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2KXM
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BU of 2kxm by Molmil
Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostmycin complex
Descriptor: RIBOSTAMYCIN, RNA (27-MER)
Authors:Duchardt-Ferner, E, Weigand, J.E, Ohlenschlager, O, Schmidtke, S.R, Suess, B, Wohnert, J.
Deposit date:2010-05-10
Release date:2011-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Highly modular structure and ligand binding by conformational capture in a minimalistic riboswitch.
Angew.Chem.Int.Ed.Engl., 49, 2010
4RME
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BU of 4rme by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB111 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-(propan-2-yl)cyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
4RMD
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BU of 4rmd by Molmil
Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1
Descriptor: (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Xia, G, Muccio, D.D.
Deposit date:2014-10-21
Release date:2015-09-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformationally Defined Rexinoids and Their Efficacy in the Prevention of Mammary Cancers.
J.Med.Chem., 58, 2015
3UKP
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BU of 3ukp by Molmil
Crystal structure of R327A UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDPgalp
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GALACTOSE-URIDINE-5'-DIPHOSPHATE, UDP-galactopyranose mutase
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
3UKH
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BU of 3ukh by Molmil
Crystal structure of udp-galactopyranose mutase from Aspergillus fumigatus in complex with UDPGALP (non-reduced)
Descriptor: CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Van Straaten, K.E, Sanders, D.A.R.
Deposit date:2011-11-09
Release date:2012-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus.
J.Biol.Chem., 287, 2012
4DZH
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BU of 4dzh by Molmil
Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn
Descriptor: AMIDOHYDROLASE, GLYCEROL, MAGNESIUM ION, ...
Authors:Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Raushel, F.M, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-03-01
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Crystal structure of an adenosine deaminase from xanthomonas campestris (target nysgrc-200456) with bound zn
to be published
6AGY
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BU of 6agy by Molmil
Aspergillus fumigatus Af293 NDK
Descriptor: Nucleoside diphosphate kinase
Authors:Hu, Y, Han, L.
Deposit date:2018-08-15
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of crystal structure and key residues of Aspergillus fumigatus nucleoside diphosphate kinase.
Biochem. Biophys. Res. Commun., 511, 2019
7P47
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BU of 7p47 by Molmil
Structure of the E3 ligase Smc5/Nse2 in complex with Ubc9-SUMO thioester mimetic
Descriptor: E3 SUMO-protein ligase MMS21, SUMO-conjugating enzyme UBC9, Structural maintenance of chromosomes protein 5, ...
Authors:Lascorz, J, Varejao, N, Reverter, D.
Deposit date:2021-07-09
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.314 Å)
Cite:Structural basis for the E3 ligase activity enhancement of yeast Nse2 by SUMO-interacting motifs.
Nat Commun, 12, 2021
5SXV
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BU of 5sxv by Molmil
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, Cys-loop ligand-gated ion channel
Authors:Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P.
Deposit date:2016-08-10
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC.
Structure, 25, 2017
4OTI
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BU of 4oti by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib
Descriptor: 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTG
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BU of 4otg by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib
Descriptor: Lestaurtinib, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
2CMN
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BU of 2cmn by Molmil
A Proximal Arginine Residue in the Switching Mechanism of the FixL Oxygen Sensor
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL
Authors:Gilles-Gonzalez, M.-A, Caceres, A.I, Silva Sousa, E.H, Tomchick, D.R, Brautigam, C.A, Gonzalez, C, Machius, M.
Deposit date:2006-05-11
Release date:2007-05-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Proximal Arginine R206 Participates in Switching of the Bradyrhizobium Japonicum Fixl Oxygen Sensor
J.Mol.Biol., 360, 2006
4OTH
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BU of 4oth by Molmil
Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220
Descriptor: BISINDOLYLMALEIMIDE IX, Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
4OTD
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BU of 4otd by Molmil
Crystal Structure of PRK1 Catalytic Domain
Descriptor: Serine/threonine-protein kinase N1
Authors:Chamberlain, P.P, Delker, S, Pagarigan, B, Mahmoudi, A, Jackson, P, Abbassian, M, Muir, J, Raheja, N, Cathers, B.
Deposit date:2014-02-13
Release date:2014-08-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of PRK1 in Complex with the Clinical Compounds Lestaurtinib and Tofacitinib Reveal Ligand Induced Conformational Changes.
Plos One, 9, 2014
5DKA
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BU of 5dka by Molmil
A C2HC zinc finger is essential for the activity of the RING ubiquitin ligase RNF125
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF125, MAGNESIUM ION, ...
Authors:Boer, D.R, Coll, M, Bijlmakers, M.J.
Deposit date:2015-09-03
Release date:2016-07-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A C2HC zinc finger is essential for the RING-E2 interaction of the ubiquitin ligase RNF125.
Sci Rep, 6, 2016
1JNQ
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BU of 1jnq by Molmil
LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC)
Descriptor: 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3
Authors:Zhou, K, Skrzypczak-Jankun, E, Jankun, J.
Deposit date:2001-07-24
Release date:2003-06-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG and shows soybean LOX-3 complex with EGC instead.
INT.J.MOL.MED., 12, 2003
8QFD
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BU of 8qfd by Molmil
UFL1 E3 ligase bound 60S ribosome
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Makhlouf, L, Kulathu, Y, Zeqiraj, E.
Deposit date:2023-09-04
Release date:2024-02-21
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons.
Nature, 627, 2024
3QGE
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BU of 3qge by Molmil
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Descriptor: (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide, RNA-directed RNA polymerase, ...
Authors:Sheriff, S.
Deposit date:2011-01-24
Release date:2011-04-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Investigation of the mode of binding of a novel series of N-benzyl-4-heteroaryl-1-(phenylsulfonyl)piperazine-2-carboxamides to the hepatitis C virus polymerase.
Bioorg.Med.Chem.Lett., 21, 2011
3I5R
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BU of 3i5r by Molmil
PI3K SH3 domain in complex with a peptide ligand
Descriptor: Peptide ligand, Phosphatidylinositol 3-kinase regulatory subunit alpha
Authors:Batra-Safferling, R, Granzin, J, Modder, S, Hoffmann, S, Willbold, D.
Deposit date:2009-07-06
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural studies of the phosphatidylinositol 3-kinase (PI3K) SH3 domain in complex with a peptide ligand: role of the anchor residue in ligand binding.
Biol.Chem., 391, 2010
2C7I
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BU of 2c7i by Molmil
Structure of protein Ta0514, putative lipoate protein ligase from T. acidophilum.
Descriptor: PUTATIVE LIPOATE PROTEIN LIGASE
Authors:Mcmanus, E, Perham, R.N, Luisi, B.F.
Deposit date:2005-11-24
Release date:2005-12-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of a Putative Lipoate Protein Ligase from Thermoplasma Acidophilum and the Mechanism of Target Selection for Post-Translational Modification.
J.Mol.Biol., 356, 2006
2C8M
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BU of 2c8m by Molmil
Structure of protein Ta0514, putative lipoate protein ligase from T. acidophilum with bound lipoic acid
Descriptor: LIPOATE-PROTEIN LIGASE A, LIPOIC ACID
Authors:McManus, E, Perham, R.N, Luisi, B.F.
Deposit date:2005-12-06
Release date:2005-12-15
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure of a Putative Lipoate Protein Ligase from Thermoplasma Acidophilum and the Mechanism of Target Selection for Post-Translational Modification.
J.Mol.Biol., 356, 2006
6OJ1
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BU of 6oj1 by Molmil
Crystal Structure of Aspergillus fumigatus Ega3
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bamford, N.C, Subramanian, A.S, Millan, C, Uson, I, Howell, P.L.
Deposit date:2019-04-10
Release date:2019-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
J.Biol.Chem., 294, 2019
6OJB
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BU of 6ojb by Molmil
Crystal Structure of Aspergillus fumigatus Ega3 complex with galactosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-2-deoxy-alpha-D-galactopyranose, ...
Authors:Bamford, N.C, Howell, P.L.
Deposit date:2019-04-11
Release date:2019-08-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Ega3 from the fungal pathogenAspergillus fumigatusis an endo-alpha-1,4-galactosaminidase that disrupts microbial biofilms.
J.Biol.Chem., 294, 2019
2FN9
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BU of 2fn9 by Molmil
Thermotoga maritima Ribose Binding Protein Unliganded Form
Descriptor: ribose ABC transporter, periplasmic ribose-binding protein
Authors:Cuneo, M.J, Changela, A, Tian, Y, Beese, L.S, Hellinga, H.W.
Deposit date:2006-01-10
Release date:2007-01-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ligand-induced conformational changes in a thermophilic ribose-binding protein.
Bmc Struct.Biol., 8, 2008
6FGA
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BU of 6fga by Molmil
Crystal structure of TRIM21 E3 ligase, RING domain in complex with its cognate E2 conjugating enzyme UBE2E1
Descriptor: E3 ubiquitin-protein ligase TRIM21, GLYCEROL, Ubiquitin-conjugating enzyme E2 E1, ...
Authors:Anandapadamanaban, M, Moche, M, Sunnerhagen, M.
Deposit date:2018-01-10
Release date:2019-06-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:E3 ubiquitin-protein ligase TRIM21-mediated lysine capture by UBE2E1 reveals substrate-targeting mode of a ubiquitin-conjugating E2.
J.Biol.Chem., 294, 2019

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