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3P89
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BU of 3p89 by Molmil
FXR bound to a quinolinecarboxylic acid
Descriptor: 6-(4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)quinoline-2-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ...
Authors:Madauss, K.P, Williams, S.P, Deaton, D.N.
Deposit date:2010-10-13
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21, 2011
3OW9
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BU of 3ow9 by Molmil
Structure of an amyloid forming peptide KLVFFA from amyloid beta, alternate polymorph II
Descriptor: KLVFFA hexapeptide segment from Amyloid beta
Authors:Landau, M, Eisenberg, D.
Deposit date:2010-09-17
Release date:2011-08-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis for amyloid-{beta} polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
3MJY
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BU of 3mjy by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Aminoorotic acid
Descriptor: 5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-13
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3MHU
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BU of 3mhu by Molmil
Crystal structure of dihydroorotate dehydrogenase from Leishmania major in complex with 5-Nitroorotic acid
Descriptor: 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ...
Authors:Pinheiro, M.P, Rocha, J.R, Cheleski, J, Montanari, C.A, Nonato, M.C.
Deposit date:2010-04-08
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel insights for dihydroorotate dehydrogenase class 1A inhibitors discovery.
Eur.J.Med.Chem., 45, 2010
3PQS
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BU of 3pqs by Molmil
The crystal structures of porcine pathogen ApH87_TbpB
Descriptor: CACODYLATE ION, GLYCEROL, transferrin-binding protein
Authors:Calmettes, C, Moraes, T.F.
Deposit date:2010-11-26
Release date:2011-02-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Variations within the Transferrin Binding Site on Transferrin-binding Protein B, TbpB.
J.Biol.Chem., 286, 2011
3MXG
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BU of 3mxg by Molmil
Structure of Shiga Toxin type 2 (Stx2) B Pentamer Mutant Q40L
Descriptor: D-xylose, Shiga-like toxin 2 subunit B
Authors:Kovall, R.A, Vander Wielen, B.D, Friedmann, D.R, Flagler, M.J.
Deposit date:2010-05-07
Release date:2011-01-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular basis of differential B-pentamer stability of Shiga toxins 1 and 2.
Plos One, 5, 2010
3PN1
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BU of 3pn1 by Molmil
Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
Authors:Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
3PQU
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BU of 3pqu by Molmil
The crystal structures of porcine pathogen AsH57_TbpB
Descriptor: GLYCEROL, Transferrin binding protein B
Authors:Calmettes, C, Moraes, T.F.
Deposit date:2010-11-26
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Variations within the Transferrin Binding Site on Transferrin-binding Protein B, TbpB.
J.Biol.Chem., 286, 2011
3QPF
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BU of 3qpf by Molmil
Analysis of a New Family of Widely Distributed Metal-independent alpha-Mannosidases Provides Unique Insight into the Processing of N-linked Glycans, Streptococcus pneumoniae SP_2144 apo-structure
Descriptor: 1,2-ETHANEDIOL, Putative uncharacterized protein
Authors:Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J.
Deposit date:2011-02-12
Release date:2011-03-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
3QH2
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BU of 3qh2 by Molmil
Crystal structure of TenI from Bacillus subtilis complexed with product cThz-P
Descriptor: 4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazole-2-carboxylic acid, Regulatory protein tenI, SULFATE ION
Authors:Han, Y, Zhang, Y, Hazra, A, Chatterjee, A, Lai, R, Begley, T.P, Ealick, S.E.
Deposit date:2011-01-25
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.231 Å)
Cite:A Missing Enzyme in Thiamin Thiazole Biosynthesis: Identification of TenI as a Thiazole Tautomerase.
J.Am.Chem.Soc., 133, 2011
4M4Y
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BU of 4m4y by Molmil
Crystal structure of a 2009 H1N1 influenza virus hemagglutinin with a stabilization mutation HA2 E47G
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 subunit, Hemagglutinin HA2 subunit, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-08-07
Release date:2013-09-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site.
J.Virol., 87, 2013
4L3T
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BU of 4l3t by Molmil
Crystal Structure of Substrate-free Human Presequence Protease
Descriptor: ACETATE ION, GLYCEROL, Presequence protease, ...
Authors:King, J.V, Liang, W.G, Tang, W.J.
Deposit date:2013-06-06
Release date:2013-07-03
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Molecular basis of substrate recognition and degradation by human presequence protease.
Structure, 22, 2014
4LEV
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BU of 4lev by Molmil
Structure of human cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Li, P.
Deposit date:2013-06-26
Release date:2013-12-25
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization.
Immunity, 39, 2013
4LEZ
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BU of 4lez by Molmil
Structure of mouse cGAS bound to an 18bp DNA and cGAS product
Descriptor: 18bp dsDNA, Cyclic GMP-AMP synthase, ZINC ION, ...
Authors:Li, P.
Deposit date:2013-06-26
Release date:2013-12-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization.
Immunity, 39, 2013
4LKS
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BU of 4lks by Molmil
Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose
Descriptor: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ...
Authors:Grondin, J.M, Duan, D, Kirlin, A.C, Furness, H.S, Allingham, J.S, Smith, S.P.
Deposit date:2013-07-08
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
4LEY
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BU of 4ley by Molmil
Structure of mouse cGAS bound to 18 bp DNA
Descriptor: 18 bp dsDNA, Cyclic GMP-AMP synthase, ZINC ION
Authors:Li, P.
Deposit date:2013-06-26
Release date:2013-12-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization.
Immunity, 39, 2013
4NM8
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BU of 4nm8 by Molmil
Crystal structure of broadly neutralizing antibody CR8043 bound to H3 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody CR8043, ...
Authors:Lee, P.S, Wilson, I.A.
Deposit date:2013-11-14
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.0041 Å)
Cite:A common solution to group 2 influenza virus neutralization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NGE
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BU of 4nge by Molmil
Crystal Structure of Human Presequence Protease in Complex with Amyloid-beta (1-40)
Descriptor: ACETATE ION, Beta-amyloid protein 40, GLYCEROL, ...
Authors:King, J.V, Liang, W.G, Tang, W.J.
Deposit date:2013-11-01
Release date:2014-05-14
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (2.704 Å)
Cite:Molecular basis of substrate recognition and degradation by human presequence protease.
Structure, 22, 2014
4NP8
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BU of 4np8 by Molmil
Structure of an amyloid forming peptide VQIVYK from the second repeat region of tau (alternate polymorph)
Descriptor: Microtubule-associated protein tau
Authors:Landau, M, Eisenberg, D, Sawaya, M.R, Dannenberg, J, Kobko, N.
Deposit date:2013-11-20
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
4NZT
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BU of 4nzt by Molmil
Crystal structure of the antibody-binding region of Protein M (Protein M TD) in complex with anti-infleunza hemagglutinin antibody CR9114 Fab
Descriptor: CR9114 heavy chain, CR9114 light chain, Protein M TD
Authors:Zhu, X, Wilson, I.A.
Deposit date:2013-12-12
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.497 Å)
Cite:A structurally distinct human mycoplasma protein that generically blocks antigen-antibody union.
Science, 343, 2014
4NUS
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BU of 4nus by Molmil
Rsk2 N-terminal kinase in complex with LJH685
Descriptor: 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-04
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Novel potent and selective inhibitors of p90 ribosomal S6 kinase reveal the heterogeneity of RSK function in MAPK-driven cancers.
Mol Cancer Res, 12, 2014
4LEW
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BU of 4lew by Molmil
Structure of human cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Li, P.
Deposit date:2013-06-26
Release date:2013-12-25
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Cyclic GMP-AMP Synthase Is Activated by Double-Stranded DNA-Induced Oligomerization.
Immunity, 39, 2013
4NCC
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BU of 4ncc by Molmil
Neutralizing antibody to murine norovirus
Descriptor: Fab fragment heavy, Fab fragment light
Authors:Smith, T, Li, M.
Deposit date:2013-10-24
Release date:2014-02-19
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
4NW6
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BU of 4nw6 by Molmil
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
Descriptor: 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine, Ribosomal protein S6 kinase alpha-3
Authors:Appleton, B.A.
Deposit date:2013-12-05
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4NUG
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BU of 4nug by Molmil
Crystal structure of HIV-1 broadly neutralizing antibody PGT151
Descriptor: HEXAETHYLENE GLYCOL, PGT151 heavy chain, PGT151 light chain
Authors:Blattner, C, Wilson, I.A.
Deposit date:2013-12-03
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8617 Å)
Cite:Structural Delineation of a Quaternary, Cleavage-Dependent Epitope at the gp41-gp120 Interface on Intact HIV-1 Env Trimers.
Immunity, 40, 2014

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數據於2024-07-17公開中

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