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5JOX
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BU of 5jox by Molmil
Bacteroides ovatus Xyloglucan PUL GH43A in complex with AraDNJ
Descriptor: 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, Non-reducing end alpha-L-arabinofuranosidase BoGH43A
Authors:Thompson, A.J, Hemsworth, G.R, Stepper, J, Sobala, L.F, Coyle, T, Larsbrink, J, Spadiut, O, Stubbs, K.A, Brumer, H, Davies, G.J.
Deposit date:2016-05-03
Release date:2016-08-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural dissection of a complex Bacteroides ovatus gene locus conferring xyloglucan metabolism in the human gut.
Open Biology, 6, 2016
1RWP
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BU of 1rwp by Molmil
Crystal structure of human caspase-1 in complex with 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyric acid
Descriptor: 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1BSC
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BU of 1bsc by Molmil
CRYSTAL STRUCTURAL ANALYSIS OF MUTATIONS IN THE HYDROPHOBIC CORES OF BARNASE
Descriptor: BARNASE
Authors:Buckle, A.M, Henrick, K, Fersht, A.R.
Deposit date:1993-07-19
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structural analysis of mutations in the hydrophobic cores of barnase.
J.Mol.Biol., 234, 1993
1RWX
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BU of 1rwx by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
Descriptor: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
1BSX
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BU of 1bsx by Molmil
STRUCTURE AND SPECIFICITY OF NUCLEAR RECEPTOR-COACTIVATOR INTERACTIONS
Descriptor: 3,5,3'TRIIODOTHYRONINE, PROTEIN (GRIP1), PROTEIN (THYROID HORMONE RECEPTOR BETA)
Authors:Wagner, R.L, Darimont, B.D, Apriletti, J.W, Stallcup, M.R, Kushner, P.J, Baxter, J.D, Fletterick, R.J, Yamamoto, K.R.
Deposit date:1998-08-31
Release date:1999-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure and specificity of nuclear receptor-coactivator interactions.
Genes Dev., 12, 1998
3K7G
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BU of 3k7g by Molmil
Crystal structure of the Indian Hedgehog N-terminal signalling domain
Descriptor: GLYCEROL, Indian hedgehog protein, SULFATE ION, ...
Authors:He, Y.-X, Kang, Y, Zhang, W.J, Yu, J, Ma, G, Zhou, C.-Z.
Deposit date:2009-10-13
Release date:2011-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Indian Hedgehog N-terminal signalling domain
To be Published
1S7Q
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BU of 1s7q by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Kb in complex with LCMV-derived gp33 index peptide and three of its escape variants
Descriptor: Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A.
Deposit date:2004-01-30
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
1RZT
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BU of 1rzt by Molmil
Crystal structure of DNA polymerase lambda complexed with a two nucleotide gap DNA molecule
Descriptor: 1,2-ETHANEDIOL, 5'-D(*CP*GP*GP*CP*AP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*G)-3', ...
Authors:Pedersen, L.C, Garcia-Diaz, M, Bebenek, K, Krahn, J.M, Blanco, L, Kunkel, T.A.
Deposit date:2003-12-29
Release date:2004-03-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural solution for the DNA polymerase lambda-dependent repair of DNA gaps with minimal homology.
Mol.Cell, 13, 2004
1S7X
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BU of 1s7x by Molmil
Crystal structures of the murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 index peptide and three of its escape variants
Descriptor: Beta-2-microglobulin, Glycoprotein 9-residue peptide, H-2 class I histocompatibility antigen, ...
Authors:Velloso, L.M, Michaelsson, J, Ljunggren, H.G, Schneider, G, Achour, A.
Deposit date:2004-01-30
Release date:2004-05-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Determination of structural principles underlying three different modes of lymphocytic choriomeningitis virus escape from CTL recognition.
J.Immunol., 172, 2004
5SVN
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BU of 5svn by Molmil
Structure of IDH2 mutant R172K
Descriptor: DI(HYDROXYETHYL)ETHER, Isocitrate dehydrogenase [NADP], mitochondrial, ...
Authors:Xie, X, Kulathila, R.
Deposit date:2016-08-06
Release date:2017-02-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Allosteric Mutant IDH1 Inhibitors Reveal Mechanisms for IDH1 Mutant and Isoform Selectivity.
Structure, 25, 2017
5SVZ
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BU of 5svz by Molmil
HIV-1 Tat NLS in complex with importin alpha
Descriptor: Importin subunit alpha-1, Tat
Authors:Smith, K.M, Himiari, Z, Forwood, J.K.
Deposit date:2016-08-08
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Importin-alpha Binding of the Human Immunodeficiency Virus Tat.
Sci Rep, 7, 2017
1CB0
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BU of 1cb0 by Molmil
STRUCTURE OF HUMAN 5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE AT 1.7 A RESOLUTION
Descriptor: ADENINE, PROTEIN (5'-DEOXY-5'-METHYLTHIOADENOSINE PHOSPHORYLASE)
Authors:Appleby, T.C, Erion, M.D, Ealick, S.E.
Deposit date:1999-02-26
Release date:1999-07-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase at 1.7 A resolution provides insights into substrate binding and catalysis.
Structure Fold.Des., 7, 1999
5JRT
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BU of 5jrt by Molmil
Crystal structure of the human Tankyrase 2 (TNKS2) SAM domain (DH902/924RE)
Descriptor: Tankyrase-2
Authors:Guettler, S, Mariotti, L, Cronin, N.
Deposit date:2016-05-06
Release date:2016-08-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Tankyrase Requires SAM Domain-Dependent Polymerization to Support Wnt-beta-Catenin Signaling.
Mol.Cell, 63, 2016
5SV7
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BU of 5sv7 by Molmil
The Crystal structure of a chaperone
Descriptor: Eukaryotic translation initiation factor 2-alpha kinase 3
Authors:Wang, P, Li, J, Sha, B.
Deposit date:2016-08-04
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:The ER stress sensor PERK luminal domain functions as a molecular chaperone to interact with misfolded proteins.
Acta Crystallogr D Struct Biol, 72, 2016
1SC4
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BU of 1sc4 by Molmil
Crystal structure of the human caspase-1 C285A mutant after removal of malonate
Descriptor: Interleukin-1 beta convertase
Authors:Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
Deposit date:2004-02-11
Release date:2004-08-10
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
5TC8
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BU of 5tc8 by Molmil
Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Cameron, S.A, Firestone, R.S, Schramm, V.L, Almo, S.C.
Deposit date:2016-09-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:TBA
To be published
5JXD
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BU of 5jxd by Molmil
Crystal structure of murine Tnfaip8 C165S mutant
Descriptor: Tumor necrosis factor alpha-induced protein 8, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Park, J, Kim, M.S, Lee, D, Shin, D.H.
Deposit date:2016-05-13
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:The Tnfaip8-PE complex is a novel upstream effector in the anti-autophagic action of insulin
Sci Rep, 7, 2017
3KA0
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BU of 3ka0 by Molmil
MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide
Descriptor: 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide, MAP kinase-activated protein kinase 2
Authors:Argiriadi, M.A, Talanian, R.V, Borhani, D.W.
Deposit date:2009-10-16
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.
Bioorg.Med.Chem.Lett., 20, 2010
4X5V
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BU of 4x5v by Molmil
Crystal structure of the post-catalytic nick complex of DNA polymerase lambda with a templating A and incorporated 8-oxo-dGMP
Descriptor: CITRIC ACID, DNA (5'-D(*CP*AP*GP*TP*AP*CP*(8OG))-3'), DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'), ...
Authors:Burak, M.J, Guja, K.E, Garcia-Diaz, M.
Deposit date:2014-12-05
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Nucleotide binding interactions modulate dNTP selectivity and facilitate 8-oxo-dGTP incorporation by DNA polymerase lambda.
Nucleic Acids Res., 43, 2015
4X61
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BU of 4x61 by Molmil
Crystal structure of PRMT5:MEP50 with EPZ015666 and SAM
Descriptor: GLYCEROL, Methylosome protein 50, N-[(2S)-3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide, ...
Authors:Boriack-Sjodin, P.A.
Deposit date:2014-12-06
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A selective inhibitor of PRMT5 with in vivo and in vitro potency in MCL models.
Nat.Chem.Biol., 11, 2015
1U0F
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BU of 1u0f by Molmil
Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, GLUCOSE-6-PHOSPHATE, ...
Authors:Solomons, J.T.G, Zimmerly, E.M, Burns, S, Krishnamurthy, N, Swan, M.K, Krings, S, Muirhead, H, Chirgwin, J, Davies, C.
Deposit date:2004-07-13
Release date:2004-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The crystal structure of mouse phosphoglucose isomerase at 1.6A resolution and its complex with glucose 6-phosphate reveals the catalytic mechanism of sugar ring opening.
J.Mol.Biol., 342, 2004
3JS5
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BU of 3js5 by Molmil
Crystal structure of protein tyrosine phosphatase from Entamoeba histolytica with Hepes in the active site. High resolution, alternative crystal form with 1 molecule in asymmetric unit
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Protein tyrosine phosphatase, SODIUM ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-09-09
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structure and putative substrate identification for the Entamoeba histolytica low molecular weight tyrosine phosphatase.
Mol.Biochem.Parasitol., 193, 2014
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
Descriptor: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
5TM3
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BU of 5tm3 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide
Descriptor: (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-12
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
5TML
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BU of 5tml by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid
Descriptor: 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2
Authors:Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2016-10-13
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017

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