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3OHS
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BU of 3ohs by Molmil
Crystal Structure of Mammalian Dimeric Dihydrodiol Dehydrogenase in complex with Dihydroxyacetone
分子名称: BETA-MERCAPTOETHANOL, Dihydroxyacetone, SULFATE ION, ...
著者Zhao, H.-T, El-Kabbani, O.
登録日2010-08-18
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of MDD in complex with Dihydroxyacetone
To be Published
2O4U
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BU of 2o4u by Molmil
Crystal structure of Mammalian Dimeric Dihydrodiol Dehydrogenase
分子名称: BETA-MERCAPTOETHANOL, Dimeric dihydrodiol dehydrogenase, GLYCEROL, ...
著者Carbone, V, El-Kabbani, O.
登録日2006-12-04
公開日2007-07-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of dimeric dihydrodiol dehydrogenase apoenzyme and inhibitor complex: probing the subunit interface with site-directed mutagenesis.
Proteins, 70, 2008
3C3U
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BU of 3c3u by Molmil
Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2008-01-28
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid
J.Med.Chem., 51, 2008
3CV6
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BU of 3cv6 by Molmil
The crystal structure of mouse 17-alpha hydroxysteroid dehydrogenase GG225.226PP mutant in complex with inhibitor and cofactor NADP+.
分子名称: 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol, Aldo-keto reductase family 1 member C21, BETA-MERCAPTOETHANOL, ...
著者Dhagat, U, El-Kabbani, O.
登録日2008-04-17
公開日2009-03-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the G225P/G226P mutant of mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21) ternary complex: implications for the binding of inhibitor and substrate.
Acta Crystallogr.,Sect.D, 65, 2009
3D3W
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BU of 3d3w by Molmil
Structure of L-Xylulose Reductase with bound coenzyme, phosphate and hydroxide.
分子名称: L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
著者Zhao, H.-T, El-Kabbani, O.
登録日2008-05-12
公開日2009-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure/function analysis of a critical disulfide bond in the active site of L-xylulose reductase.
Cell.Mol.Life Sci., 66, 2009
3CV7
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BU of 3cv7 by Molmil
Crystal structure of porcine aldehyde reductase ternary complex
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Alcohol dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Carbone, V, El-Kabbani, O.
登録日2008-04-18
公開日2008-10-28
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.412 Å)
主引用文献Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: Implications for inhibitor binding and selectivity
Arch.Biochem.Biophys., 479, 2008
7NUG
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BU of 7nug by Molmil
Influenza A/California/07/2009(H1N1) endonuclease in complex with orientin
分子名称: 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
7NUH
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BU of 7nuh by Molmil
Influenza A/California/07/2009(H1N1) endonuclease with I38T mutation in complex with orientin
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Radilova, K, Brynda, J.
登録日2021-03-12
公開日2021-07-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Synthesis and In Vitro Evaluation of C-7 and C-8 Luteolin Derivatives as Influenza Endonuclease Inhibitors.
Int J Mol Sci, 22, 2021
2D1Y
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BU of 2d1y by Molmil
Crystal structure of TT0321 from Thermus thermophilus HB8
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, hypothetical protein TT0321
著者Asada, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-09-02
公開日2006-03-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Biochemical and structural characterization of a short-chain dehydrogenase/reductase of Thermus thermophilus HB8: a hyperthermostable aldose-1-dehydrogenase with broad substrate specificity.
Chem.Biol.Interact., 178, 2009
3FX4
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BU of 3fx4 by Molmil
Porcine aldehyde reductase in ternary complex with inhibitor
分子名称: Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Carbone, V, El-Kabbani, O.
登録日2009-01-20
公開日2009-12-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.
Eur.J.Med.Chem., 45, 2010
3FJN
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BU of 3fjn by Molmil
The crystal structure of 17-alpha hydroxysteroid dehydrogenase Y224D mutant.
分子名称: ACETATE ION, Aldo-keto reductase family 1 member C21
著者Dhagat, U, El-Kabbani, O.
登録日2008-12-14
公開日2009-11-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Studies on a Tyr residue critical for the binding of coenzyme and substrate in mouse 3(17)alpha-hydroxysteroid dehydrogenase (AKR1C21): structure of the Y224D mutant enzyme
Acta Crystallogr.,Sect.D, 66, 2010
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
分子名称: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Dhagat, U, El-Kabbani, O.
登録日2009-03-30
公開日2010-02-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
1JQN
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BU of 1jqn by Molmil
Crystal structure of E.coli phosphoenolpyruvate carboxylase in complex with Mn2+ and DCDP
分子名称: 3,3-DICHLORO-2-PHOSPHONOMETHYL-ACRYLIC ACID, ASPARTIC ACID, MANGANESE (II) ION, ...
著者Matsumura, H, Kai, Y.
登録日2001-08-07
公開日2003-01-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of C4 form maize and quaternary complex of E. coli phosphoenolpyruvate carboxylases.
Structure, 10, 2002
1JQO
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BU of 1jqo by Molmil
Crystal structure of C4-form phosphoenolpyruvate carboxylase from maize
分子名称: SULFATE ION, phosphoenolpyruvate carboxylase
著者Matsumura, H, Kai, Y.
登録日2001-08-07
公開日2003-01-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of C4 form maize and quaternary complex of E. coli phosphoenolpyruvate carboxylases.
Structure, 10, 2002
2IHY
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BU of 2ihy by Molmil
Structure of the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
分子名称: ABC transporter, ATP-binding protein, SULFATE ION
著者McGrath, T.E, Yu, C.S, Romanov, V, Lam, R, Dharamsi, A, Virag, C, Mansoury, K, Thambipillai, D, Richards, D, Guthrie, J, Edwards, A.M, Pai, E.F, Chirgadze, N.Y.
登録日2006-09-27
公開日2007-09-18
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 the Staphylococcus aureus putative ATPase subunit of an ATP-binding cassette (ABC) transporter
To be Published
4TNO
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BU of 4tno by Molmil
Hypothetical protein PF1117 from Pyrococcus Furiosus: Structure solved by sulfur-SAD using Swiss Light Source Data
分子名称: CHLORIDE ION, CRISPR-associated endoribonuclease Cas2
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-06-04
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
5X7X
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BU of 5x7x by Molmil
The crystal structure of the nucleosome containing H3.3 at 2.18 angstrom resolution
分子名称: CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ...
著者Arimura, Y, Taguchi, H, Kurumizaka, H.
登録日2017-02-27
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.184 Å)
主引用文献Crystal Structure and Characterization of Novel Human Histone H3 Variants, H3.6, H3.7, and H3.8
Biochemistry, 56, 2017
6OU3
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BU of 6ou3 by Molmil
Crystal Structure of the D478S Variant of the Myocilin Olfactomedin Domain
分子名称: GLYCEROL, Myocilin, SODIUM ION
著者Hill, S.E, Kwon, M.S, Lieberman, R.L.
登録日2019-05-03
公開日2019-07-03
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU2
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BU of 6ou2 by Molmil
Crystal Structure of the D478N Variant of the Myocilin Olfactomedin Domain
分子名称: GLYCEROL, Myocilin, SODIUM ION
著者Hill, S.E, Kwon, M.S, Lieberman, R.L.
登録日2019-05-03
公開日2019-07-03
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.963 Å)
主引用文献Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU1
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BU of 6ou1 by Molmil
Crystal Structure of the Computationally-derived 21-Variant of the Myocilin Olfactomedin Domain
分子名称: CALCIUM ION, GLYCEROL, Myocilin, ...
著者Hill, S.E, Kwon, M.S, Lieberman, R.L.
登録日2019-05-03
公開日2019-07-03
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.878 Å)
主引用文献Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
6OU0
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BU of 6ou0 by Molmil
Crystal Structure of the D380A/D478S Variant of the Myocilin Olfactomedin Domain
分子名称: GLYCEROL, Myocilin
著者Hill, S.E, Kwon, M.S, Lieberman, R.L.
登録日2019-05-03
公開日2019-07-03
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations.
J.Biol.Chem., 294, 2019
7AOT
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BU of 7aot by Molmil
The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone
分子名称: (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F.
登録日2020-10-15
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity.
Angew.Chem.Int.Ed.Engl., 60, 2021
7WVL
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BU of 7wvl by Molmil
Structure of P4A2 Fab in complex with Spike-RBD from SARS-CoV-2
分子名称: P4A2 Fab Light Chain, P4A2 Fab heavy chain, Spike protein S1
著者Narayanan, N, Nair, D.T.
登録日2022-02-10
公開日2022-12-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A broadly neutralizing monoclonal antibody overcomes the mutational landscape of emerging SARS-CoV-2 variants of concern.
Plos Pathog., 18, 2022
4WAU
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BU of 4wau by Molmil
Crystal structure of CENP-M solved by native-SAD phasing
分子名称: Centromere protein M
著者Weinert, T, Basilico, F, Cecatiello, V, Pasqualato, S, Wang, M.
登録日2014-09-01
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4WAB
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BU of 4wab by Molmil
Crystal structure of mPGES1 solved by native-SAD phasing
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, Prostaglandin E synthase,Leukotriene C4 synthase
著者Weinert, T, Li, D, Howe, N, Caffrey, M, Wang, M.
登録日2014-08-29
公開日2014-12-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.704 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015

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