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2KNR
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BU of 2knr by Molmil
Solution structure of protein Atu0922 from A. tumefaciens. Northeast Structural Genomics Consortium target AtT13. Ontario Center for Structural Proteomics target ATC0905
Descriptor: Uncharacterized protein ATC0905
Authors:Gutmanas, A, Yee, S, Lemak, A, Fares, A, Semesi, A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2009-09-02
Release date:2009-11-03
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR structure of protein atc0905 from A. tumefaciens
To be Published
3OLF
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BU of 3olf by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-26
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OOF
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BU of 3oof by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)benzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-31
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OKH
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BU of 3okh by Molmil
Crystal structure of human FXR in complex with 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid
Descriptor: 2-(4-chlorophenyl)-1-[(1S)-1-cyclohexyl-2-(cyclohexylamino)-2-oxoethyl]-1H-benzimidazole-6-carboxylic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
3OMK
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BU of 3omk by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-methylphenyl)ethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OKI
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BU of 3oki by Molmil
Crystal structure of human FXR in complex with (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide
Descriptor: (2S)-2-[2-(4-chlorophenyl)-1H-benzimidazol-1-yl]-N,2-dicyclohexylethanamide, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-25
Release date:2010-12-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia & diabetes
Bioorg.Med.Chem.Lett., 21, 2010
3OOK
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BU of 3ook by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-31
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
3OMM
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BU of 3omm by Molmil
Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid
Descriptor: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-fluorobenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1
Authors:Rudolph, M.G.
Deposit date:2010-08-27
Release date:2011-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties
Bioorg.Med.Chem.Lett., 21, 2011
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
2JOQ
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BU of 2joq by Molmil
Solution Structure of Protein HP0495 from H. pylori; Northeast structural genomics consortium target PT2; Ontario Centre for Structural Proteomics target HP0488
Descriptor: Hypothetical protein HP_0495
Authors:Gutmanas, A, Lemak, A, Yee, A, Karra, M, Srisailam, S, Semesi, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2007-03-19
Release date:2007-04-03
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution Structure of Protein HP0495 from H. pylori
To be Published
2JQ4
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BU of 2jq4 by Molmil
Complete resonance assignments and solution structure calculation of ATC2521 (NESG ID: AtT6) from Agrobacterium tumefaciens
Descriptor: Hypothetical protein Atu2571
Authors:Srisailam, S, Lemak, A, Yee, A, Karra, M.D, Lukin, J.A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-05-29
Release date:2007-06-12
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution Structure of a protein (ATC2521)of unknown function from Agrobacterium tumefaciens
To be Published
4LPL
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BU of 4lpl by Molmil
Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens
Descriptor: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ...
Authors:Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P.
Deposit date:2013-07-16
Release date:2014-07-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
2JN4
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BU of 2jn4 by Molmil
Solution NMR Structure of Protein RP4601 from Rhodopseudomonas palustris. Northeast Structural Genomics Consortium Target RpT2; Ontario Center for Structural Proteomics Target RP4601.
Descriptor: Hypothetical protein fixU, nifT
Authors:Lemak, A, Srisailam, S, Yee, A, Karra, M.D, Lukin, J.A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-12-22
Release date:2007-01-23
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of a hypothetical protein RP4601 from Rhodopseudomonas palustris
To be Published
4LQR
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BU of 4lqr by Molmil
Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens
Descriptor: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein
Authors:Grondin, J.M, Furness, H.S, Duan, D, Spencer, C.A, Allingham, J.S, Smith, S.P.
Deposit date:2013-07-19
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
2JTV
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BU of 2jtv by Molmil
Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384
Descriptor: Protein of Unknown Function
Authors:Ignatchenko, A, Gutmanas, A, Lemak, A, Yee, A, Karra, M, Srisailam, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-08-07
Release date:2007-10-09
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of protein RPA3401, Northeast Structural Genomics Consortium Target RpT7, Ontario Center for Structural Proteomics Target RP3384
TO BE PUBLISHED
2KEO
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BU of 2keo by Molmil
Solution NMR structure of human protein HS00059, cytochrome-b5-like domain of the HERC2 E3 ligase. Northeast structural genomics consortium (NESG) target ht98a
Descriptor: Probable E3 ubiquitin-protein ligase HERC2
Authors:Lemak, A, Gutmanas, A, Fares, C, Quyang, H, Li, Y, Montelione, G, Arrowsmith, C, Dhe-Paganon, S, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-01-30
Release date:2009-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution NMR Structure of human protein HS00059
To be Published
2KDB
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BU of 2kdb by Molmil
Solution Structure of human ubiquitin-like domain of Herpud2_9_85, Northeast Structural Genomics Consortium (NESG) target HT53A
Descriptor: Homocysteine-responsive endoplasmic reticulum-resident ubiquitin-like domain member 2 protein
Authors:Wu, B, Yee, A, Fares, C, Lemak, A, Gutmanas, A, Doherty, R, Semesi, A, Dhe-Paganon, S, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
Deposit date:2009-01-06
Release date:2009-02-10
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of human homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 2 (Herpud2 or Herp)
To be Published
6XR4
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BU of 6xr4 by Molmil
Integrative in situ structure of Parkinsons disease-linked human LRRK2
Descriptor: Leucine-rich repeat serine/threonine-protein kinase 2
Authors:Villa, E, Lasker, K, Audagnotto, M.
Deposit date:2020-07-10
Release date:2020-08-19
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (14 Å)
Cite:The In Situ Structure of Parkinson's Disease-Linked LRRK2.
Cell, 182, 2020
4P5Y
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BU of 4p5y by Molmil
Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with N-acetylgalactosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, Glycosyl hydrolase, ...
Authors:Grondin, J.M, Allingham, J.S, Boraston, A.B, Smith, S.P.
Deposit date:2014-03-04
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
PLoS ONE, 12, 2017
3C9J
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BU of 3c9j by Molmil
The Crystal structure of Transmembrane domain of M2 protein and Amantadine complex
Descriptor: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, Proton Channel protein M2, transmembrane segment
Authors:Stouffer, A.L, Acharya, R, Salom, D.
Deposit date:2008-02-15
Release date:2008-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for the function and inhibition of an influenza virus proton channel
Nature, 451, 2008
3CJJ
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BU of 3cjj by Molmil
Crystal structure of human rage ligand-binding domain
Descriptor: ACETATE ION, Advanced glycosylation end product-specific receptor, ZINC ION
Authors:Koch, M, Dattilo, B.M, Schiefner, A, Diez, J, Chazin, W.J, Fritz, G.
Deposit date:2008-03-13
Release date:2009-03-24
Last modified:2011-12-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for ligand recognition and activation of RAGE.
Structure, 18, 2010
6ZB0
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BU of 6zb0 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2, ...
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.613 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
6Z8P
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BU of 6z8p by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK973
Descriptor: (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide, 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ...
Authors:Chung, C.
Deposit date:2020-06-02
Release date:2020-10-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family.
Acs Med.Chem.Lett., 11, 2020
6ZB1
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BU of 6zb1 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide
Authors:Chung, C.
Deposit date:2020-06-06
Release date:2020-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
J.Med.Chem., 63, 2020
2KKU
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BU of 2kku by Molmil
Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351
Descriptor: Uncharacterized protein
Authors:Wu, B, Yee, A, Fares, C, Lemak, A, Rumpel, S, Semest, A, Montelione, G.T, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Ontario Centre for Structural Proteomics (OCSP)
Deposit date:2009-06-29
Release date:2009-07-14
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of protein af2351 from Archaeoglobus fulgidus. Northeast Structural Genomics Consortium target AtT9/Ontario Center for Structural Proteomics Target af2351
To be Published

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