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6WC8
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BU of 6wc8 by Molmil
HIV Integrase core domain in complex with inhibitor 2-(5-(3-fluorophenyl)-2-(2-(thiophen-2-yl)ethynyl)-1- benzofuran-3-yl)ethanoic acid
分子名称: IODIDE ION, Integrase, SULFATE ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2020-03-29
公開日2021-03-31
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献HIV Integrase core domain in complex with inhibitor
To Be Published
6WKU
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BU of 6wku by Molmil
Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain
分子名称: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ...
著者Boudko, S.P, Hudson, B.G.
登録日2020-04-17
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer.
J.Biol.Chem., 296, 2021
6WZW
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BU of 6wzw by Molmil
Ash1L SET domain in complex with AS-85
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ...
著者Li, H, Deng, J, Cierpicki, T, Grembecka, J.
登録日2020-05-14
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
6X0P
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BU of 6x0p by Molmil
Ash1L SET domain Q2265A mutant in complex with AS-5
分子名称: 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide, Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ...
著者Rogawski, D.S, Li, H, Borkin, D, Cierpicki, T, Grembecka, J.
登録日2020-05-17
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
6WMZ
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BU of 6wmz by Molmil
Crystal structure of human SFPQ/NONO complex
分子名称: Non-POU domain-containing octamer-binding protein, SULFATE ION, Splicing factor, ...
著者Lee, M, Bond, C.S.
登録日2020-04-22
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structure analysis of human SFPQ/NONO complex
To Be Published
6WH6
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BU of 6wh6 by Molmil
Crystal structure of human sulfide quinone oxidoreductase in complex with coenzyme Q (cyanide soaked)
分子名称: CYANIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Sulfide:quinone oxidoreductase, ...
著者Banerjee, R, Cho, U.S, Moon, S.
登録日2020-04-07
公開日2021-04-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Dismantling and Rebuilding the Trisulfide Cofactor Demonstrates Its Essential Role in Human Sulfide Quinone Oxidoreductase.
J.Am.Chem.Soc., 142, 2020
6WNK
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BU of 6wnk by Molmil
Macrocyclic peptides TDI5575 that selectively inhibit the Mycobacterium tuberculosis proteasome
分子名称: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide, CITRIC ACID, DIMETHYLFORMAMIDE, ...
著者Hsu, H.C, Li, H.
登録日2020-04-22
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Macrocyclic Peptides that Selectively Inhibit the Mycobacterium tuberculosis Proteasome.
J.Med.Chem., 64, 2021
6WHG
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BU of 6whg by Molmil
PI3P and calcium bound full-length TRPY1 in detergent
分子名称: (2R)-1-(butanoyloxy)-3-{[(R)-hydroxy{[(1S,2S,3S,4S,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propan-2-yl hexadecanoate, CALCIUM ION, Calcium channel YVC1
著者Ahmed, T, Moiseenkova-Bell, V.Y.
登録日2020-04-08
公開日2021-04-21
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the ancient TRPY1 channel from Saccharomyces cerevisiae reveals mechanisms of modulation by lipids and calcium.
Structure, 30, 2022
6WM8
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BU of 6wm8 by Molmil
Proliferation-Associated protein 2G4 (PA2G4)
分子名称: Proliferation-associated protein 2G4, SULFATE ION
著者Gorman, M.A, Stevenson, B.W, Parker, M.W.
登録日2020-04-20
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献PA2G4: A Structural Perspective
To Be Published
2APF
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BU of 2apf by Molmil
Crystal Structure of the A52V/S54N/K66E variant of the murine T cell receptor V beta 8.2 domain
分子名称: MALONIC ACID, T cell receptor beta chain V
著者Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J.
登録日2005-08-16
公開日2006-03-21
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction.
Structure, 13, 2005
6WJZ
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BU of 6wjz by Molmil
Crystal structure of human ribokinase in complex with AMPCP
分子名称: GLYCEROL, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
著者Park, J.
登録日2020-04-15
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of human ribokinase
To Be Published
6WKT
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BU of 6wkt by Molmil
Cu(I)-bound Copper Storage Protein BsCsp3
分子名称: Csp3
著者Chen, J.Z, Oken, A, Dennison, C, Lee, J, David, S.
登録日2020-04-16
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cu(I)-bound Copper Storage Protein BsCsp3
To Be Published
6WTA
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BU of 6wta by Molmil
Structure of F420-H2 Dependent Oxidoreductase (FDOR-A) MSMEG_2027 in complex with F420
分子名称: COENZYME F420-4, Uncharacterized protein
著者Jackson, C.J, Antoney, J.P.
登録日2020-05-01
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A F420-dependent single domain chemogenetic tool for protein de-dimerization
Biorxiv, 2022
6WSH
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BU of 6wsh by Molmil
Crystal structure of EutV from Enterococcus faecalis
分子名称: GLYCEROL, MAGNESIUM ION, Response regulator, ...
著者Ataide, S.F, Walshe, J.L.
登録日2020-05-01
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural characterization of the ANTAR antiterminator domain bound to RNA.
Nucleic Acids Res., 50, 2022
6WKN
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BU of 6wkn by Molmil
PL-bound rat TRPV2 in nanodiscs
分子名称: Transient receptor potential cation channel subfamily V member 2, piperlongumine
著者Pumroy, R.P, Moiseenkova-Bell, V.Y.
登録日2020-04-16
公開日2021-04-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression.
Acs Cent.Sci., 7, 2021
6WR1
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BU of 6wr1 by Molmil
Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone
分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-04-29
公開日2021-05-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
2B00
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BU of 2b00 by Molmil
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycocholate
分子名称: CALCIUM ION, GLYCOCHOLIC ACID, Phospholipase A2, ...
著者Pan, Y.H, Bahnson, B.J, Jain, M.K.
登録日2005-09-12
公開日2006-11-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
2B04
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BU of 2b04 by Molmil
Crystal Structure of Porcine Pancreatic Phospholipase A2 in Complex with Glycochenodeoxycholate
分子名称: CALCIUM ION, CHLORIDE ION, GLYCOCHENODEOXYCHOLIC ACID, ...
著者Pan, Y.H, Bahnson, B.J, Jain, M.K.
登録日2005-09-12
公開日2006-11-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for bile salt inhibition of pancreatic phospholipase A2.
J.Mol.Biol., 369, 2007
2AUB
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BU of 2aub by Molmil
Lysozyme structure derived from thin-film-based crystals
分子名称: Lysozyme C
著者Pechkova, E, Sivozhelezov, V, Tropiano, G, Fiordoro, S, Nicolini, C.
登録日2005-08-27
公開日2005-12-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Comparison of lysozyme structures derived from thin-film-based and classical crystals.
Acta Crystallogr.,Sect.D, 61, 2005
6WTB
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BU of 6wtb by Molmil
Sort-Tagged Drosophila Cryptochrome
分子名称: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION
著者Schneps, C.M, Crane, B.R.
登録日2020-05-02
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Tuning flavin environment to detect and control light-induced conformational switching in Drosophila cryptochrome.
Commun Biol, 4, 2021
6WR0
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BU of 6wr0 by Molmil
Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog
分子名称: (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Petrunak, E.M, Bart, A.G, Scott, E.E.
登録日2020-04-29
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site.
J.Biol.Chem., 299, 2023
6WXI
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BU of 6wxi by Molmil
Colicin E1 fragment in nanodisc-embedded TolC
分子名称: Outer membrane protein TolC
著者Kaelber, J.T, Budiardjo, S.J, Firlar, E, Ikujuni, A.P, Slusky, J.S.G.
登録日2020-05-10
公開日2021-05-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (2.84 Å)
主引用文献Colicin E1 opens its hinge to plug TolC.
Elife, 11, 2022
6WXH
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BU of 6wxh by Molmil
Colicin E1 fragment in nanodisc-embedded TolC
分子名称: Colicin-E1, Outer membrane protein TolC
著者Kaelber, J.T, Budiardjo, S.J, Firlar, E, Case, D.A, Ikujuni, A.P, Slusky, J.S.G.
登録日2020-05-10
公開日2021-05-12
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Colicin E1 opens its hinge to plug TolC.
Elife, 11, 2022
2AHU
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BU of 2ahu by Molmil
Crystal structure of Acyl-CoA transferase (YdiF) apoenzyme from Escherichia coli O157:H7.
分子名称: putative enzyme ydiF
著者Rangarajan, E.S, Li, Y, Ajamian, E, Iannuzzi, P, Kernaghan, S.D, Fraser, M.E, Cygler, M, Matte, A, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
登録日2005-07-28
公開日2005-11-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic trapping of the glutamyl-CoA thioester intermediate of family I CoA transferases.
J.Biol.Chem., 280, 2005
2B20
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Crystal Structure of Enterochelin Esterase from Shigella flexneri Enterochelin Esterase
分子名称: L(+)-TARTARIC ACID, enterochelin esterase
著者Kim, Y, Maltseva, N, Dementieva, I, Quartey, P, Holzle, D, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-09-16
公開日2005-11-01
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure of Enterochelin Esterase from Shigella flexneri Enterochelin Esterase
To be Published

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件を2024-08-14に公開中

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