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1SMM
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BU of 1smm by Molmil
Crystal Structure of Cp Rd L41A mutant in oxidized state
分子名称: FE (III) ION, Rubredoxin, SULFATE ION
著者Park, I.Y, Youn, B, Harley, J.L, Eidsness, M.K, Smith, E, Ichiye, T, Kang, C.
登録日2004-03-09
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer
J.BIOL.INORG.CHEM., 9, 2004
1SMU
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BU of 1smu by Molmil
Crystal Structure of Cp Rd L41A mutant in reduced state 1 (drop-reduced)
分子名称: FE (II) ION, Rubredoxin
著者Park, I.Y, Youn, B, Harley, J.L, Eidsness, M.K, Smith, E, Ichiye, T, Kang, C.
登録日2004-03-09
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer
J.BIOL.INORG.CHEM., 9, 2004
1SMW
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BU of 1smw by Molmil
Crystal Structure of Cp Rd L41A mutant in reduced state 2 (soaked)
分子名称: FE (II) ION, Rubredoxin
著者Park, I.Y, Youn, B, Harley, J.L, Eidsness, M.K, Smith, E, Ichiye, T, Kang, C.
登録日2004-03-09
公開日2004-03-16
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献The unique hydrogen bonded water in the reduced form of Clostridium pasteurianum rubredoxin and its possible role in electron transfer
J.BIOL.INORG.CHEM., 9, 2004
4DE0
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BU of 4de0 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 16
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazole-7-carboxamide
著者Nichols, D.N, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE2
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BU of 4de2 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 12
分子名称: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DE1
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BU of 4de1 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 18
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
8EU5
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BU of 8eu5 by Molmil
Acheta domesticus segmented densovirus high buoyancy fraction 2 empty capsid structure
分子名称: Capsid protein
著者Penzes, J.J, McKenna, R, Tijssen, P.
登録日2022-10-18
公開日2022-11-09
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and molecular biology of Acheta domesticus segmented densovirus, the first parvovirus to harbor a bipartite genome
To Be Published
8U7E
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BU of 8u7e by Molmil
Structure of Sts-1 HP domain with rebamipide derivative
分子名称: N-(4-ethylbenzoyl)-3-(2-oxo-1,2-dihydroquinolin-4-yl)-L-alanine, Ubiquitin-associated and SH3 domain-containing protein B
著者Aziz, F, Dey, R, French, J.B.
登録日2023-09-15
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
8U5M
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BU of 8u5m by Molmil
Structure of Sts-1 HP domain with rebamipide
分子名称: Rebamipide, Ubiquitin-associated and SH3 domain-containing protein B
著者Azia, F, Dey, R, French, J.B.
登録日2023-09-12
公開日2024-02-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Rebamipide and Derivatives are Potent, Selective Inhibitors of Histidine Phosphatase Activity of the Suppressor of T Cell Receptor Signaling Proteins.
J.Med.Chem., 67, 2024
4DE3
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BU of 4de3 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4
分子名称: 3-bromo-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
4DDY
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BU of 4ddy by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 10
分子名称: Beta-lactamase, DIMETHYL SULFOXIDE, N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
2HQ6
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BU of 2hq6 by Molmil
Structure of the Cyclophilin_CeCYP16-Like Domain of the Serologically Defined Colon Cancer Antigen 10 from Homo Sapiens
分子名称: GLYCEROL, IODIDE ION, Serologically defined colon cancer antigen 10
著者Walker, J.R, Davis, T, Paramanathan, R, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-07-18
公開日2006-08-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
5I2X
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BU of 5i2x by Molmil
Crystal Structure of TPP1 K170del
分子名称: Adrenocortical dysplasia protein homolog
著者Nandakumar, J, Smith, E.
登録日2016-02-09
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and functional consequences of a disease mutation in the telomere protein TPP1.
Proc.Natl.Acad.Sci.USA, 113, 2016
3R4N
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BU of 3r4n by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4O
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BU of 3r4o by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4P
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BU of 3r4p by Molmil
Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide, Heat shock protein HSP 90-alpha, PHOSPHATE ION
著者Gajiwala, K.S.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3R4M
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BU of 3r4m by Molmil
Optimization of Potent, Selective, and Orally Bioavailable Pyrrolodinopyrimidine-containing Inhibitors of Heat Shock Protein 90. Identification of Development Candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
分子名称: 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, Heat shock protein HSP 90-alpha
著者Almassy, R.J.
登録日2011-03-17
公開日2011-04-27
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide.
J.Med.Chem., 54, 2011
3KC6
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BU of 3kc6 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: 1,2-ETHANEDIOL, Polymerase PB2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-20
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3KHW
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BU of 3khw by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/mexico/indre4487/2009(h1n1)
分子名称: GLYCEROL, Polymerase PB2
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-10-31
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
3L56
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BU of 3l56 by Molmil
Crystal structure of the large c-terminal domain of polymerase basic protein 2 from influenza virus a/viet nam/1203/2004 (h5n1)
分子名称: Polymerase PB2
著者Staker, B.L, Edwards, T, Eric, S, Raymond, A, Stewart, L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-12-21
公開日2010-03-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Biological and structural characterization of a host-adapting amino acid in influenza virus.
Plos Pathog., 6, 2010
4DDS
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BU of 4dds by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11
分子名称: 3-(pyrimidin-2-yl)-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE
著者Nichols, D.A, Chen, Y.
登録日2012-01-19
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase
J.Med.Chem., 55, 2012
1PYG
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BU of 1pyg by Molmil
STRUCTURAL BASIS FOR THE ACTIVATION OF GLYCOGEN PHOSPHORYLASE B BY ADENOSINE MONOPHOSPHATE
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE B, PYRIDOXAL-5'-DIPHOSPHATE
著者Sprang, S.
登録日1992-07-07
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structural basis for the activation of glycogen phosphorylase b by adenosine monophosphate.
Science, 254, 1991
8SBM
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BU of 8sbm by Molmil
Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS
分子名称: 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ...
著者Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A.
登録日2023-04-03
公開日2023-11-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid.
Biochemistry, 62, 2023
4PWN
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BU of 4pwn by Molmil
Crystal structure of Active WNK1 kinase
分子名称: PHOSPHATE ION, Serine/threonine-protein kinase WNK1
著者Piala, A, Moon, T, Akella, T, He, H, Cobbm, M.H, Goldsmith, E.
登録日2014-03-20
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Chloride Sensing by WNK1 Involves Inhibition of Autophosphorylation.
Sci.Signal., 7, 2014
4Q2A
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BU of 4q2a by Molmil
WNK1: A chloride sensor via autophosphorylation
分子名称: BROMIDE ION, Serine/threonine-protein kinase WNK1
著者Piala, A, Moon, T, Akella, R, He, H, Cobb, M.H, Goldsmith, E.
登録日2014-04-07
公開日2014-05-28
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Chloride Sensing by WNK1 Involves Inhibition of Autophosphorylation.
Sci.Signal., 7, 2014

 

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