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5LIT
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BU of 5lit by Molmil
Structure of the DNA duplex d(AAATTT)2 with the potential antiparasitic drug 6XV at 1.25 A resolution
分子名称: 4-((4,5-dihydro-1H-imidazol-2-yl)amino)-N-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzamide dihydrochloride, DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION
著者Millan, C.R, Dardonville, C, de Koning, H.P, Saperas, N, Lourdes Campos, J.
登録日2016-07-15
公開日2017-06-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
5LP3
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BU of 5lp3 by Molmil
Three tetrameric rings of Isoaspartyl Dipeptidase fitted in an EM volume.
分子名称: Isoaspartyl dipeptidase
著者Garcia-Seisdedos, H, Empereur-Mot, C, Elad, N, Levy, E.D.
登録日2016-08-11
公開日2017-07-26
最終更新日2017-08-23
実験手法ELECTRON MICROSCOPY (10.5 Å)
主引用文献Proteins evolve on the edge of supramolecular self-assembly.
Nature, 548, 2017
5LJ3
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BU of 5lj3 by Molmil
Structure of the core of the yeast spliceosome immediately after branching
分子名称: CEF1, CLF1, CWC15, ...
著者Galej, W.P, Wilkinson, M.F, Fica, S.M, Oubridge, C, Newman, A.J, Nagai, K.
登録日2016-07-17
公開日2016-08-03
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-EM structure of the spliceosome immediately after branching.
Nature, 537, 2016
3W31
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BU of 3w31 by Molmil
Structual basis for the recognition of Ubc13 by the Shigella flexneri effector OspI
分子名称: IODIDE ION, ORF169b, Ubiquitin-conjugating enzyme E2 N
著者Nishide, A, Kim, M, Takagi, K, Sasakawa, C, Mizushima, T.
登録日2012-12-07
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Structural basis for the recognition of Ubc13 by the Shigella flexneri effector OspI.
J.Mol.Biol., 425, 2013
8JOJ
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BU of 8joj by Molmil
Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
分子名称: 3-ketosteroid dehydrogenase, 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate, FLAVIN-ADENINE DINUCLEOTIDE
著者Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D.
登録日2023-06-07
公開日2023-07-12
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.819 Å)
主引用文献Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
To Be Published
4HXN
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BU of 4hxn by Molmil
Brd4 Bromodomain 1 complex with 4-(2-FLUOROPHENYL)-1,3-THIAZOL-2(3H)-ONE inhibitor
分子名称: 4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one, Bromodomain-containing protein 4
著者Chen, T.T, Cao, D.Y, Chen, W.Y, Xiong, B, Shen, J.K, Xu, Y.C.
登録日2012-11-12
公開日2013-04-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain.
J.Med.Chem., 56, 2013
4Q7A
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BU of 4q7a by Molmil
Crystal Structure of N-acetyl-ornithine/N-acetyl-lysine Deacetylase from Sphaerobacter thermophilus
分子名称: CHLORIDE ION, GLYCEROL, N-acetyl-ornithine/N-acetyl-lysine deacetylase, ...
著者Kim, Y, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-04-24
公開日2014-07-02
実験手法X-RAY DIFFRACTION (2.048 Å)
主引用文献Crystal Structure of N-acetyl-ornithine/N-acetyl-lysine Deacetylase from Sphaerobacter thermophilus
To be Published
6B0D
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BU of 6b0d by Molmil
An E. coli DPS protein from ferritin superfamily
分子名称: DNA protection during starvation protein, FORMIC ACID, SODIUM ION
著者Rui, W, Ruslan, S, Ronan, K, Adam, J.S.
登録日2017-09-14
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献SIMBAD: a sequence-independent molecular-replacement pipeline.
Acta Crystallogr D Struct Biol, 74, 2018
8D7F
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BU of 8d7f by Molmil
FlvF from Aspergillus flavus in complex with Bis-Tris
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Terpene cyclase flvF
著者Tararina, M.A, Christianson, D.W.
登録日2022-06-07
公開日2022-09-07
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure of the Repurposed Fungal Terpene Cyclase FlvF Implicated in the C-N Bond-Forming Reaction of Flavunoidine Biosynthesis.
Biochemistry, 61, 2022
6B0Z
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BU of 6b0z by Molmil
IDH1 R132H mutant in complex with IDH305
分子名称: (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one, CITRATE ANION, Isocitrate dehydrogenase [NADP] cytoplasmic, ...
著者Xie, X, Kulathila, R.
登録日2017-09-15
公開日2017-11-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.334 Å)
主引用文献Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor.
ACS Med Chem Lett, 8, 2017
3NXR
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BU of 3nxr by Molmil
Perferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro[2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
3NXX
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BU of 3nxx by Molmil
Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Cody, V.
登録日2010-07-14
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
8A4O
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BU of 8a4o by Molmil
Crystal structure of the Ustilago hordei effector protein Uvi2
分子名称: Effector protein Uvi2
著者Weiland, P, Bange, G, Altegoer, F.
登録日2022-06-13
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
1S40
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BU of 1s40 by Molmil
SOLUTION STRUCTURE OF THE CDC13 DNA-BINDING DOMAIN COMPLEXED WITH A SINGLE-STRANDED TELOMERIC DNA 11-MER
分子名称: 5'-D(*GP*TP*GP*TP*GP*GP*GP*TP*GP*TP*G)-3', Cell division control protein 13
著者Mitton-Fry, R.M, Anderson, E.M, Theobald, D.L, Glustrom, L.W, Wuttke, D.S.
登録日2004-01-14
公開日2004-05-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural basis for telomeric single-stranded DNA recognition by yeast Cdc13
J.Mol.Biol., 338, 2004
1ILQ
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BU of 1ilq by Molmil
CXCR-1 N-TERMINAL PEPTIDE BOUND TO INTERLEUKIN-8 (MINIMIZED MEAN)
分子名称: INTERLEUKIN-8 PRECURSOR, INTERLEUKIN-8 RECEPTOR A
著者Skelton, N.J, Quan, C, Lowman, H.
登録日1998-12-17
公開日1998-12-23
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Structure of a CXC chemokine-receptor fragment in complex with interleukin-8.
Structure Fold.Des., 7, 1999
8J51
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BU of 8j51 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase in complex with galactose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase, ...
著者Ikegaya, M, Miyazaki, T.
登録日2023-04-21
公開日2023-07-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
4QGS
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BU of 4qgs by Molmil
Substrate and cofactor-free form of the Aldehyde Reductase YqhD from E. coli.
分子名称: Alcohol dehydrogenase YqhD, CHLORIDE ION, ZINC ION
著者LaMattina, J.W, Kapoor, S, Lanzilotta, W.N.
登録日2014-05-24
公開日2015-05-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Open form of E. coli YqhD
To be Published
8A14
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BU of 8a14 by Molmil
Crystal structure of the cerato-platanin-like protein Cpl1 from Ustilago maydis
分子名称: Cerato-platatanin-like protein 1
著者Weiland, P, Bange, G, Altegoer, F.
登録日2022-05-31
公開日2023-05-17
最終更新日2023-06-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of the cerato-platanin-like protein Cpl1 suggests diverging functions in smut fungi.
Mol Plant Pathol, 24, 2023
8J50
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BU of 8j50 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase
著者Ikegaya, M, Miyazaki, T.
登録日2023-04-21
公開日2023-07-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
1BHJ
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BU of 1bhj by Molmil
CRYSTAL STRUCTURE OF APO-GLYCINE N-METHYLTRANSFERASE (GNMT)
分子名称: GLYCINE N-METHYLTRANSFERASE
著者Pattanayek, R, Newcomer, M.E, Wagner, C.
登録日1998-06-09
公開日1999-01-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of apo-glycine N-methyltransferase (GNMT).
Protein Sci., 7, 1998
8J52
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BU of 8j52 by Molmil
Crystal structure of Flavihumibacter petaseus GH31 alpha-galactosidase mutant D304A in complex with alpha-1,4-galactobiose
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GH31 alpha-galactosidase, ...
著者Ikegaya, M, Miyazaki, T.
登録日2023-04-21
公開日2023-07-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
8J53
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BU of 8j53 by Molmil
Crystal structure of Bacteroides salyersiae GH31 alpha-galactosidase
分子名称: GH31 alpha-galactosidase
著者Ikegaya, M, Miyazaki, T.
登録日2023-04-21
公開日2023-07-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Structure-function analysis of bacterial GH31 alpha-galactosidases specific for alpha-(1→4)-galactobiose.
Febs J., 290, 2023
3WAL
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BU of 3wal by Molmil
Crystal structure of human LC3A_2-121
分子名称: D-MALATE, Microtubule-associated proteins 1A/1B light chain 3A
著者Suzuki, H, Tabata, K, Morita, E, Kawasaki, M, Kato, R, Dobson, R.C.J, Yoshimori, T, Wakatsuki, S.
登録日2013-05-06
公開日2013-12-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the autophagy-related LC3/Atg13 LIR complex: recognition and interaction mechanism.
Structure, 22, 2014
1ATI
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BU of 1ati by Molmil
CRYSTAL STRUCTURE OF GLYCYL-TRNA SYNTHETASE FROM THERMUS THERMOPHILUS
分子名称: GLYCYL-TRNA SYNTHETASE, GLYCYL-tRNA SYNTHETASE
著者Logan, D.T, Mazauric, M.-H, Kern, D, Moras, D.
登録日1996-04-23
公開日1997-07-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of glycyl-tRNA synthetase from Thermus thermophilus.
EMBO J., 14, 1995
3O3P
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BU of 3o3p by Molmil
Crystal structure of R. xylanophilus MpgS in complex with GDP-Mannose
分子名称: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ...
著者Macedo-Ribeiro, S, Pereira, P.J.B, Empadinhas, N, da Costa, M.S.
登録日2010-07-25
公開日2010-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.529 Å)
主引用文献Functional and structural characterization of a novel mannosyl-3-phosphoglycerate synthase from Rubrobacter xylanophilus reveals its dual substrate specificity
Mol.Microbiol., 79, 2011

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