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1K76
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Solution Structure of the C-terminal Sem-5 SH3 Domain (Minimized Average Structure)
分子名称: SEX MUSCLE ABNORMAL PROTEIN 5
著者Ferreon, J, Volk, D, Luxon, B, Gorenstein, D, Hilser, V.
登録日2001-10-18
公開日2003-05-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure, Dynamics and Thermodynamics of the Native State Ensemble of Sem-5 C-Terminal SH3 Domain
Biochemistry, 42, 2003
6TFJ
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BU of 6tfj by Molmil
Vip3Aa protoxin structure
分子名称: Vegetative insecticidal protein
著者Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E.
登録日2019-11-14
公開日2020-08-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis.
Nat Commun, 11, 2020
6TFK
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Vip3Aa toxin structure
分子名称: MAGNESIUM ION, Vegetative insecticidal protein
著者Nunez-Ramirez, R, Huesa, J, Bel, Y, Ferre, J, Casino, P, Arias-Palomo, E.
登録日2019-11-14
公開日2020-08-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular architecture and activation of the insecticidal protein Vip3Aa from Bacillus thuringiensis.
Nat Commun, 11, 2020
8QTY
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LytR LCP domain from Streptococcus dysgalactiae subs. dysgalactiae
分子名称: Biofilm regulatory protein, SULFATE ION
著者Paquete-Ferreira, J, Romao, M.J, Santos-Silva, T.
登録日2023-10-13
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights of an LCP protein-LytR-from Streptococcus dysgalactiae subs. dysgalactiae through biophysical and in silico methods.
Front Chem, 12, 2024
5MH6
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BU of 5mh6 by Molmil
D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-ketohexanoic acid and NAD+ (1.35 A resolution)
分子名称: 1,2-ETHANEDIOL, 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-06-06
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
5MHA
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D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 A resolution)
分子名称: (2R)-2-hydroxyhexanoic acid, 1,2-ETHANEDIOL, 2-Ketohexanoic acid, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-05-09
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
5MH5
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D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with 2-keto-hexanoic acid and NADP+ (1.4 A resolution)
分子名称: 2-Ketohexanoic acid, D-2-hydroxyacid dehydrogenase, MAGNESIUM ION, ...
著者Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J.
登録日2016-11-23
公開日2018-05-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism
To Be Published
2B5W
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Crystal structure of D38C glucose dehydrogenase mutant from Haloferax mediterranei
分子名称: CITRATE ANION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ...
著者Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W.
登録日2005-09-29
公開日2006-04-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2B5V
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Crystal structure of glucose dehydrogenase from Haloferax mediterranei
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, glucose dehydrogenase
著者Britton, K.L, Baker, P.J, Fisher, M, Ruzheinikov, S, Gilmour, D.J, Bonete, M.-J, Ferrer, J, Pire, C, Esclapez, J, Rice, D.W.
登録日2005-09-29
公開日2006-04-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2VWP
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Haloferax mediterranei glucose dehydrogenase in complex with NADPH and Zn.
分子名称: GLUCOSE DEHYDROGENASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-26
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2VWH
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Haloferax mediterranei glucose dehydrogenase in complex with NADP, Zn and glucose.
分子名称: GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, ...
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-24
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2VWG
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Haloferax mediterranei glucose dehydrogenase in complex with NADP, Zn and gluconolactone.
分子名称: D-glucono-1,5-lactone, GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-24
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
2VWQ
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Haloferax mediterranei glucose dehydrogenase in complex with NADP and Zn.
分子名称: GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W.
登録日2008-06-26
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
1EE0
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BU of 1ee0 by Molmil
2-PYRONE SYNTHASE COMPLEXED WITH ACETOACETYL-COA
分子名称: 2-PYRONE SYNTHASE, ACETOACETYL-COENZYME A
著者Jez, J.M, Austin, M.B, Ferrer, J, Bowmann, M.E, Schroeder, J, Noel, J.P.
登録日2000-01-28
公開日2001-01-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural control of polyketide formation in plant-specific polyketide synthases.
Chem.Biol., 7, 2000
7OVD
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Human soluble adenylyl cyclase in complex with the inhibitor TDI10229
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[1,5-dimethyl-4-(phenylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Quast, J.
登録日2021-06-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of TDI-10229: A Potent and Orally Bioavailable Inhibitor of Soluble Adenylyl Cyclase (sAC, ADCY10).
Acs Med.Chem.Lett., 12, 2021
8COT
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Complex of human soluble adenylyl cyclase 10 catalytic core with inhibitor TDI-10962
分子名称: 1,2-ETHANEDIOL, 2-(dimethylamino)ethyl 5-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-2-methyl-4-(phenylmethyl)pyrazole-3-carboxylate, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8CO7
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Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-09066
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[1-methyl-4-(thiophen-2-ylmethyl)pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C.
登録日2023-02-27
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8CNH
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Crystal structure of human soluble adenylyl cyclase (sAC) in complex with inhibitor TDI-10512
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Adenylate cyclase type 10, ...
著者Steegborn, C.
登録日2023-02-23
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8COJ
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Crystal structure of human soluble adenylyl cyclase catalytic domain in complex with the inhibitor TDI-10228
分子名称: 1,2-ETHANEDIOL, 4-chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine, ACETATE ION, ...
著者Steegborn, C, Fushimi, M.
登録日2023-02-28
公開日2023-04-26
最終更新日2023-05-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Scaffold Hopping and Optimization of Small Molecule Soluble Adenyl Cyclase Inhibitors Led by Free Energy Perturbation.
J.Chem.Inf.Model., 63, 2023
8B75
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CRYSTAL STRUCTURE OF HUMAN SOLUBLE ADENYLYL CYCLASE IN COMPLEX WITH THE INHIBITOR TDI-011861
分子名称: Adenylate cyclase type 10, [(3~{R})-4-[2-[2-[[3-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-1-[bis(fluoranyl)methyl]pyrazol-4-yl]methyl]phenoxy]ethyl]morpholin-3-yl]methanol
著者Steegborn, C, Kehr, M.
登録日2022-09-28
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Design, Synthesis, and Pharmacological Evaluation of Second-Generation Soluble Adenylyl Cyclase (sAC, ADCY10) Inhibitors with Slow Dissociation Rates.
J.Med.Chem., 65, 2022
5JG0
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Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191
分子名称: 4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}benzoic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Anderson, A.C, Reeve, S.M.
登録日2016-04-19
公開日2017-04-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.879 Å)
主引用文献MRSA Isolates from United States Hospitals Carry dfrG and dfrK Resistance Genes and Succumb to Propargyl-Linked Antifolates.
Cell Chem Biol, 23, 2016
3ZEJ
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Thaumatin structure determined at room temperature by in-situ diffraction in ChipX
分子名称: L(+)-TARTARIC ACID, THAUMATIN-1
著者Pinker, F, Lorber, B, Sauter, C.
登録日2012-12-05
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Chipx: A Novel Microfluidic Chip for Counter- Diffusion Crystallization of Biomolecules and in Situ Crystal Analysis at Room Temperature
To be Published
3ZEK
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Hen egg-white lysozyme structure determined at room temperature by in- situ diffraction in ChipX
分子名称: CHLORIDE ION, LYSOZYME C
著者Pinker, F, Lorber, B, Sauter, C.
登録日2012-12-05
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chipx: A Novel Microfluidic Chip for Counter- Diffusion Crystallization of Biomolecules and in Situ Crystal Analysis at Room Temperature
To be Published
1N4C
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BU of 1n4c by Molmil
NMR Structure of the J-Domain and Clathrin Substrate Binding Domain of Bovine Auxilin
分子名称: Auxilin
著者Gruschus, J.M, Han, C.J, Greener, T, Greene, L.E, Ferretti, J.A, Eisenberg, E.
登録日2002-10-30
公開日2003-11-11
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the functional fragment of auxilin required for catalytic uncoating of clathrin-coated vesicles.
Biochemistry, 43, 2004
5OQA
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XFEL structure of the off state of a reversibly photoswitching fluorescent protein determined using the GDVN injection method
分子名称: Green to red photoconvertible GFP-like protein EosFP
著者Hutchison, C.D.M, Cordon-Preciado, V, Morgan, R.M.L, van Thor, J.J.
登録日2017-08-11
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献X-ray Free Electron Laser Determination of Crystal Structures of Dark and Light States of a Reversibly Photoswitching Fluorescent Protein at Room Temperature.
Int J Mol Sci, 18, 2017

 

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