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3FU7
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BU of 3fu7 by Molmil
Melanocarpus albomyces laccase crystal soaked (4 sec) with 2,6-dimethoxyphenol
Descriptor: 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kallio, J.P, Hakulinen, N, Rouvinen, J.
Deposit date:2009-01-14
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure Function Studies of a Melanocarpus albomyces Laccase Suggest a Pathway for Oxidation of Phenolic Compounds.
J.Mol.Biol., 392, 2009
3FYC
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BU of 3fyc by Molmil
Crystal Structure of Dim1 from the thermophilic archeon, Methanocaldococcus jannaschi
Descriptor: PHOSPHATE ION, Probable dimethyladenosine transferase
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-01-22
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and functional divergence within the Dim1/KsgA family of rRNA methyltransferases.
J.Mol.Biol., 391, 2009
3G08
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BU of 3g08 by Molmil
Crystal structure of the alpha-galactosylceramide analog OCH in complex with mouse CD1d
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2 microglobulin, ...
Authors:Zajonc, D.M.
Deposit date:2009-01-27
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanisms for glycolipid antigen-driven cytokine polarization by Valpha14i NKT cells.
J.Immunol., 184, 2010
3G86
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BU of 3g86 by Molmil
Hepatitis C virus polymerase NS5B (BK 1-570) with thiazine inhibitor
Descriptor: N-{3-[6-fluoro-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]-1,1-dioxido-4H-1,4-benzothiazin-7-yl}methanesulfonamide, NICKEL (II) ION, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2009-02-11
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Non-nucleoside inhibitors of HCV polymerase NS5B. Part 2: Synthesis and structure-activity relationships of benzothiazine-substituted quinolinediones
Bioorg.Med.Chem.Lett., 19, 2009
3H7F
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BU of 3h7f by Molmil
Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, Serine hydroxymethyltransferase 1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-04-24
Release date:2009-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-04
Release date:2010-05-26
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
1EBC
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BU of 1ebc by Molmil
SPERM WHALE MET-MYOGLOBIN:CYANIDE COMPLEX
Descriptor: CYANIDE ION, PROTEIN (MYOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Rosano, C, Ascenzi, P, Rizzi, M, Losso, R, Bolognesi, M.
Deposit date:1999-03-04
Release date:1999-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyanide binding to Lucina pectinata hemoglobin I and to sperm whale myoglobin: an x-ray crystallographic study.
Biophys.J., 77, 1999
6X19
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BU of 6x19 by Molmil
Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor
Descriptor: 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Zhang, X, Danev, R.
Deposit date:2020-05-18
Release date:2020-09-09
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
3GWA
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BU of 3gwa by Molmil
1.6 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase III
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3H5J
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BU of 3h5j by Molmil
LeuD_1-168 small subunit of isopropylmalate isomerase (Rv2987c) from mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 3-isopropylmalate dehydratase small subunit, SULFATE ION
Authors:Manikandan, K, Geerlof, A, Weiss, M.S.
Deposit date:2009-04-22
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural studies on the enzyme complex isopropylmalate isomerase (LeuCD) from Mycobacterium tuberculosis
Proteins, 79, 2011
3IIY
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BU of 3iiy by Molmil
Crystal structure of Eed in complex with a trimethylated histone H1K26 peptide
Descriptor: Histone H1K26 peptide, Polycomb protein EED
Authors:Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
Deposit date:2009-08-03
Release date:2009-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3IML
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BU of 3iml by Molmil
Crystal Structure Of S-Adenosylmethionine Synthetase From Burkholderia Pseudomallei
Descriptor: S-adenosylmethionine synthetase
Authors:Staker, B.L, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-08-10
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
6X18
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BU of 6x18 by Molmil
GLP-1 peptide hormone bound to Glucagon-Like peptide-1 (GLP-1) Receptor
Descriptor: Glucagon, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Belousoff, M.J, Zhang, X, Danev, R.
Deposit date:2020-05-18
Release date:2020-09-09
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists.
Mol.Cell, 80, 2020
3R9P
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BU of 3r9p by Molmil
Crystal structure of AckA from Mycobacterium paratuberculosis ATCC BAA-968 / K-10
Descriptor: 1,2-ETHANEDIOL, AckA, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-25
Release date:2011-05-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3I9G
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BU of 3i9g by Molmil
Crystal structure of the LT1009 (SONEPCIZUMAB) antibody Fab fragment in complex with sphingosine-1-phosphate
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, CALCIUM ION, MAGNESIUM ION, ...
Authors:Huxford, T.
Deposit date:2009-07-10
Release date:2009-09-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The crystal structure of sphingosine-1-phosphate in complex with a Fab fragment reveals metal bridging of an antibody and its antigen.
Proc.Natl.Acad.Sci.USA, 106, 2009
3P85
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BU of 3p85 by Molmil
Crystal structure enoyl-coa hydratase from mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CACODYLATE ION, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-10-13
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3IIW
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BU of 3iiw by Molmil
Crystal structure of Eed in complex with a trimethylated histone H3K27 peptide
Descriptor: Histone H3 peptide, Polycomb protein EED
Authors:Justin, N, Sharpe, M.L, Martin, S, Taylor, W.R, De Marco, V, Gamblin, S.J.
Deposit date:2009-08-03
Release date:2009-09-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of the polycomb protein EED in the propagation of repressive histone marks.
Nature, 461, 2009
3G81
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BU of 3g81 by Molmil
Crystal structure of the trimeric neck and carbohydrate recognition domain of human surfactant protein D in complex with alpha methyl mannoside
Descriptor: CALCIUM ION, Pulmonary surfactant-associated protein D, methyl alpha-D-mannopyranoside
Authors:Head, J.F.
Deposit date:2009-02-11
Release date:2009-03-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Recognition of mannosylated ligands and influenza A virus by human surfactant protein D: contributions of an extended site and residue 343.
Biochemistry, 48, 2009
1D7O
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BU of 1d7o by Molmil
CRYSTAL STRUCTURE OF BRASSICA NAPUS ENOYL ACYL CARRIER PROTEIN REDUCTASE COMPLEXED WITH NAD AND TRICLOSAN
Descriptor: ENOYL-[ACYL-CARRIER PROTEIN] REDUCTASE (NADH) PRECURSOR, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
Authors:Roujeinikova, A, Levy, C, Rowsell, S, Sedelnikova, S, Baker, P.J, Minshull, C.A, Mistry, A, Colls, J.G, Camble, R, Stuitje, A.R, Slabas, A.R, Rafferty, J.B, Pauptit, R.A, Viner, R, Rice, D.W.
Deposit date:1999-10-19
Release date:1999-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of triclosan bound to enoyl reductase.
J.Mol.Biol., 294, 1999
6S9D
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BU of 6s9d by Molmil
EGFR-KINASE IN COMPLEX WITH COMPOUND 6
Descriptor: 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one, DIMETHYL SULFOXIDE, Epidermal growth factor receptor
Authors:Bader, G.
Deposit date:2019-07-12
Release date:2019-11-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Start Selective and Rigidify: The Discovery Path toward a Next Generation of EGFR Tyrosine Kinase Inhibitors.
J.Med.Chem., 62, 2019
3R9S
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BU of 3r9s by Molmil
Structure of a carnitinyl-CoA dehydratase from Mycobacterium avium 104
Descriptor: 1,2-ETHANEDIOL, BENZOIC ACID, Carnitinyl-CoA dehydratase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-03-25
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3RD8
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BU of 3rd8 by Molmil
Crystal structure of fumarate hydratase class II Mycobacterium smegmatis
Descriptor: Fumarate hydratase class II
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-04-01
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3GW0
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BU of 3gw0 by Molmil
UROD mutant G318R
Descriptor: Uroporphyrinogen decarboxylase
Authors:Hill, C.P, Phillips, J.D, Whitby, F.G, Warby, C, Kushner, J.P.
Deposit date:2009-03-31
Release date:2009-07-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and kinetic characterization of mutant human uroporphyrinogen decarboxylases.
Cell Mol Biol (Noisy-le-grand), 55, 2009
7CBD
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BU of 7cbd by Molmil
Catalytic domain of Cellulomonas fimi Cel6B
Descriptor: Exoglucanase A
Authors:Nakamura, A, Ishiwata, D, Visootsat, A, Uchiyama, T, Mizutani, K, Kaneko, S, Murata, T, Igarashi, K, Iino, R.
Deposit date:2020-06-12
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Domain architecture divergence leads to functional divergence in binding and catalytic domains of bacterial and fungal cellobiohydrolases.
J.Biol.Chem., 295, 2020

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