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4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-20
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
1XMB
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BU of 1xmb by Molmil
X-ray structure of IAA-aminoacid hydrolase from Arabidopsis thaliana gene AT5G56660
分子名称: IAA-amino acid hydrolase homolog 2
著者Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-10-01
公開日2004-10-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of ILL2, an auxin-conjugate amidohydrolase from Arabidopsis thaliana.
Proteins, 74, 2009
3OT9
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BU of 3ot9 by Molmil
Phosphopentomutase from Bacillus cereus bound to glucose-1,6-bisphosphate
分子名称: 1,6-di-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MANGANESE (II) ION, ...
著者Panosian, T.D, Nannemann, D.P, Watkins, G, Phalen, V, Wadzinski, B, Bachmann, B.O, Iverson, T.M.
登録日2010-09-10
公開日2010-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
4IDE
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BU of 4ide by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+ and EDHMF
分子名称: (2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
1XG7
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BU of 1xg7 by Molmil
Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus
分子名称: hypothetical protein
著者Chang, J, Zhao, M, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Chen, L, Zhou, W, Habel, J, Tempel, W, Lee, D, Lin, D, Chang, S.-H, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Chen, C.-Y, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-16
公開日2004-11-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Conserved hypothetical protein Pfu-877259-001 from Pyrococcus furiosus
To be published
3OWU
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BU of 3owu by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida with Bound Equilenin
分子名称: EQUILENIN, Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-20
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
1XPM
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BU of 1xpm by Molmil
Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine
分子名称: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, 3-hydroxy-3-methylglutaryl CoA synthase, ACETOACETYL-COENZYME A, ...
著者Theisen, M.J, Misra, I, Saadat, D, Campobasso, N, Miziorko, H.M, Harrison, D.H.T.
登録日2004-10-08
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献3-hydroxy-3-methylglutaryl-CoA synthase intermediate complex observed in "real-time"
Proc.Natl.Acad.Sci.USA, 47, 2004
3OWQ
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BU of 3owq by Molmil
X-Ray Structure of Lin1025 protein from Listeria innocua, Northeast Structural Genomics Consortium Target LkR164
分子名称: DI(HYDROXYETHYL)ETHER, Lin1025 protein
著者Kuzin, A, Su, M, Lew, S, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2010-09-20
公開日2010-10-20
最終更新日2012-02-22
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Northeast Structural Genomics Consortium Target LkR164
To be published
3OX9
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BU of 3ox9 by Molmil
Crystal Structure of Ketosteroid Isomerase D40N/C69S/C81S/C97S/F86C-CN from P. putida
分子名称: Steroid Delta-isomerase
著者Sigala, P.A, Fenn, T.D, Herschlag, D.
登録日2010-09-21
公開日2011-09-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Quantitative, directional measurement of electric field heterogeneity in the active site of ketosteroid isomerase.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FMA
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BU of 4fma by Molmil
EspG structure
分子名称: ACETIC ACID, EspG protein, FORMIC ACID, ...
著者Shao, F, Zhu, Y, Hu, L.
登録日2012-06-16
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structurally Distinct Bacterial TBC-like GAPs Link Arf GTPase to Rab1 Inactivation to Counteract Host Defenses.
Cell(Cambridge,Mass.), 150, 2012
4FRJ
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BU of 4frj by Molmil
Crystal structure of BACE1 in complex with aminooxazoline xanthene 9l
分子名称: (4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Whittington, D.A, Long, A.M.
登録日2012-06-26
公開日2012-09-12
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012
4FOB
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BU of 4fob by Molmil
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 1
分子名称: ALK tyrosine kinase receptor, N-{1-[cis-4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl}-3-(prop-2-en-1-ylsulfamoyl)benzamide
著者Whittington, D.A, Epstein, L.F, Chen, H.
登録日2012-06-20
公開日2012-07-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Discovery and Optimization of a Novel Class of Potent, Selective, and Orally Bioavailable Anaplastic Lymphoma Kinase (ALK) Inhibitors with Potential Utility for the Treatment of Cancer.
J.Med.Chem., 55, 2012
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
著者Orth, P.
登録日2012-06-26
公開日2012-08-08
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
4FPX
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BU of 4fpx by Molmil
Crystal Structure of Shikimate Dehydrogenase (aroE) Q237N Mutant from Helicobacter pylori
分子名称: Shikimate dehydrogenase
著者Cheng, W.C, Chen, T.J, Wang, W.C.
登録日2012-06-23
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献

3P3T
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BU of 3p3t by Molmil
Human transthyretin (TTR) complexed with 4-(3-(2-flourophenoxy)propyl)-3,5-dimethyl-1H-pyrazole
分子名称: 4-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1H-pyrazole, Transthyretin
著者Connelly, S, Wilson, I.A.
登録日2010-10-05
公開日2011-08-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Potent kinetic stabilizers that prevent transthyretin-mediated cardiomyocyte proteotoxicity.
Sci Transl Med, 3, 2011
3P19
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BU of 3p19 by Molmil
Improved NADPH-dependent Blue Fluorescent Protein
分子名称: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative blue fluorescent protein
著者Kao, T.H, Chen, Y, Pai, C.H, Wang, A.H.J.
登録日2010-09-30
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of a NADPH-dependent blue fluorescent protein revealed the unique role of Gly176 on the fluorescence enhancement.
J.Struct.Biol., 174, 2011
4FI7
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BU of 4fi7 by Molmil
Kinetic Stabilization of transthyretin through covalent modification of K15 by 3-(5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)-benzenesulfonamide
分子名称: 3-[5-(3,5-dichloro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]benzenesulfonyl fluoride, Transthyretin
著者Connelly, S, Grimster, N, Wilson, I.A, Kelly, J.W.
登録日2012-06-08
公開日2013-02-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.402 Å)
主引用文献Aromatic Sulfonyl Fluorides Covalently Kinetically Stabilize Transthyretin to Prevent Amyloidogenesis while Affording a Fluorescent Conjugate.
J.Am.Chem.Soc., 135, 2013
1XED
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BU of 1xed by Molmil
Crystal Structure of a Ligand-Binding Domain of the Human Polymeric Ig Receptor, pIgR
分子名称: MAGNESIUM ION, Polymeric-immunoglobulin receptor
著者Hamburger, A.E, West Jr, A.P, Bjorkman, P.J.
登録日2004-09-10
公開日2004-11-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of a Polymeric Immunoglobulin Binding Fragment of the Human Polymeric Immunoglobulin Receptor
Structure, 12, 2004
1XI3
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BU of 1xi3 by Molmil
Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
分子名称: NICKEL (II) ION, SULFATE ION, Thiamine phosphate pyrophosphorylase, ...
著者Zhou, W, Chen, L, Tempel, W, Liu, Z.-J, Habel, J, Lee, D, Lin, D, Chang, S.-H, Dillard, B.D, Eneh, J.C, Hopkins, R.C, Jenney Jr, F.E, Kelley, L.-L.C, Lee, H.-S, Li, T, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-21
公開日2004-09-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
To be published
4FR7
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BU of 4fr7 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-31 in its reduced form at 1.61 A
分子名称: ACETATE ION, CHLORIDE ION, Metallo-beta-lactamase VIM-31, ...
著者Herzog, K, Hoffmann, K.M.
登録日2012-06-26
公開日2013-06-26
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献The three-dimensional structure of VIM-31 - a metallo-beta-lactamase from Enterobacter cloacae in its native and oxidized form.
Febs J., 282, 2015
1XY7
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BU of 1xy7 by Molmil
X-RAY STRUCTURE OF GENE PRODUCT FROM ARABIDOPSIS THALIANA AT5G48480
分子名称: unknown protein
著者Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG)
登録日2004-11-09
公開日2004-11-16
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-RAY STRUCTURE OF GENE PRODUCT FROM ARABIDOPSIS THALIANA AT5G48480
To be Published
4FM8
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BU of 4fm8 by Molmil
Crystal Structure of BACE with Compound 12a
分子名称: (5R,7S)-1-(3-fluorophenyl)-3,7-dimethyl-8-[3-(propan-2-yloxy)benzyl]-2-thia-1,3,8-triazaspiro[4.5]decane 2,2-dioxide, 1,2-ETHANEDIOL, Beta-secretase 1, ...
著者Vajdos, F.F, Varghese, A.H.
登録日2012-06-15
公開日2012-10-03
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Spirocyclic sulfamides as beta-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors.
J.Med.Chem., 55, 2012
4FLC
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BU of 4flc by Molmil
Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation
分子名称: Adenylosuccinate lyase
著者Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D.
登録日2012-06-14
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation.
Biochemistry, 51, 2012
1XI9
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Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
分子名称: PYRIDOXAL-5'-PHOSPHATE, putative transaminase
著者Zhou, W, Tempel, W, Shah, A, Chen, L, Liu, Z.-J, Lee, D, Lin, D, Chang, S.-H, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.-S, Poole II, F.L, Shah, C, Sugar, F.J, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Rose, J.P, Adams, M.W.W, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-09-21
公開日2004-11-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
To be published
4FRI
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BU of 4fri by Molmil
Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6
分子名称: (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
著者Whittington, D.A, Long, A.M.
登録日2012-06-26
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease.
J.Med.Chem., 55, 2012

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