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4LWA
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BU of 4lwa by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with ((2S, 3S)-1,3-bis((6-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylpyridin-2-yl)methoxy)-2-aminobutane
分子名称: 6,6'-{[(2S,3S)-2-aminobutane-1,3-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), CHLORIDE ION, GLYCEROL, ...
著者Holden, J.K, Li, H, Poulos, T.P.
登録日2013-07-26
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
8TOB
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BU of 8tob by Molmil
Acinetobacter GP16 Type IV pilus
分子名称: Fimbrial protein
著者Meng, R, Xing, Z, Zhang, J.
登録日2023-08-03
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8SW4
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BU of 8sw4 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 21M20 heavy chain variable region, ...
著者Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
登録日2023-05-17
公開日2024-05-29
最終更新日2024-09-11
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Germline-targeting HIV vaccination induces neutralizing antibodies to the CD4 binding site.
Sci Immunol, 9, 2024
8TWC
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BU of 8twc by Molmil
Acinetobacter phage AP205 T=3 VLP
分子名称: Coat protein
著者Meng, R, Xing, Z, Zhang, J.
登録日2023-08-20
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
8TW2
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BU of 8tw2 by Molmil
Acinetobacter phage AP205 T=4 VLP
分子名称: Coat protein
著者Meng, R, Xing, Z, Zhang, J.
登録日2023-08-19
公開日2024-03-06
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
3QSD
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BU of 3qsd by Molmil
Structure of cathepsin B1 from Schistosoma mansoni in complex with CA074 inhibitor
分子名称: ACETATE ION, Cathepsin B-like peptidase (C01 family), DI(HYDROXYETHYL)ETHER, ...
著者Rezacova, P, Jilkova, A, Brynda, J, Horn, M, Mares, M.
登録日2011-02-21
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural Basis for Inhibition of Cathepsin B Drug Target from the Human Blood Fluke, Schistosoma mansoni.
J.Biol.Chem., 286, 2011
4P38
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BU of 4p38 by Molmil
Human 11beta-Hydroxysteroid Dehydrogenase Type 1 in complex with AZD8329
分子名称: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid, CHLORIDE ION, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Ogg, D, Hargreaves, D, Gerhardt, S.
登録日2014-03-06
公開日2014-04-30
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel acidic 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329).
J.Med.Chem., 55, 2012
4LUW
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BU of 4luw by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, ACETATE ION, ...
著者Li, H, Poulos, T.L.
登録日2013-07-25
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
4LWB
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BU of 4lwb by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 6-((((3R,5S)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-({[(3R,5S)-5-{[(6-amino-4-methylpyridin-2-yl)methoxy]methyl}pyrrolidin-3-yl]oxy}methyl)-4-methylpyridin-2-amine, CHLORIDE ION, ...
著者Holden, J.K, Li, H, Poulos, T.L.
登録日2013-07-26
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and biological studies on bacterial nitric oxide synthase inhibitors.
Proc.Natl.Acad.Sci.USA, 110, 2013
4Q4A
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BU of 4q4a by Molmil
Improved model of AMP-PNP bound TM287/288
分子名称: ABC transporter, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Hohl, M, Gruetter, M.G, Seeger, M.A.
登録日2014-04-14
公開日2014-07-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for allosteric cross-talk between the asymmetric nucleotide binding sites of a heterodimeric ABC exporter.
Proc.Natl.Acad.Sci.USA, 111, 2014
2WYA
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BU of 2wya by Molmil
CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2)
分子名称: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, HYDROXYMETHYLGLUTARYL-COA SYNTHASE, ...
著者Yue, W.W, Shafqat, N, Savitsky, P, Roos, A.K, Cooper, C, Murray, J.W, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
登録日2009-11-13
公開日2009-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structures of Human Hmg-Coa Synthase Isoforms Provide Insights Into Inherited Ketogenesis Disorders and Inhibitor Design.
J.Mol.Biol., 398, 2010
7K7A
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BU of 7k7a by Molmil
Transmembrane structure of TNFR1
分子名称: Tumor necrosis factor receptor superfamily member 1A
著者Zhao, L, Chou, J.
登録日2020-09-22
公開日2020-09-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The Diversity and Similarity of Transmembrane Trimerization of TNF Receptors.
Front Cell Dev Biol, 8, 2020
4JYP
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BU of 4jyp by Molmil
crystal Structure of KAI2 Apo form
分子名称: Hydrolase, alpha/beta fold family protein
著者Guo, Y, Zheng, Z, Noel, J.P.
登録日2013-03-31
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Smoke-derived karrikin perception by the alpha/beta-hydrolase KAI2 from Arabidopsis.
Proc.Natl.Acad.Sci.USA, 110, 2013
8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
分子名称: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
著者Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-10-27
公開日2024-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of the sEH Inhibitor Epoxykynin as a Potent Kynurenine Pathway Modulator.
J.Med.Chem., 67, 2024
1R5A
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BU of 1r5a by Molmil
Glutathione S-transferase
分子名称: COPPER (II) ION, GLUTATHIONE SULFONIC ACID, glutathione transferase
著者Oakley, A.J.
登録日2003-10-09
公開日2003-10-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification, characterization and structure of a new Delta class glutathione transferase isoenzyme.
Biochem.J., 388, 2005
4JYM
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BU of 4jym by Molmil
crystal Structure of KAI2 in complex with 3-methyl-2H-furo[2,3-c]pyran-2-one
分子名称: 3-methyl-2H-furo[2,3-c]pyran-2-one, Hydrolase, alpha/beta fold family protein
著者Guo, Y, Zheng, Z, Noel, J.P.
登録日2013-03-30
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Smoke-derived karrikin perception by the alpha/beta-hydrolase KAI2 from Arabidopsis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1O3S
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BU of 1o3s by Molmil
PROTEIN-DNA RECOGNITION AND DNA DEFORMATION REVEALED IN CRYSTAL STRUCTURES OF CAP-DNA COMPLEXES
分子名称: 5'-D(*AP*AP*AP*AP*AP*TP*GP*CP*GP*AP*T)-3', 5'-D(*CP*TP*AP*GP*AP*TP*CP*GP*CP*AP*TP*TP*TP*TP*T)-3', ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, ...
著者Chen, S, Ebright, R.H, Berman, H.M.
登録日2003-03-18
公開日2003-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Indirect Readout of DNA Sequence at the Primary-kink Site in the CAP-DNA Complex: Alteration of DNA Binding Specificity Through Alteration of DNA Kinking
J.Mol.Biol., 314, 2001
3P0B
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BU of 3p0b by Molmil
Thermus thermophilus family GH57 branching enzyme: crystal structure, mechanism of action and products formed
分子名称: GLYCEROL, TT1467 protein
著者Pijning, T, Dijkstra, B.W.
登録日2010-09-28
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Thermus thermophilus GLYCOSYL HYDROLASE FAMILY 57 branching enzyme: crystal structure, mechanism of action and products formed
To be Published
3PUH
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BU of 3puh by Molmil
Cocaine Esterase, wild-type biologically active dimer
分子名称: Cocaine esterase, GLYCEROL, SULFATE ION
著者Nance, M.R, Tesmer, J.J.G.
登録日2010-12-04
公開日2011-09-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time.
Mol.Pharmacol., 80, 2011
3PUI
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BU of 3pui by Molmil
Cocaine Esterase with mutations G4C, S10C
分子名称: CHLORIDE ION, Cocaine esterase, SODIUM ION
著者Nance, M.R, Tesmer, J.J.G.
登録日2010-12-04
公開日2011-09-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Subunit stabilization and polyethylene glycolation of cocaine esterase improves in vivo residence time.
Mol.Pharmacol., 80, 2011
1ZIV
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BU of 1ziv by Molmil
Catalytic Domain of Human Calpain-9
分子名称: BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain 9
著者Walker, J.R, Davis, T, Newman, E.M, Mackenzie, F, Dong, A, Choe, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-04-27
公開日2005-07-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The crystal structures of human calpains 1 and 9 imply diverse mechanisms of action and auto-inhibition.
J.Mol.Biol., 366, 2007
3QTI
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BU of 3qti by Molmil
c-Met Kinase in Complex with NVP-BVU972
分子名称: 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline, CHLORIDE ION, GLYCEROL, ...
著者Appleton, B.A.
登録日2011-02-22
公開日2011-07-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Drug Resistance Screen Using a Selective MET Inhibitor Reveals a Spectrum of Mutations That Partially Overlap with Activating Mutations Found in Cancer Patients.
Cancer Res., 71, 2011
1QUZ
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BU of 1quz by Molmil
Solution structure of the potassium channel scorpion toxin HSTX1
分子名称: HSTX1 TOXIN
著者Savarin, P, Romi-Lebrun, R, Zinn-Justin, S, Lebrun, B, Nakajima, T, Gilquin, B, Menez, A.
登録日1999-07-05
公開日2000-07-07
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献Structural and functional consequences of the presence of a fourth disulfide bridge in the scorpion short toxins: solution structure of the potassium channel inhibitor HsTX1.
Protein Sci., 8, 1999
3RJ0
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BU of 3rj0 by Molmil
Plant steroid receptor BRI1 ectodomain in complex with brassinolide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinolide, Protein BRASSINOSTEROID INSENSITIVE 1, ...
著者Hothorn, M.
登録日2011-04-14
公開日2011-06-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.541 Å)
主引用文献Structural basis of steroid hormone perception by the receptor kinase BRI1.
Nature, 474, 2011
3RIZ
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BU of 3riz by Molmil
Crystal structure of the plant steroid receptor BRI1 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein BRASSINOSTEROID INSENSITIVE 1, ...
著者Hothorn, M.
登録日2011-04-14
公開日2011-06-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.523 Å)
主引用文献Structural basis of steroid hormone perception by the receptor kinase BRI1.
Nature, 474, 2011

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