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2B1A
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BU of 2b1a by Molmil
Crystal structure analysis of anti-HIV-1 V3 Fab 2219 in complex with UG1033 peptide
分子名称: Fab 2219, heavy chain, light chain, ...
著者Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A.
登録日2005-09-15
公開日2006-07-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Crystal structures of human immunodeficiency virus type 1 (HIV-1) neutralizing antibody 2219 in complex with three different V3 peptides reveal a new binding mode for HIV-1 cross-reactivity.
J.Virol., 80, 2006
5VOZ
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BU of 5voz by Molmil
Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 3)
分子名称: Uncharacterized protein, V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, ...
著者Zhao, J.
登録日2017-05-03
公開日2017-06-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Molecular basis for the binding and modulation of V-ATPase by a bacterial effector protein.
PLoS Pathog., 13, 2017
2PMU
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BU of 2pmu by Molmil
Crystal structure of the DNA-binding domain of PhoP
分子名称: CHLORIDE ION, GLYCINE, PHOSPHATE ION, ...
著者Wang, S.
登録日2007-04-23
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.779 Å)
主引用文献Structure of the DNA-binding domain of the response regulator PhoP from Mycobacterium tuberculosis
Biochemistry, 46, 2007
2PHH
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BU of 2phh by Molmil
THE COENZYME ANALOGUE ADENOSINE 5-DIPHOSPHORIBOSE DISPLACES FAD IN THE ACTIVE SITE OF P-HYDROXYBENZOATE HYDROXYLASE. AN X-RAY CRYSTALLOGRAPHIC INVESTIGATION
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
著者Van Derlaan, J.M, Drenth, J, Hol, W.G.J.
登録日1989-06-19
公開日1990-10-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The coenzyme analogue adenosine 5-diphosphoribose displaces FAD in the active site of p-hydroxybenzoate hydroxylase. An x-ray crystallographic investigation.
Biochemistry, 28, 1989
5BX3
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BU of 5bx3 by Molmil
Crystal structure of Thermoanaerobacterium xylanolyticum GH116 beta-glucosidase with deoxynojirimycin
分子名称: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ...
著者Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
登録日2015-06-08
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2)
Acs Chem.Biol., 11, 2016
6TTT
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BU of 6ttt by Molmil
Crystal structure of the human METTL3-METTL14 complex bound to Compound 2 (ASI_M3M_140)
分子名称: (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ...
著者Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
登録日2019-12-30
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
2G32
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BU of 2g32 by Molmil
Crystal structure of an RNA racemate
分子名称: CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ...
著者Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A.
登録日2006-02-17
公開日2006-05-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献The first crystal structure of an RNA racemate.
Acta Crystallogr.,Sect.D, 62, 2006
2PHN
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BU of 2phn by Molmil
Crystal structure of an amide bond forming F420-gamma glutamyl ligase from Archaeoglobus fulgidus
分子名称: 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ...
著者Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-04-11
公開日2007-05-15
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of an Amide Bond Forming F(420):gammagamma-glutamyl Ligase from Archaeoglobus Fulgidus - A Member of a New Family of Non-ribosomal Peptide Synthases.
J.Mol.Biol., 372, 2007
6TOW
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BU of 6tow by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with xylotetraose.
分子名称: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-12
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
2PLA
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BU of 2pla by Molmil
Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein
分子名称: CHLORIDE ION, Glycerol-3-phosphate dehydrogenase 1-like protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Uppenberg, J, Smee, C, Hozjan, V, Kavanagh, K, Bunkoczi, G, Papagrigoriou, E, Pike, A.C.W, Ugochukwu, E, Umeano, C, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2007-04-19
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Crystal structure of human glycerol-3-phosphate dehydrogenase 1-like protein.
To be Published
4EVI
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BU of 4evi by Molmil
Crystal Structure Analysis of Coniferyl Alcohol 9-O-Methyltransferase from Linum Nodiflorum in Complex with Coniferyl Alcohol 9-Methyl Ether and S -Adenosyl-L-Homocysteine
分子名称: 2-methoxy-4-[(1E)-3-methoxyprop-1-en-1-yl]phenol, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, Coniferyl alcohol 9-O-methyltransferase, ...
著者Wolters, S, Heine, A, Petersen, M.
登録日2012-04-26
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.015 Å)
主引用文献Structural analysis of coniferyl alcohol 9-O-methyltransferase from Linum nodiflorum reveals a novel active-site environment.
Acta Crystallogr.,Sect.D, 69, 2013
5W2Q
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BU of 5w2q by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
著者Capodagli, G.C, Neiditch, M.B.
登録日2017-06-06
公開日2018-12-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
2FZB
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BU of 2fzb by Molmil
Human Aldose Reductase complexed with four tolrestat molecules at 1.5 A resolution.
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase
著者Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
登録日2006-02-09
公開日2006-10-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions.
J.Mol.Biol., 363, 2006
5BVU
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BU of 5bvu by Molmil
Crystal structure of Thermoanaerobacterium xylolyticum GH116 beta-glucosidase
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
登録日2015-06-05
公開日2016-05-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Bacterial beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (GBA2).
Acs Chem.Biol., 11, 2016
2X4U
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BU of 2x4u by Molmil
Crystal structure of MHC CLass I HLA-A2.1 bound to HIV-1 Peptide RT468-476
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
著者Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
登録日2010-02-02
公開日2010-03-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals.
J.Am.Chem.Soc., 131, 2009
4ZUK
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BU of 4zuk by Molmil
Structure ALDH7A1 complexed with NAD+
分子名称: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TETRAETHYLENE GLYCOL
著者Luo, M, Tanner, J.J.
登録日2015-05-16
公開日2015-08-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
2PS7
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Y295F trichodiene synthase
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase
著者Vedula, L.S, Cane, D.E, Christianson, D.W.
登録日2007-05-04
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and mechanistic analysis of trichodiene synthase using site-directed mutagenesis: probing the catalytic function of tyrosine-295 and the asparagine-225/serine-229/glutamate-233-Mg2+B motif.
Arch.Biochem.Biophys., 469, 2008
2PSN
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BU of 2psn by Molmil
Crystal structure of enolase1
分子名称: Alpha-enolase, MAGNESIUM ION, PHOSPHATE ION
著者Hyo, J.K, Seung, J.K, Sang, J.C.
登録日2007-05-07
公開日2008-05-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of Enolase1 alpha
To be Published
2PTW
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BU of 2ptw by Molmil
Crystal Structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV
分子名称: 1,2-ETHANEDIOL, Enolase, SULFATE ION, ...
著者Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
登録日2007-05-08
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
4ZW3
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BU of 4zw3 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9b
分子名称: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
2YGA
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E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin
分子名称: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-04-12
公開日2011-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
6TRH
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BU of 6trh by Molmil
Structure of E70A mutant of Rex8A from Paenibacillus barcinonensis complexed with 3(3)-alpha-L-arabinofuranosyl-xylotetraose.
分子名称: Reducing-end xylose-releasing exo-oligoxylanase Rex8A, alpha-L-arabinofuranose-(1-3)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-12-18
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
4ZXV
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BU of 4zxv by Molmil
Streptomyces peucetius nitrososynthase DnmZ in ligand-free state
分子名称: DnmZ
著者Sartor, L.M, Vey, J.L.
登録日2015-05-20
公開日2015-10-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of DnmZ, a nitrososynthase in the Streptomyces peucetius anthracycline biosynthetic pathway.
Acta Crystallogr F Struct Biol Commun, 71, 2015
2PVC
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BU of 2pvc by Molmil
DNMT3L recognizes unmethylated histone H3 lysine 4
分子名称: DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION
著者Cheng, X.
登録日2007-05-09
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
2JZT
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Solution NMR structure of Q8ZP25_SALTY from Salmonella typhimurium. Northeast Structural Genomics Consortium target StR70
分子名称: Putative thiol-disulfide isomerase and thioredoxin
著者Parish, D, Liu, G, Shen, Y, Ho, C, Cunningham, K, Xiao, R, Swapna, G.V.T, Acton, T, Bansal, S, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-16
公開日2008-02-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Protein chaperones Q8ZP25_SALTY from Salmonella typhimurium and HYAE_ECOLI from Escherichia coli exhibit thioredoxin-like structures despite lack of canonical thioredoxin active site sequence motif.
J.STRUCT.FUNCT.GENOM., 9, 2008

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