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2QMG
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BU of 2qmg by Molmil
Structure of BACE Bound to SCH745966
Descriptor: Beta-secretase 1, D(-)-TARTARIC ACID, N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE
Authors:Strickland, C.O, Iserloh, U.
Deposit date:2007-07-16
Release date:2008-03-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
3QC5
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BU of 3qc5 by Molmil
GspB
Descriptor: GLYCEROL, NITROGEN MOLECULE, POTASSIUM ION, ...
Authors:Pyburn, T.M, Iverson, T.M.
Deposit date:2011-01-15
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Structural Model for Binding of the Serine-Rich Repeat Adhesin GspB to Host Carbohydrate Receptors.
Plos Pathog., 7, 2011
2R21
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BU of 2r21 by Molmil
Structure of the RNA brominated tridecamer r(GCGUU-5BUGAAACGC) at 1.6 A (BrMn)
Descriptor: MANGANESE (II) ION, RNA (5'-R(*GP*CP*GP*UP*UP*(5BU)P*GP*AP*AP*AP*CP*GP*C)-3'), SODIUM ION
Authors:Timsit, Y, Bombard, S.
Deposit date:2007-08-24
Release date:2007-09-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:1.3 A resolution Structure of the tridecamer r(GCGUUUGAAACGC)
TO BE PUBLISHED
3GLP
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BU of 3glp by Molmil
1.23 A resolution X-ray structure of (GCUGCUGC)2
Descriptor: 5'-R(*GP*CP*UP*GP*CP*UP*GP*C)-3', GLYCEROL, SULFATE ION
Authors:Kiliszek, A, Kierzek, R, Krzyzosiak, W.J, Rypniewski, W.
Deposit date:2009-03-12
Release date:2009-05-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural insights into CUG repeats containing the 'stretched U-U wobble': implications for myotonic dystrophy.
Nucleic Acids Res., 37, 2009
3WP3
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BU of 3wp3 by Molmil
Xylanase 11C from Talaromyces cellulolyticus (formerly known as Acremonium cellulolyticus)
Descriptor: Endo-1,4-beta-xylanase
Authors:Ishikawa, K, Inoue, H, Kataoka, M.
Deposit date:2014-01-09
Release date:2014-11-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structure of Talaromyces cellulolyticus (formerly known as Acremonium cellulolyticus) GH family 11 xylanase
Appl Biochem Biotechnol., 174, 2014
2R2L
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BU of 2r2l by Molmil
Structure of Farnesyl Protein Transferase bound to PB-93
Descriptor: FARNESYL DIPHOSPHATE, Farnesyltransferase subunit alpha, Farnesyltransferase subunit beta, ...
Authors:Strickland, C.O, Voorhis, W.
Deposit date:2007-08-27
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Efficacy, pharmacokinetics, and metabolism of tetrahydroquinoline inhibitors of Plasmodium falciparum protein farnesyltransferase.
Antimicrob.Agents Chemother., 51, 2007
3WC1
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BU of 3wc1 by Molmil
Crystal structure of C. albicans tRNA(His) guanylyltransferase (Thg1) with a G-1 deleted tRNA(His)
Descriptor: 75-mer tRNA, Likely histidyl tRNA-specific guanylyltransferase
Authors:Nakamura, A, Nemoto, T, Sonoda, T, Yamashita, K, Tanaka, I, Yao, M.
Deposit date:2013-05-24
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.18 Å)
Cite:Structural basis of reverse nucleotide polymerization
Proc.Natl.Acad.Sci.USA, 110, 2013
3H6K
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BU of 3h6k by Molmil
Crystal Structure of Human 11-beta-hydroxysteroid-dehydrogenase Bound to an Ortho-chlro-sulfonyl-piperazine Inhibitor
Descriptor: 3-chloro-4-({(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl}sulfonyl)benzamide, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bard, J, Svenson, K.
Deposit date:2009-04-23
Release date:2009-12-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.
J.Med.Chem., 52, 2009
3WEL
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BU of 3wel by Molmil
Sugar beet alpha-glucosidase with acarviosyl-maltotriose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-glucosidase, GLYCEROL, ...
Authors:Tagami, T, Yamashita, K, Okuyama, M, Mori, H, Yao, M, Kimura, A.
Deposit date:2013-07-08
Release date:2014-07-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural advantage of sugar beet alpha-glucosidase to stabilize the Michaelis complex with long-chain substrate
J.Biol.Chem., 290, 2014
3WVC
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BU of 3wvc by Molmil
Guanylylpyridinol (GP)-bound HcgF from Methanocaldococcus jannaschii
Descriptor: 5'-O-[(R)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine, 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine, SULFATE ION, ...
Authors:Fujishiro, T, Ermler, U, Shima, S.
Deposit date:2014-05-16
Release date:2015-04-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein-pyridinol thioester precursor for biosynthesis of the organometallic acyl-iron ligand in [Fe]-hydrogenase cofactor
Nat Commun, 6, 2015
3HAF
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BU of 3haf by Molmil
Human prion protein variant V129 domain swapped dimer
Descriptor: CADMIUM ION, CHLORIDE ION, Major prion protein
Authors:Lee, S, Antony, L, Hartmann, R, Knaus, K.J, Surewicz, K, Surewicz, W.K, Yee, V.C.
Deposit date:2009-05-01
Release date:2010-01-12
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Conformational diversity in prion protein variants influences intermolecular beta-sheet formation.
Embo J., 29, 2010
3HB7
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BU of 3hb7 by Molmil
The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A
Descriptor: AMMONIUM ION, Isochorismatase hydrolase, SODIUM ION
Authors:Stein, A.J, Xu, X, Cui, H, Ng, J, Edwards, A, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-05-04
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of an Isochorismatase-like Hydrolase from Alkaliphilus metalliredigens to 2.3A
To be Published
2QZO
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BU of 2qzo by Molmil
Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with WAY-169916
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Bruning, J.B, Gil, G, Nowak, J, Katzenellenbogen, J, Nettles, K.W.
Deposit date:2007-08-16
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
2R0S
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BU of 2r0s by Molmil
Crystal Structure of the Rsc4 tandem bromodomain
Descriptor: Chromatin structure-remodeling complex protein RSC4
Authors:VanDemark, A.P, Kasten, M.M, Ferris, E, Heroux, A, Hill, C.P, Cairns, B.R.
Deposit date:2007-08-21
Release date:2007-10-30
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoregulation of the rsc4 tandem bromodomain by gcn5 acetylation.
Mol.Cell, 27, 2007
3WC6
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BU of 3wc6 by Molmil
Carboxypeptidase B in complex with 2nd zinc
Descriptor: ACETATE ION, Carboxypeptidase B, ZINC ION
Authors:Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K.
Deposit date:2013-05-24
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
3WIP
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BU of 3wip by Molmil
Crystal structure of acetylcholine bound to Ls-AChBP
Descriptor: ACETATE ION, ACETYLCHOLINE, Acetylcholine-binding protein, ...
Authors:Olsen, J.A, Balle, T, Gajhede, M, Ahring, P.K, Kastrup, J.S.
Deposit date:2013-09-24
Release date:2014-04-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular recognition of the neurotransmitter acetylcholine by an acetylcholine binding protein reveals determinants of binding to nicotinic acetylcholine receptors
Plos One, 9, 2014
3GVR
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BU of 3gvr by Molmil
Single-chain UROD Y164G (GY) mutation
Descriptor: Uroporphyrinogen decarboxylase
Authors:Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C.
Deposit date:2009-03-31
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate shuttling between active sites of uroporphyrinogen decarboxylase is not required to generate coproporphyrinogen.
J.Mol.Biol., 389, 2009
3WJJ
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BU of 3wjj by Molmil
Crystal structure of IIb selective Fc variant, Fc(P238D), in complex with FcgRIIb
Descriptor: Ig gamma-1 chain C region, Low affinity immunoglobulin gamma Fc region receptor II-b, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Kadono, S, Mimoto, F, Katada, H, Igawa, T, Kuramochi, T, Muraoka, M, Wada, Y, Haraya, K, Miyazaki, T, Hattori, K.
Deposit date:2013-10-10
Release date:2013-11-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineered antibody Fc variant with selectively enhanced Fc gamma RIIb binding over both Fc gamma RIIaR131 and Fc gamma RIIaH131.
Protein Eng.Des.Sel., 26, 2013
3H8Z
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BU of 3h8z by Molmil
The Crystal Structure of the Tudor Domains from FXR2
Descriptor: Fragile X mental retardation syndrome-related protein 2
Authors:Amaya, M.F, Dong, A, Adams-Cioaba, M.A, Guo, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2009-04-29
Release date:2009-06-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
3U3U
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BU of 3u3u by Molmil
Crystal structure of the tablysin-15-leukotriene E4 complex
Descriptor: (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid, CITRIC ACID, PRASEODYMIUM ION, ...
Authors:Andersen, J.F.
Deposit date:2011-10-06
Release date:2012-02-15
Last modified:2015-01-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of protein having inhibitory disintegrin and leukotriene scavenging functions contained in single domain.
J.Biol.Chem., 287, 2012
3GXD
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BU of 3gxd by Molmil
Crystal structure of Apo acid-beta-glucosidase pH 4.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
Authors:Lieberman, R.L.
Deposit date:2009-04-02
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3U50
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BU of 3u50 by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-C
Descriptor: Telomerase-associated protein 82, ZINC ION
Authors:Zeng, Z, Huang, J, Yang, Y, Lei, M.
Deposit date:2011-10-10
Release date:2011-12-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
2QSB
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BU of 2qsb by Molmil
Crystal structure of a protein from uncharacterized family UPF0147 from Thermoplasma acidophilum
Descriptor: SULFATE ION, UPF0147 protein Ta0600
Authors:Cuff, M.E, Duggan, E, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-07-30
Release date:2007-09-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure of a protein from uncharacterized family UPF0147 from Thermoplasma acidophilum.
TO BE PUBLISHED
3GYT
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BU of 3gyt by Molmil
Nuclear receptor DAF-12 from parasitic nematode Strongyloides stercoralis in complex with its physiological ligand dafachronic acid delta 4
Descriptor: (14beta,17alpha,25R)-3-oxocholest-4-en-26-oic acid, Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily, SRC1
Authors:Zhou, X.E, Wang, Z, Suino-Powell, K, Motola, D.L, Conneely, A, Ogata, C, Sharma, K.K, Auchus, R.J, Kliewer, S.A, Xu, H.E, Mangelsdorf, D.J.
Deposit date:2009-04-05
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of the nuclear receptor DAF-12 as a therapeutic target in parasitic nematodes.
Proc.Natl.Acad.Sci.USA, 106, 2009
2R4R
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BU of 2r4r by Molmil
Crystal structure of the human beta2 adrenoceptor
Descriptor: Beta-2 adrenergic receptor, antibody for beta2 adrenoceptor, heavy chain, ...
Authors:Rasmussen, S.G.F, Choi, H.J, Rosenbaum, D.M, Kobilka, T.S, Thian, F.S, Edwards, P.C, Burghammer, M, Ratnala, V.R, Sanishvili, R, Fischetti, R.F, Schertler, G.F, Weis, W.I, Kobilka, B.K.
Deposit date:2007-08-31
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the human beta2 adrenergic G-protein-coupled receptor.
Nature, 450, 2007

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