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3FAJ
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Structure of the structural protein P131 of the archaeal virus Acidianus Two-tailed virus (ATV)
分子名称: CHLORIDE ION, Putative uncharacterized protein
著者Goulet, A, Vestergaard, G, Scheele, U, Campanacci, V, Garrett, R.A, Cambillau, C.
登録日2008-11-17
公開日2009-11-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the structural protein P131 of the archaeal virus Acidianus Two-tailed virus (ATV)
To be Published
6FB8
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Crystal Structure of the I-CreI Homing Endonuclease D75N variant in complex with an altered version of its target DNA at 5NNN region in the presence of Magnesium
分子名称: DNA (5'-D(*TP*CP*AP*AP*AP*AP*CP*GP*TP*CP*GP*TP*AP*CP*GP*CP*AP*GP*TP*TP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*AP*AP*AP*CP*TP*GP*CP*GP*TP*AP*CP*GP*AP*CP*GP*TP*TP*TP*TP*GP*A)-3'), DNA endonuclease I-CreI, ...
著者Molina, R, Prieto, J.
登録日2017-12-18
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Understanding the indirect DNA read-out specificity of I-CreI Meganuclease.
Sci Rep, 8, 2018
4Y7Y
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BU of 4y7y by Molmil
Yeast 20S proteasome in complex with Ac-LAA-ep
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ac-LAA-ep, CHLORIDE ION, ...
著者Huber, E.M, Groll, M.
登録日2015-02-16
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
1FZC
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BU of 1fzc by Molmil
CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH TWO DIFFERENT BOUND LIGANDS
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, CALCIUM ION, ...
著者Everse, S.J, Spraggon, G, Veerapandian, L, Riley, M, Doolittle, R.F.
登録日1998-05-19
公開日1998-10-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of fragment double-D from human fibrin with two different bound ligands.
Biochemistry, 37, 1998
1G04
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SOLUTION STRUCTURE OF SYNTHETIC 26-MER PEPTIDE CONTAINING 145-169 SHEEP PRION PROTEIN SEGMENT AND C-TERMINAL CYSTEINE
分子名称: MAJOR PRION PROTEIN
著者Kozin, S.A, Bertho, G, Mazur, A.K, Rabesona, H, Girault, J.-P, Haertle, T, Takahashi, M, Debey, P, Hui Bon Hoa, G.
登録日2000-10-05
公開日2002-01-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Sheep prion protein synthetic peptide spanning helix 1 and beta-strand 2 (residues 142-166) shows beta-hairpin structure in solution.
J.Biol.Chem., 276, 2001
3JB4
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BU of 3jb4 by Molmil
Structure of Ljungan virus: insight into picornavirus packaging
分子名称: VP0, VP1, VP3
著者Zhu, L, Wang, X.X, Ren, J.S, Porta, C, Wenham, H, Ekstrom, J.-O, Panjwani, A, Knowles, N.J, Kotecha, A, Siebert, A, Lindberg, M, Fry, E.E, Rao, Z.H, Tuthill, T.J, Stuart, D.I.
登録日2015-07-21
公開日2015-10-21
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of Ljungan virus provides insight into genome packaging of this picornavirus.
Nat Commun, 6, 2015
3FYN
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BU of 3fyn by Molmil
Crystal structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3
分子名称: ACETATE ION, Integron gene cassette protein HFX_CASS3, MAGNESIUM ION
著者Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
登録日2009-01-22
公開日2009-02-10
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS3
To be Published
2CG9
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Crystal structure of an Hsp90-Sba1 closed chaperone complex
分子名称: ADENOSINE-5'-TRIPHOSPHATE, ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, CO-CHAPERONE PROTEIN SBA1
著者Ali, M.M.U, Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2006-03-01
公開日2006-04-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Crystal Structure of an Hsp90-Nucleotide-P23/Sba1 Closed Chaperone Complex
Nature, 440, 2006
1FZD
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BU of 1fzd by Molmil
STRUCTURE OF RECOMBINANT ALPHAEC DOMAIN FROM HUMAN FIBRINOGEN-420
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Spraggon, G, Applegate, D, Everse, S.J, Zhang, J.-Z, Veerapandian, L, Redman, C, Doolittle, R.F, Grieninger, G.
登録日1998-06-22
公開日1998-08-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a recombinant alphaEC domain from human fibrinogen-420.
Proc.Natl.Acad.Sci.USA, 95, 1998
6FMJ
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BU of 6fmj by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-((S)-2-Acetamidopropanethioyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl) benzyl)pyrrolidine-2-carboxamide (ligand 3)
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-acetamidopropanethioyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
6FXJ
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Structure of coproheme decarboxylase from Listeria monocytogenes in complex with iron coproporphyrin III
分子名称: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, CHLORIDE ION, N-PROPANOL, ...
著者Hofbauer, S, Pfanzagl, V, Mlynek, G.
登録日2018-03-09
公開日2019-07-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Redox Cofactor Rotates during Its Stepwise Decarboxylation: Molecular Mechanism of Conversion of Coproheme to Hemeb.
Acs Catalysis, 9, 2019
8E76
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Cryo-EM structure of Apo form ME3
分子名称: NADP-dependent malic enzyme, mitochondrial
著者Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
登録日2022-08-23
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.51 Å)
主引用文献Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
8E8O
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Cryo-EM structure of human ME3 in the presence of citrate
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent malic enzyme, mitochondrial
著者Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
登録日2022-08-25
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
8E78
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Cryo-EM structure of human ME3 in the presence of citrate
分子名称: NADP-dependent malic enzyme, mitochondrial
著者Yu, X, Grell, T.A.J, Shaffer, P.L, Steele, R, Sharma, S, Thompson, A.A, Tresadern, G, Ortiz-Meoz, R.F, Mason, M, Gomez-Tamayo, J.C, Riley, D, Wagner, M.V, Wadia, J.
登録日2022-08-23
公開日2023-02-08
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.77 Å)
主引用文献Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer.
Heliyon, 8, 2022
7LME
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BU of 7lme by Molmil
SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide
分子名称: 3C-like proteinase, ~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide
著者Goins, C.M, Arya, T, Macdonald, J.D, Stauffer, S.R.
登録日2021-02-05
公開日2021-08-11
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Optimization of ML300-Derived, Noncovalent Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus 3CL Protease (SARS-CoV-2 3CL pro ).
J.Med.Chem., 65, 2022
6FMK
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BU of 6fmk by Molmil
pVHL:EloB:EloC in complex with N-((S)-1-((2S,4R)-4-hydroxy-2-((4-(4-methylthiazol-5-yl)benzyl)carbamothioyl) pyrrolidin-1-yl)-1-thioxopropan-2-yl)acetamide (ligand 4)
分子名称: Elongin-B, Elongin-C, von Hippel-Lindau disease tumor suppressor, ...
著者Soares, P, Lucas, X, Ciulli, A.
登録日2018-01-31
公開日2018-04-11
最終更新日2018-06-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Thioamide substitution to probe the hydroxyproline recognition of VHL ligands.
Bioorg. Med. Chem., 26, 2018
1FZF
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BU of 1fzf by Molmil
CRYSTAL STRUCTURE OF FRAGMENT DOUBLE-D FROM HUMAN FIBRIN WITH THE PEPTIDE LIGAND GLY-HIS-ARG-PRO-AMIDE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FIBRINOGEN
著者Everse, S.J, Spraggon, G, Veerapandian, L, Doolittle, R.F.
登録日1998-12-28
公開日1999-06-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational changes in fragments D and double-D from human fibrin(ogen) upon binding the peptide ligand Gly-His-Arg-Pro-amide.
Biochemistry, 38, 1999
7JYS
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hALK in complex with 3-(3-chlorophenyl)-5-methyl-1H-pyrazole
分子名称: 1,2-ETHANEDIOL, 3-(3-chlorophenyl)-5-methyl-1H-pyrazole, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
3JCA
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BU of 3jca by Molmil
Core model of the Mouse Mammary Tumor Virus intasome
分子名称: 5'-D(*AP*AP*TP*GP*CP*CP*GP*CP*AP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*CP*TP*G)-3', 5'-D(*CP*AP*GP*GP*TP*CP*GP*GP*CP*CP*GP*AP*CP*TP*GP*CP*GP*GP*CP*A)-3', Integrase, ...
著者Lyumkis, D.L, Ballandras-Colas, A, Brown, M, Cook, N.J, Dewdney, T.G, Demeler, B, Cherepanov, P, Engelman, A.N.
登録日2015-11-24
公開日2016-02-17
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM reveals a novel octameric integrase structure for betaretroviral intasome function.
Nature, 530, 2016
3FXH
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Crystal structure from the mobile metagenome of Halifax Harbour Sewage Outfall: Integron Cassette Protein HFX_CASS2
分子名称: Integron gene cassette protein HFX_CASS2
著者Sureshan, V, Deshpande, C, Harrop, S.J, Kudritska, M, Koenig, J.E, Evdokimova, E, Chang, C, Edwards, A.M, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
登録日2009-01-20
公開日2009-02-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.837 Å)
主引用文献Integron gene cassettes: a repository of novel protein folds with distinct interaction sites.
Plos One, 8, 2013
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 2023
7JYR
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hALK in complex with 1-[(1R,2R)-1-(2,4-difluorophenyl)-2-[2-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)phenoxy]cyclopropyl]methanamine
分子名称: 1,2-ETHANEDIOL, 4-{[(1R,2R)-2-(2,4-difluorophenyl)cyclopropyl]oxy}-3-(5-methyl-1H-pyrazol-3-yl)benzonitrile, ALK tyrosine kinase receptor
著者McGrath, A.P, Zou, H, Lane, W, Saikatendu, K.
登録日2020-08-31
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Discovery of Novel and Highly Selective Cyclopropane ALK Inhibitors through a Fragment-Assisted, Structure-Based Drug Design.
Acs Omega, 5, 2020
6FUD
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Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikA with the HMA domain of Pikm-1 from rice (Oryza sativa)
分子名称: AVR-Pik protein, NBS-LRR class disease resistance protein
著者Franceschetti, M, De la Concepcion, J.C, Banfield, M.J.
登録日2018-02-26
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Polymorphic residues in rice NLRs expand binding and response to effectors of the blast pathogen.
Nat Plants, 4, 2018
1O7O
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Roles of Individual Residues of Alpha-1,3 Galactosyltransferases in Substrate Binding and Catalysis
分子名称: MANGANESE (II) ION, N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE, URIDINE-5'-DIPHOSPHATE, ...
著者Zhang, Y, Swaminathan, G.J, Deshpande, A, Natesh, R, Xie, Z, Acharya, K.R, Brew, K.
登録日2002-11-11
公開日2003-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Roles of individual enzyme-substrate interactions by alpha-1,3-galactosyltransferase in catalysis and specificity.
Biochemistry, 42, 2003
3G5N
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Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
分子名称: 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
著者Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
登録日2009-02-05
公開日2009-05-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009

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