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2P3X
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BU of 2p3x by Molmil
Crystal structure of Grenache (Vitis vinifera) Polyphenol Oxidase
分子名称: CU-O-CU LINKAGE, Polyphenol oxidase, chloroplast
著者Reyes Grajeda, J.P, Virador, V.M, Blanco-Labra, A, Mendiola-Olaya, E, Smith, G.M, Moreno, A, Whitaker, J.R.
登録日2007-03-09
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cloning, sequencing, purification, and crystal structure of Grenache (Vitis vinifera) polyphenol oxidase.
J.Agric.Food Chem., 58, 2010
4M3F
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BU of 4m3f by Molmil
Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches
分子名称: HTH-type transcriptional regulator EthR, N-(3-methylbutyl)-4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
著者Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N.
登録日2013-08-06
公開日2014-06-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
2PCL
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BU of 2pcl by Molmil
Crystal structure of ABC transporter with complex (aq_297) from aquifex aeolicus VF5
分子名称: 1,2-ETHANEDIOL, Lipoprotein-releasing system ATP-binding protein lolD, MAGNESIUM ION, ...
著者Jeyakanthan, J, Kanaujia, S.P, Rafi, Z.A, Sekar, K, Ebihara, A, Nakagawa, N, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-30
公開日2007-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of ABC transporter with complex (aq_297) from aquifex aeolicus VF5
To be Published
2PCR
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BU of 2pcr by Molmil
Crystal structure of Myo-inositol-1(or 4)-monophosphatase (aq_1983) from Aquifex Aeolicus VF5
分子名称: Inositol-1-monophosphatase
著者Jeyakanthan, J, Gayathri, D, Velmurugan, D, Agari, Y, Bessho, Y, Ellis, M.J, Antonyuk, S.V, Strange, R.W, Hasnain, S.S, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-30
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Myo-inositol-1(or 4)-monophosphatase (aq_1983) from Aquifex Aeolicus VF5
To be Published
6X89
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BU of 6x89 by Molmil
Vigna radiata mitochondrial complex I*
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Letts, J.A, Maldonado, M, Padavannil, A, Zhou, L, Guo, F.
登録日2020-06-01
公開日2020-09-02
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Atomic structure of a mitochondrial complex I intermediate from vascular plants.
Elife, 9, 2020
3Q4T
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BU of 3q4t by Molmil
Crystal structure of Activin receptor type-IIA (ACVR2A) kinase domain in complex with dorsomorphin
分子名称: 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Activin receptor type-2A, ...
著者Chaikuad, A, Alfano, I, Mahajan, P, Cooper, C.D.O, Sanvitale, C, Vollmar, M, Krojer, T, Muniz, J.R.C, Raynor, J, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
登録日2010-12-24
公開日2011-02-09
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Small Molecules Dorsomorphin and LDN-193189 Inhibit Myostatin/GDF8 Signaling and Promote Functional Myoblast Differentiation.
J.Biol.Chem., 290, 2015
1SY9
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BU of 1sy9 by Molmil
Structure of calmodulin complexed with a fragment of the olfactory CNG channel
分子名称: CALCIUM ION, CALMODULIN, Cyclic-nucleotide-gated olfactory channel
著者Contessa, G.M, Orsale, M, Melino, S, Torre, V, Paci, M, Desideri, A, Cicero, D.O.
登録日2004-04-01
公開日2005-04-12
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of calmodulin complexed with an olfactory CNG channel fragment and role of the central linker: residual dipolar couplings to evaluate calmodulin binding modes outside the kinase family.
J.Biomol.Nmr, 31, 2005
7BVI
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BU of 7bvi by Molmil
Crystal structure of Pennisetum glaucum monodehydroascorbate reductase
分子名称: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pennisetum glaucum monodehydroascorbate reductase
著者Sonkar, K.S, Arulandu, A, Achary, M.M, Reddy, M.K.
登録日2020-04-10
公開日2021-04-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Biochemical and structural characterization of a robust and thermostable ascorbate recycling monodehydroascorbate reductase (MDHAR) from stress adapted pearl millet.
Biochem.Biophys.Res.Commun., 662, 2023
2Q2G
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BU of 2q2g by Molmil
Crystal structure of dimerization domain of HSP40 from Cryptosporidium parvum, cgd2_1800
分子名称: Heat shock 40 kDa protein, putative (fragment), SULFATE ION
著者Wernimont, A.K, Lew, J, Lin, L, Hassanali, A, Kozieradzki, I, Wasney, G, Vedadi, M, Walker, J.R, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
登録日2007-05-28
公開日2007-06-12
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 dimerization domain of HSP40 from Cryptosporidium parvum, cgd2_1800.
To be Published
2PLU
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BU of 2plu by Molmil
Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120
分子名称: 20k cyclophilin, putative
著者Wernimont, A.K, Lew, J, Hills, T, Kozieradzki, I, Lin, Y.H, Hassanali, A, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-04-20
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Crystal structure of Cryptosporidium parvum cyclophilin type peptidyl-prolyl cis-trans isomerase cgd2_4120.
To be Published
1V03
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BU of 1v03 by Molmil
Crystal structure of the Sorghum bicolor dhurrinase 1
分子名称: ACETONITRILE, DHURRINASE, PHENOL, ...
著者Moriniere, J, Verdoucq, L, Bevan, D.R, Esen, A, Henrissat, B, Czjzek, M.
登録日2004-03-22
公開日2004-05-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Determinants of Substrate Specificity in Family 1 Beta-Glucosidases: Novel Insights from the Crystal Structure of Sorghum Dhurrinase-1, a Plant Beta-Glucosidase with Strict Specificity, in Complex with its Natural Substrate
J.Biol.Chem., 279, 2004
2PLR
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BU of 2plr by Molmil
Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Kanaujia, S.P, Jeyakanthan, J, Rafi, Z.A, Sekar, K, Nakagawa, N, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-20
公開日2008-04-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of dTMP kinase (st1543) from Sulfolobus Tokodaii Strain7
To be Published
2PPY
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BU of 2ppy by Molmil
Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase
著者Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-01
公開日2008-05-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
To be Published
4OTQ
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BU of 4otq by Molmil
Crystal structure of BTK kinase domain complexed with 1-[5-[3-(7-tert-butyl-4-oxo-quinazolin-3-yl)-2-methyl-phenyl]-1-methyl-2-oxo-3-pyridyl]-3-methyl-urea
分子名称: 1-{5-[3-(7-tert-butyl-4-oxoquinazolin-3(4H)-yl)-2-methylphenyl]-1-methyl-2-oxo-1,2-dihydropyridin-3-yl}-3-methylurea, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-02-14
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
2PG0
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BU of 2pg0 by Molmil
Crystal structure of acyl-CoA dehydrogenase from Geobacillus kaustophilus
分子名称: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
著者Chen, L, Chen, L.-Q, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhao, M, Li, Y, Fu, Z.-Q, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-04-06
公開日2007-05-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of acyl-CoA dehydrogenase from G. kaustophilus
To be Published
2PHF
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BU of 2phf by Molmil
Pterocarpus angolensis lectin complexed with Man-6
分子名称: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
著者Garcia-Pino, A, Buts, L, Wyns, L, Imberty, A, Loris, R.
登録日2007-04-11
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献How a plant lectin recognizes high mannose oligosaccharides
Plant Physiol., 144, 2007
2PHX
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BU of 2phx by Molmil
Pterocarpus angolensis lectin (PAL) in complex with Man-5
分子名称: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
著者Garcia-Pino, A, Buts, L, Wyns, L, Imberty, A, Loris, R.
登録日2007-04-12
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献How a plant lectin recognizes high mannose oligosaccharides
Plant Physiol., 144, 2007
2P68
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BU of 2p68 by Molmil
Crystal Structure of aq_1716 from Aquifex Aeolicus VF5
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase
著者Chen, L, Chen, L.-Q, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhao, M, Dillard, B, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-16
公開日2007-04-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of aq_1716 from Aquifex aeolicus VF5
To be Published
6ZTH
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BU of 6zth by Molmil
Phospholipase PlaB from Legionella pneumophila
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PlaB phospholipase
著者Diwo, M.G, Flieger, A, Blankenfeldt, W.
登録日2020-07-20
公開日2021-06-02
最終更新日2021-06-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
6ZTI
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BU of 6zti by Molmil
Phospholipase PlaB from Legionella pneumophila in complex with thio-NAD
分子名称: GLYCEROL, PlaB phospholipase, THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Diwo, M.G, Flieger, A, Blankenfeldt, W.
登録日2020-07-20
公開日2021-06-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献NAD(H)-mediated tetramerization controls the activity of Legionella pneumophila phospholipase PlaB.
Proc.Natl.Acad.Sci.USA, 118, 2021
2P7J
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BU of 2p7j by Molmil
Crystal structure of the domain of putative sensory box/GGDEF family protein from Vibrio parahaemolyticus
分子名称: ACETIC ACID, Putative sensory box/GGDEF family protein, SODIUM ION, ...
著者Wu, R, James, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-03-20
公開日2007-05-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献The crystal structure of the domain of putative sensory box/GGDEF family protein from Vibrio parahaemolyticus
To be Published
4OT5
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BU of 4ot5 by Molmil
Crystal structure of BTK kinase domain complexed with 4-tert-Butyl-N-(3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide
分子名称: 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK
著者Kuglstatter, A, Wong, A.
登録日2014-02-13
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis.
J.Med.Chem., 58, 2015
2PCQ
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BU of 2pcq by Molmil
Crystal structure of putative dihydrodipicolinate synthase (TTHA0737) from Thermus Thermophilus HB8
分子名称: GLYCEROL, POTASSIUM ION, Putative dihydrodipicolinate synthase
著者Jeyakanthan, J, Kanaujia, S.P, Vasuki Ranjani, C, Sekar, K, Kitamura, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-30
公開日2007-10-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of putative dihydrodipicolinate synthase (TTHA0737) from Thermus Thermophilus HB8
To be Published
2P62
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BU of 2p62 by Molmil
Crystal structure of hypothetical protein PH0156 from Pyrococcus horikoshii OT3
分子名称: Hypothetical protein PH0156
著者Fu, Z.-Q, Chen, L, Zhu, J, Swindell, J.T, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Chrzas, J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-16
公開日2007-04-17
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of hypothetical protein PH0156 from Pyrococcus horikoshii OT3
To be Published
1TLJ
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BU of 1tlj by Molmil
Crystal Structure of Conserved Protein of Unknown Function SSO0622 from Sulfolobus solfataricus
分子名称: Hypothetical UPF0130 protein SSO0622, SULFATE ION
著者Jia, Z, Wong, A.H.Y, Kudrytska, M, Skarina, T, Walker, J, Savchenko, A, Edwards, A, Midwest Center for Structural Genomics (MCSG)
登録日2004-06-09
公開日2004-08-03
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and functional characterization of the TYW3/Taw3 class of SAM-dependent methyltransferases.
Rna, 23, 2017

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