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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
Descriptor: Fab 2219, heavy chain, light chain, ...
Authors:Stanfield, R.L, Gorny, M.K, Zolla-Pazner, S, Wilson, I.A.
Deposit date:2005-09-15
Release date:2006-07-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.348 Å)
Cite: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)
Descriptor: Uncharacterized protein, V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit A, V-type proton ATPase subunit B, ...
Authors:Zhao, J.
Deposit date:2017-05-03
Release date:2017-06-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCINE, PHOSPHATE ION, ...
Authors:Wang, S.
Deposit date:2007-04-23
Release date:2008-02-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.779 Å)
Cite: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
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, P-HYDROXYBENZOATE HYDROXYLASE, P-HYDROXYBENZOIC ACID
Authors:Van Derlaan, J.M, Drenth, J, Hol, W.G.J.
Deposit date:1989-06-19
Release date:1990-10-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1-DEOXYNOJIRIMYCIN, CALCIUM ION, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tankrathok, A, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-08
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite: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)
Descriptor: (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, ...
Authors:Bedi, R.K, Huang, D, Sledz, P, Caflisch, A.
Deposit date:2019-12-30
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, RNA (5'-R(*(0C)P*(0C)P*(0G)P*(0C)P*(0C)P*(0U)P*(0G)P*(0G))-3'), ...
Authors:Rypniewski, W, Vallazza, M, Perbandt, M, Klussmann, S, Betzel, C, Erdmann, V.A.
Deposit date:2006-02-17
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, F420-0:gamma-glutamyl ligase, ...
Authors:Nocek, B, Evdokimova, E, Kudritska, M, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-04-11
Release date:2007-05-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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.
Descriptor: 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
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-12
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: CHLORIDE ION, Glycerol-3-phosphate dehydrogenase 1-like protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors: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)
Deposit date:2007-04-19
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.51 Å)
Cite: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
Descriptor: 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, ...
Authors:Wolters, S, Heine, A, Petersen, M.
Deposit date:2012-04-26
Release date:2013-05-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.015 Å)
Cite: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
Descriptor: 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2017-06-06
Release date:2018-12-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT, aldose reductase
Authors:Steuber, H, Zentgraf, M, Gerlach, C, Sotriffer, C.A, Heine, A, Klebe, G.
Deposit date:2006-02-09
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Charoenwattanasatien, R, Pengthaisong, S, Sansenya, S, Mutoh, R, Tanaka, H, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-06-05
Release date:2016-05-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ...
Authors:Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M.
Deposit date:2010-02-02
Release date:2010-03-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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+
Descriptor: Alpha-aminoadipic semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TETRAETHYLENE GLYCOL
Authors:Luo, M, Tanner, J.J.
Deposit date:2015-05-16
Release date:2015-08-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis of Substrate Recognition by Aldehyde Dehydrogenase 7A1.
Biochemistry, 54, 2015
2PS7
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BU of 2ps7 by Molmil
Y295F trichodiene synthase
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Trichodiene synthase
Authors:Vedula, L.S, Cane, D.E, Christianson, D.W.
Deposit date:2007-05-04
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: Alpha-enolase, MAGNESIUM ION, PHOSPHATE ION
Authors:Hyo, J.K, Seung, J.K, Sang, J.C.
Deposit date:2007-05-07
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Enolase, SULFATE ION, ...
Authors:Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
Deposit date:2007-05-08
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 2yga by Molmil
E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin
Descriptor: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN
Authors:Roe, S.M, Prodromou, C, Pearl, L.H.
Deposit date:2011-04-12
Release date:2011-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.37 Å)
Cite: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.
Descriptor: 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
Authors:Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
Deposit date:2019-12-18
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite: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
Descriptor: DnmZ
Authors:Sartor, L.M, Vey, J.L.
Deposit date:2015-05-20
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION
Authors:Cheng, X.
Deposit date:2007-05-09
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.69 Å)
Cite:DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA.
Nature, 448, 2007
2JZT
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BU of 2jzt by Molmil
Solution NMR structure of Q8ZP25_SALTY from Salmonella typhimurium. Northeast Structural Genomics Consortium target StR70
Descriptor: Putative thiol-disulfide isomerase and thioredoxin
Authors: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)
Deposit date:2008-01-16
Release date:2008-02-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite: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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