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3AXM
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BU of 3axm by Molmil
Structure of rice Rubisco in complex with 6PG
Descriptor: 6-PHOSPHOGLUCONIC ACID, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ...
Authors:Matsumura, H, Mizohata, E, Ishida, H, Kogami, A, Ueno, T, Makino, A, Inoue, T, Yokota, A, Mae, T, Kai, Y.
Deposit date:2011-04-11
Release date:2012-04-11
Last modified:2013-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of rice Rubisco and implications for activation induced by positive effectors NADPH and 6-phosphogluconate
J.Mol.Biol., 422, 2012
5VC3
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BU of 5vc3 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH BOSUTINIB
Descriptor: 1,2-ETHANEDIOL, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile, CHLORIDE ION, ...
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-03-30
Release date:2017-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.
J. Med. Chem., 60, 2017
7YKE
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BU of 7yke by Molmil
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 4,6-sulfate
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, Chondroitin sulfate ABC endolyase, MAGNESIUM ION
Authors:Takashima, M, Watanabe, I, Miyanaga, A, Eguchi, T.
Deposit date:2022-07-22
Release date:2022-11-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Biochemical and crystallographic assessments of the effect of 4,6-O-disulfated disaccharide moieties in chondroitin sulfate E on chondroitinase ABC I activity.
Febs J., 290, 2023
1ZV9
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BU of 1zv9 by Molmil
Crystal structure analysis of a type II cohesin domain from the cellulosome of Acetivibrio cellulolyticus- SeMet derivative
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, ACETIC ACID, ...
Authors:Noach, I, Rosenheck, S, Lamed, R, Shimon, L, Bayer, E, Frolow, F.
Deposit date:2005-06-01
Release date:2006-06-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Intermodular linker flexibility revealed from crystal structures of adjacent cellulosomal cohesins of Acetivibrio cellulolyticus.
J.Mol.Biol., 391, 2009
5GRK
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BU of 5grk by Molmil
Crystal structure of Uracil DNA glycosylase -Xanthine complex from Bradyrhizobium diazoefficiens
Descriptor: Blr0248 protein, XANTHINE
Authors:Patil, V.V, Ullas, V.C, Ahn, W, Varshney, U, Woo, E.
Deposit date:2016-08-11
Release date:2017-05-03
Last modified:2017-06-14
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Uracil DNA glycosylase (UDG) activities in Bradyrhizobium diazoefficiens: characterization of a new class of UDG with broad substrate specificity
Nucleic Acids Res., 45, 2017
2Q08
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BU of 2q08 by Molmil
Crystal structure of the protein BH0493 from Bacillus halodurans C-125 complexed with ZN
Descriptor: BH0493 protein, ZINC ION
Authors:Fedorov, A.A, Fedorov, E.V, Patskovsky, Y, Sauder, J.M, Burley, S.K, Raushel, F, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-05-21
Release date:2007-06-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Glucoronate Isomerase from Bacillus halodurans.
To be Published
2CLR
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BU of 2clr by Molmil
THREE DIMENSIONAL STRUCTURE OF A PEPTIDE EXTENDING OUT ONE END OF A CLASS I MHC BINDING SITE
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A 0201) (ALPHA CHAIN), DECAMERIC PEPTIDE FROM CALRETICULIN
Authors:Collins, E.J, Garboczi, D.N, Wiley, D.C.
Deposit date:1994-08-01
Release date:1995-03-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of a peptide extending from one end of a class I MHC binding site.
Nature, 371, 1994
2Q3H
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BU of 2q3h by Molmil
The crystal structure of RhouA in the GDP-bound state.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras homolog gene family, ...
Authors:Gileadi, C, Yang, X, Papagrigoriou, E, Elkins, J, Zhao, Y, Bray, J, Gileadi, O, Umeano, C, Ugochukwu, E, Uppenberg, J, Bunkoczi, G, von Delft, F, Pike, A.C.W, Phillips, C, Savitsky, P, Fedorov, O, Edwards, A, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The crystal structure of RhouA in the GDP-bound state.
To be Published
2Q3R
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BU of 2q3r by Molmil
Ensemble refinement of the protein crystal structure of At1g76680 from Arabidopsis thaliana
Descriptor: 12-oxophytodienoate reductase 1, FLAVIN MONONUCLEOTIDE
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-30
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2Q4F
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BU of 2q4f by Molmil
Ensemble refinement of the crystal structure of putative histidine-containing phosphotransfer protein from rice, Ak104879
Descriptor: Histidine-containing phosphotransfer protein 1
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2Q4M
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BU of 2q4m by Molmil
Ensemble refinement of the crystal structure of protein from Arabidopsis thaliana At5g01750
Descriptor: 1,2-ETHANEDIOL, Protein At5g01750
Authors:Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2007-05-31
Release date:2007-06-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
3H3U
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BU of 3h3u by Molmil
Crystal structure of CRP (cAMP receptor Protein) from Mycobacterium tuberculosis
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY CRP/FNR-FAMILY), SULFATE ION
Authors:Kumar, P, Joshi, D.C, Akif, M, Akhter, Y, Hasnain, S.E, Mande, S.C.
Deposit date:2009-04-17
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mapping conformational transitions in cyclic AMP receptor protein: crystal structure and normal-mode analysis of Mycobacterium tuberculosis apo-cAMP receptor protein
Biophys.J., 98, 2010
4K84
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BU of 4k84 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 16:0 ceramide-1-phosphate (16:0-C1P)
Descriptor: (2S,3R,4E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-17
Release date:2013-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
4KT2
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BU of 4kt2 by Molmil
Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
Descriptor: CHLORIDE ION, D-mannonate dehydratase, GLYCEROL, ...
Authors:Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
Deposit date:2013-05-19
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystal structure of d-mannonate dehydratase from chromohalobacter salexigens complexed with mg and glycerol
To be Published
1PZI
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BU of 1pzi by Molmil
Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a
Descriptor: Heat-labile Enterotoxin B subunit, N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE
Authors:Mitchell, D.D, Pickens, J.C, Korotkov, K, Fan, E, Hol, W.G.J.
Deposit date:2003-07-11
Release date:2004-03-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:3,5-Substituted phenyl galactosides as leads in designing effective cholera toxin antagonists; synthesis and crystallographic studies
Bioorg.Med.Chem., 12, 2004
2Q9F
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BU of 2q9f by Molmil
Crystal structure of human cytochrome P450 46A1 in complex with cholesterol-3-sulphate
Descriptor: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Cytochrome P450 46A1, GLYCEROL, ...
Authors:White, M.A, Mast, N.V, Johnson, E.F, Stout, C.D, Pikuleva, I.A.
Deposit date:2007-06-12
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of substrate-bound and substrate-free cytochrome P450 46A1, the principal cholesterol hydroxylase in the brain.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3WSA
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BU of 3wsa by Molmil
The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
Descriptor: N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine, Squalene synthase
Authors:Shang, N, Li, Q, Huang, C.H, Oldfield, E, Guo, R.T.
Deposit date:2014-03-05
Release date:2015-04-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:SQ109, a new drug lead for Chagas disease.
Antimicrob.Agents Chemother., 59, 2015
2PLD
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BU of 2pld by Molmil
NUCLEAR MAGNETIC RESONANCE STRUCTURE OF AN SH2 DOMAIN OF PHOSPHOLIPASE C-GAMMA1 COMPLEXED WITH A HIGH AFFINITY BINDING PEPTIDE
Descriptor: PHOSPHOLIPASE C GAMMA-1, C-TERMINAL SH2 DOMAIN, PHOSPHOPEPTIDE FROM PDGF
Authors:Pascal, S.M, Singer, A.U, Gish, G, Yamazaki, T, Shoelson, S.E, Pawson, T, Kay, L.E, Forman-Kay, J.D.
Deposit date:1994-08-19
Release date:1995-01-26
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance structure of an SH2 domain of phospholipase C-gamma 1 complexed with a high affinity binding peptide.
Cell(Cambridge,Mass.), 77, 1994
5VXX
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BU of 5vxx by Molmil
Cryo-EM reconstruction of Neisseria gonorrhoeae Type IV pilus
Descriptor: Fimbrial protein, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, alpha-D-galactopyranose-(1-3)-2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose
Authors:Wang, F, Orlova, A, Altindal, T, Craig, L, Egelman, E.H.
Deposit date:2017-05-24
Release date:2017-07-12
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.1 Å)
Cite:Cryoelectron Microscopy Reconstructions of the Pseudomonas aeruginosa and Neisseria gonorrhoeae Type IV Pili at Sub-nanometer Resolution.
Structure, 25, 2017
6D22
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BU of 6d22 by Molmil
Crystal structure of Tyrosine-protein kinase receptor
Descriptor: Tyrosine-protein kinase receptor
Authors:Greasley, S.E, Brown, D.
Deposit date:2018-04-12
Release date:2018-05-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.
J. Med. Chem., 62, 2019
1SZX
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BU of 1szx by Molmil
Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase
Descriptor: MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial
Authors:Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N.
Deposit date:2004-04-06
Release date:2004-04-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Role of hydrogen bonding in the active site of human manganese superoxide dismutase.
Biochemistry, 43, 2004
5W57
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BU of 5w57 by Molmil
Structure of Holo AztC
Descriptor: Periplasmic solute binding protein, ZINC ION
Authors:Avalos, D, Yukl, E.T.
Deposit date:2017-06-14
Release date:2017-09-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
4JCR
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BU of 4jcr by Molmil
ClpP1 N165D mutant from Listeria monocytogenes
Descriptor: ATP-dependent Clp protease proteolytic subunit
Authors:Zeiler, E, List, A, Alte, F, Gersch, M, Wachtel, R, Groll, M, Sieber, S.
Deposit date:2013-02-22
Release date:2013-06-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional insights into caseinolytic proteases reveal an unprecedented regulation principle of their catalytic triad.
Proc.Natl.Acad.Sci.USA, 110, 2013
5W5F
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BU of 5w5f by Molmil
Cryo-EM structure of the T4 tail tube
Descriptor: Tail tube protein gp19
Authors:Zheng, W, Wang, F, Taylor, N.M, Guerrero-Ferreira, R.C, Leiman, P.G, Egelman, E.H.
Deposit date:2017-06-15
Release date:2017-08-16
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Refined Cryo-EM Structure of the T4 Tail Tube: Exploring the Lowest Dose Limit.
Structure, 25, 2017
7LMK
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BU of 7lmk by Molmil
Crystal structure of bovine DNMT1 BAH1 domain in complex with H4K20me3
Descriptor: DNA (cytosine-5)-methyltransferase 1, Histone H4, ZINC ION
Authors:Ren, W, Song, J.
Deposit date:2021-02-05
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.647 Å)
Cite:DNMT1 reads heterochromatic H4K20me3 to reinforce LINE-1 DNA methylation.
Nat Commun, 12, 2021

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