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8F1C
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BU of 8f1c by Molmil
Voltage-gated potassium channel Kv3.1 with novel positive modulator (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one (compound 4)
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, (9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one, POTASSIUM ION, ...
著者Chen, Y, Ishchenko, A.
登録日2022-11-04
公開日2023-10-25
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Proc.Natl.Acad.Sci.USA, 120, 2023
3KC2
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BU of 3kc2 by Molmil
Crystal structure of mitochondrial HAD-like phosphatase from Saccharomyces cerevisiae
分子名称: MAGNESIUM ION, PHOSPHATE ION, Uncharacterized protein YKR070W
著者Nocek, B, Evdokimova, E, Kuznetsova, K, Iakunine, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-10-20
公開日2009-11-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of mitochondrial HAD-like phosphatase from Saccharomyces cerevisiae
To be Published
6TMI
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BU of 6tmi by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, peripheral stalk model
分子名称: ATP synthase subunit alpha, ATPTG12, Oligomycin sensitivity conferring protein (OSCP), ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6TS8
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BU of 6ts8 by Molmil
Chaetomium thermophilum UDP-Glucose Glucosyl Transferase (UGGT) double cysteine mutant G177C/A786C.
分子名称: UDP-glucose-glycoprotein glucosyltransferase-like protein
著者Roversi, P, Zitzmann, N, Ibba, R, Hensen, M, Chandran, A.
登録日2019-12-20
公開日2020-10-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Clamping, bending, and twisting inter-domain motions in the misfold-recognizing portion of UDP-glucose: Glycoprotein glucosyltransferase.
Structure, 29, 2021
6TMG
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BU of 6tmg by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, membrane region model
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ATPTG1, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2021-01-20
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6YXB
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BU of 6yxb by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (space group P21)
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
6YX6
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BU of 6yx6 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant (no morpholine)
分子名称: FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, SULFATE ION
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
6TMJ
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BU of 6tmj by Molmil
Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, rotor-stator model
分子名称: ATP synthase subunit delta, ATP synthase subunit epsilon, ATP synthase subunit gamma, ...
著者Muhleip, A, Kock Flygaard, R, Amunts, A.
登録日2019-12-04
公開日2020-12-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
6YX4
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BU of 6yx4 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K variant with morpholine
分子名称: FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase, ...
著者Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I.
登録日2020-04-30
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献The molecular basis of spectral tuning in blue- and red-shifted flavin-binding fluorescent proteins.
J.Biol.Chem., 296, 2021
5IL7
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BU of 5il7 by Molmil
Leucine rich repeat domain of the Chlorobium tepidum Roco protein
分子名称: Rab family protein
著者Gotthardt, K, Wittinghofer, A.
登録日2016-03-04
公開日2016-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural model of the dimeric Parkinson's protein LRRK2 reveals a compact architecture involving distant interdomain contacts.
Proc.Natl.Acad.Sci.USA, 113, 2016
8FZ4
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BU of 8fz4 by Molmil
The von Willebrand factor A domain of Anthrax toxin receptor 2
分子名称: Anthrax toxin receptor 2, CHLORIDE ION, MAGNESIUM ION
著者Pedroza-Romo, M.J, Soleimani, S, Lewis, A, Smith, T, Brown, S, Doukov, T, Moody, J.D.
登録日2023-01-27
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
5LW1
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BU of 5lw1 by Molmil
Crystal structure of DARPin-DARPin rigid fusion, variant DD_232_11_D12 in complex JNK1a1 and JIP1 peptide
分子名称: ADENOSINE, C-Jun-amino-terminal kinase-interacting protein 1, DD_232_11_D12, ...
著者Wu, Y, Batyuk, A, Mittl, P.R, Honegger, A, Plueckthun, A.
登録日2016-09-15
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural Basis for the Selective Inhibition of c-Jun N-Terminal Kinase 1 Determined by Rigid DARPin-DARPin Fusions.
J.Mol.Biol., 430, 2018
6WPC
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BU of 6wpc by Molmil
Crystal structure of Bacillus thuringiensis Cry1A.2 tryptic core variant
分子名称: Cry1A.2
著者Rydel, T.J, Evdokimov, A.
登録日2020-04-27
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Bacillus thuringiensis chimeric proteins Cry1A.2 and Cry1B.2 to control soybean lepidopteran pests: New domain combinations enhance insecticidal spectrum of activity and novel receptor contributions.
Plos One, 16, 2021
6HC3
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BU of 6hc3 by Molmil
TFAM bound to Site-X
分子名称: DNA (5'-D(*TP*TP*TP*GP*GP*TP*GP*GP*AP*AP*AP*TP*TP*TP*TP*TP*TP*GP*TP*TP*AP*G)-3'), DNA/RNA (5'-D(*TP*AP*AP*CP*AP*AP*AP*AP*AP*AP*TP*TP*TP*CP*CP*AP*CP*CP*AP*AP*AP*C)-3'), L(+)-TARTARIC ACID, ...
著者Fernandez-Millan, P, Cuppari, A, Tarres-Sole, A, Rubio-Cosials, A, Lyonnais, S, Sola, M.
登録日2018-08-13
公開日2019-06-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献DNA specificities modulate the binding of human transcription factor A to mitochondrial DNA control region.
Nucleic Acids Res., 47, 2019
5MA8
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BU of 5ma8 by Molmil
GFP-binding DARPin 3G124nc
分子名称: GA-binding protein subunit beta-1, Green fluorescent protein
著者Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
登録日2016-11-03
公開日2017-12-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5ITP
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BU of 5itp by Molmil
Structure of the periplasmic binding protein NocT from A.tumefaciens in complex with octopine
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nopaline-binding periplasmic protein, ...
著者Vigouroux, A, Morera, S.
登録日2016-03-17
公開日2016-11-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fitness costs restrict niche expansion by generalist niche-constructing pathogens.
ISME J, 11, 2017
5MA6
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BU of 5ma6 by Molmil
GFP-binding DARPin 3G124nc
分子名称: 1,2-ETHANEDIOL, 3G124nc, Green fluorescent protein, ...
著者Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
登録日2016-11-03
公開日2017-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
5MAK
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BU of 5mak by Molmil
GFP-binding DARPin fusion gc_R7
分子名称: CITRIC ACID, Green fluorescent protein, R7
著者Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
登録日2016-11-03
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
8DEG
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BU of 8deg by Molmil
Crystal structure of DLK in complex with inhibitor DN0011197
分子名称: Mitogen-activated protein kinase kinase kinase 12, methyl (1S,4S)-5-{(4P)-4-[5-amino-6-(difluoromethoxy)pyrazin-2-yl]-6-[(1R,4R)-2-azabicyclo[2.1.1]hexan-2-yl]pyridin-2-yl}-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
著者Srivastava, A, Lexa, K, de Vicente, J.
登録日2022-06-20
公開日2022-12-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis.
J.Med.Chem., 65, 2022
2WI1
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BU of 2wi1 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine, HEAT SHOCK PROTEIN HSP 90-ALPHA, MAGNESIUM ION
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI5
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BU of 2wi5 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
5MA4
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BU of 5ma4 by Molmil
GFP-binding DARPin fusion gc_K7
分子名称: Green fluorescent protein, K7
著者Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A.
登録日2016-11-03
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
2WI3
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BU of 2wi3 by Molmil
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE, HEAT SHOCK PROTEIN, HSP 90-ALPHA, ...
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
2WI7
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Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
分子名称: 2-amino-4-[2,4-dichloro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-N-ethylthieno[2,3-d]pyrimidine-6-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Brough, P.A, Barril, X, Borgognoni, J, Chene, P, Davies, N.G.M, Davis, B, Drysdale, M.J, Dymock, B, Eccles, S.A, Garcia-Echeverria, C, Fromont, C, Hayes, A, Hubbard, R.E, Jordan, A.M, Rugaard-Jensen, M, Massey, A, Merret, A, Padfield, A, Parsons, R, Radimerski, T, Raynaud, F.I, Robertson, A, Roughley, S.D, Schoepfer, J, Simmonite, H, Surgenor, A, Valenti, M, Walls, S, Webb, P, Wood, M, Workman, P, Wright, L.M.
登録日2009-05-08
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone.
J.Med.Chem., 52, 2009
6U3Q
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The atomic structure of a human adeno-associated virus capsid isolate (AAVhu69/AAVv66)
分子名称: Capsid protein VP1
著者Hsu, H.-L, Brown, A, Loveland, A, Tai, P, Korostelev, A, Gao, G.
登録日2019-08-22
公開日2020-05-27
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.46 Å)
主引用文献Structural characterization of a novel human adeno-associated virus capsid with neurotropic properties.
Nat Commun, 11, 2020

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