCEI in ternary complex with cofactor (NADP+) and inhibitor (DDD00067116)
分子名称: 1H-benzimidazol-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Tulloch, L.B, Brenk, R, Hunter, W.N.
登録日2009-03-16
公開日2009-12-29
最終更新日2011-09-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.
J.Med.Chem., 52, 2009
3GP3
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BU of 3gp3 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 2-phosphoserine
分子名称: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, PHOSPHITE ION, PHOSPHOSERINE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-20
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3GXM
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BU of 3gxm by Molmil
Crystal structure of acid-beta-glucosidase at pH 4.5, phosphate crystallization condition
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, SULFATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3GXD
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BU of 3gxd by Molmil
Crystal structure of Apo acid-beta-glucosidase pH 4.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3H7O
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BU of 3h7o by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-I1 (SMIPP-S-I1)
分子名称: GLYCEROL, Group 3 allergen SMIPP-S Yv6023A04, SULFATE ION
著者Buckle, A.M.
登録日2009-04-28
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3H7T
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BU of 3h7t by Molmil
Crystal structure of scabies mite inactivated protease paralogue S-D1 (SMIPP-S-D1)
分子名称: Group 3 allergen SMIPP-S YvT004A06, ZINC ION
著者Buckle, A.M.
登録日2009-04-28
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural mechanisms of inactivation in scabies mite serine protease paralogues.
J.Mol.Biol., 390, 2009
3ETB
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BU of 3etb by Molmil
Crystal structure of the engineered neutralizing antibody M18 complexed with anthrax protective antigen domain 4
分子名称: Anthrax Protective Antigen, Antibody M18 light chain and antibody M18 heavy chain linked with a synthetic (GGGGS)4 linker
著者Monzingo, A.F, Leysath, C.E, Barnett, J, Iverson, B.L, Georgiou, G, Robertus, J.D.
登録日2008-10-07
公開日2009-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Crystal structure of the engineered neutralizing antibody M18 complexed to domain 4 of the anthrax protective antigen.
J.Mol.Biol., 387, 2009
3H8N
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BU of 3h8n by Molmil
Crystal Structure Analysis of KIR2DS4
分子名称: Killer cell immunoglobulin-like receptor 2DS4
著者Graef, T, Bushnell, D.A, Parham, P.
登録日2009-04-29
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献KIR2DS4 is a product of gene conversion with KIR3DL2 that introduced specificity for HLA-A*11 while diminishing avidity for HLA-C.
J.Exp.Med., 206, 2009
3HA8
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BU of 3ha8 by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b
分子名称: Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide
著者Zhao, B, Clark, M.A.
登録日2009-05-01
公開日2009-08-04
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Design, synthesis and selection of DNA-encoded small-molecule libraries.
Nat.Chem.Biol., 5, 2009
3HC6
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BU of 3hc6 by Molmil
FXR with SRC1 and GSK088
分子名称: 3-[(5-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}-1H-indol-1-yl)methyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1, ...
著者Williams, S.P, Madauss, K.P.
登録日2009-05-05
公開日2009-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献FXR agonist activity of conformationally constrained analogs of GW 4064.
Bioorg.Med.Chem.Lett., 19, 2009
3HDI
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BU of 3hdi by Molmil
Crystal structure of Bacillus halodurans metallo peptidase
分子名称: COBALT (II) ION, Processing protease, SULFATE ION, ...
著者Aleshin, A, Gramatikova, S, Strongin, A.Y, Stec, B, Liddington, R.C, Smith, J.W.
登録日2009-05-07
公開日2009-12-08
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal and solution structures of a prokaryotic M16B peptidase: an open and shut case.
Structure, 17, 2009
3HF2
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BU of 3hf2 by Molmil
Crystal structure of the I401P mutant of cytochrome P450 BM3
分子名称: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
著者Yang, W, Whitehouse, C.J.C, Bell, S.G, Bartlam, M, Wong, L.L, Rao, Z.
登録日2009-05-10
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Highly Active Single-Mutation Variant of P450(BM3) (CYP102A1)
Chembiochem, 10, 2009
3HD8
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BU of 3hd8 by Molmil
Crystal structure of the Triticum aestivum xylanase inhibitor-IIA in complex with bacillus subtilis xylanase
分子名称: Endo-1,4-beta-xylanase A, Xylanase inhibitor
著者Sansen, S, Pollet, A, Raedschelders, G, Gebruers, K, Rabijns, A, Courtin, C.M.
登録日2009-05-07
公開日2009-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Identification of structural determinants for inhibition strength and specificity of wheat xylanase inhibitors TAXI-IA and TAXI-IIA
Febs J., 276, 2009
3HHE
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BU of 3hhe by Molmil
Crystal structure of ribose-5-phosphate isomerase A from Bartonella henselae
分子名称: CHLORIDE ION, POTASSIUM ION, RIBULOSE-5-PHOSPHATE, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-05-15
公開日2009-05-26
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of ribose-5-phosphate isomerase A from Bartonella henselae
To be Published
3HHN
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BU of 3hhn by Molmil
Crystal structure of class I ligase ribozyme self-ligation product, in complex with U1A RBD
分子名称: Class I ligase ribozyme, self-ligation product, MAGNESIUM ION, ...
著者Shechner, D.M, Grant, R.A, Bagby, S.C, Bartel, D.P.
登録日2009-05-15
公開日2009-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.987 Å)
主引用文献Crystal structure of the catalytic core of an RNA-polymerase ribozyme.
Science, 326, 2009
3HIB
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BU of 3hib by Molmil
Crystal structure of the second Sec63 domain of yeast Brr2
分子名称: Pre-mRNA-splicing helicase BRR2
著者Zhang, L, Xu, T, Zhao, R.
登録日2009-05-19
公開日2009-06-16
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural evidence for consecutive Hel308-like modules in the spliceosomal ATPase Brr2.
Nat.Struct.Mol.Biol., 16, 2009
3HJA
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BU of 3hja by Molmil
Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Borrelia burgdorferi
分子名称: Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-05-21
公開日2009-06-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of glyceraldehyde-3-phosphate dehydrogenase from Borrelia burgdorferi
To be Published
3MFW
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BU of 3mfw by Molmil
Crystal structure of human arginase I in complex with L-2-aminohistidine and sulphate
分子名称: 2-amino-L-histidine, Arginase-1, MANGANESE (II) ION, ...
著者Di Costanzo, L, Christianson, D.W.
登録日2010-04-04
公開日2010-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I.
J.Med.Chem., 53, 2010
3M5B
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BU of 3m5b by Molmil
Crystal structure of the BTB domain from FAZF/ZBTB32
分子名称: Zinc finger and BTB domain-containing protein 32
著者Stogios, P.J, Pomroy, N.C, Prive, G.G.
登録日2010-03-12
公開日2010-06-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into Strand Exchange in BTB Domain Dimers from the Crystal Structures of FAZF and Miz1.
J.Mol.Biol., 400, 2010
3MY1
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BU of 3my1 by Molmil
Structure of CDK9/cyclinT1 in complex with DRB
分子名称: 5,6-dichloro-1-beta-D-ribofuranosyl-1H-benzimidazole, Cell division protein kinase 9, Cyclin-T1, ...
著者Baumli, S, Johnson, L.N.
登録日2010-05-09
公開日2010-09-29
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Halogen bonds form the basis for selective P-TEFb inhibition by DRB
Chem.Biol., 17, 2010
3N7S
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Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
分子名称: Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine, ...
著者Ter Haar, E.
登録日2010-05-27
公開日2010-09-15
最終更新日2022-10-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010

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