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3IN3
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BU of 3in3 by Molmil
Bace1 with Compound 30
Descriptor: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3OOZ
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BU of 3ooz by Molmil
Bace1 in complex with the aminohydantoin Compound 102
Descriptor: (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2010-08-31
Release date:2011-08-31
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design and Synthesis of Aminohydantoins as Potent and Selective Human beta-Secretase (BACE1) Inhibitors with Enhanced Brain Permeability
Bioorg.Med.Chem.Lett., 20, 2010
6ZGR
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BU of 6zgr by Molmil
Crystal structure of a MFS transporter with bound 1-hydroxynaphthalene-2-carboxylic acid at 2.67 Angstroem resolution
Descriptor: 1-hydroxynaphthalene-2-carboxylic acid, L-lactate transporter
Authors:Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
Deposit date:2020-06-19
Release date:2021-10-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
6ZGU
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BU of 6zgu by Molmil
Crystal structure of a MFS transporter with bound 3-(2-methylphenyl)propanoic acid at 2.41 Angstroem resolution
Descriptor: 3-(2-methylphenyl)propanoic acid, L-lactate transporter
Authors:Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
Deposit date:2020-06-19
Release date:2021-10-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
6ZGT
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BU of 6zgt by Molmil
Crystal structure of a MFS transporter with bound 2-naphthoic acid at 2.39 Angstroem resolution
Descriptor: L-lactate transporter, naphthalene-2-carboxylic acid
Authors:Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
Deposit date:2020-06-19
Release date:2021-10-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
6ZGS
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BU of 6zgs by Molmil
Crystal structure of a MFS transporter with bound 3-phenylpropanoic acid at 2.39 Angstroem resolution
Descriptor: HYDROCINNAMIC ACID, L-lactate transporter
Authors:Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
Deposit date:2020-06-19
Release date:2021-10-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:The making of a potent L-lactate transport inhibitor
Commun Chem, 4, 2021
6G9X
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BU of 6g9x by Molmil
Crystal structure of a MFS transporter at 2.54 Angstroem resolution
Descriptor: 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ...
Authors:Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D.
Deposit date:2018-04-11
Release date:2019-07-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
8A7I
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BU of 8a7i by Molmil
Crystal structure of BRD9 bromodomain in complex with compound EA-89
Descriptor: Bromodomain-containing protein 9, ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide
Authors:Faller, M, Zink, F.
Deposit date:2022-06-21
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:BRD9 degraders as chemosensitizers in acute leukemia and multiple myeloma.
Blood Cancer J, 12, 2022
3L3A
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BU of 3l3a by Molmil
Bace-1 with the aminopyridine Compound 32
Descriptor: 4-(4-{1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)-1H-pyrrol-2-yl}phenoxy)butanenitrile, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.362 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3L38
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BU of 3l38 by Molmil
Bace1 in complex with the aminopyridine Compound 44
Descriptor: 6-({2-(2-chlorophenyl)-5-[4-(pyrimidin-5-yloxy)phenyl]-1H-pyrrol-1-yl}methyl)pyridin-2-amine, Beta-secretase 1
Authors:Olland, A.M, Chopra, R.
Deposit date:2009-12-16
Release date:2010-04-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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
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
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
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
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
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
1W5R
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BU of 1w5r by Molmil
X-ray crystallographic structure of a C70Q Mycobacterium smegmatis N- arylamine Acetyltransferase
Descriptor: ARYLAMINE N-ACETYLTRANSFERASE
Authors:Holton, S.J, Sandy, J, Rodrigues-Lima, F, Dupret, J.-M, Bhakta, S, Noble, M.E.M, Sim, E.
Deposit date:2004-08-09
Release date:2005-05-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Investigation of the Catalytic Triad of Arylamine N-Acetyltransferases: Essential Residues Required for Acetyl Transfer to Arylamines.
Biochem.J., 390, 2005
4ISY
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BU of 4isy by Molmil
Crystal structure of IscS from Mycobacterium tuberculosis
Descriptor: Cysteine desulfurase, GLYCEROL, SULFATE ION
Authors:Rybniker, J, Pojer, F, Cole, S.T.
Deposit date:2013-01-17
Release date:2014-02-26
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:The cysteine desulfurase IscS of Mycobacterium tuberculosis is involved in iron-sulfur cluster biogenesis and oxidative stress defence.
Biochem.J., 459, 2014
5TJF
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BU of 5tjf by Molmil
The crystal structure of Allophycocyanin from the red algae Gracilaria chilensis
Descriptor: Allophycocyanin alpha subunit, Allophycocyanin beta subunit, CHLORIDE ION, ...
Authors:Figueroa, M, Dagnino, J, Kerff, F, Chartier, P, Bunster, M, Martinez-Oyanedel, J.
Deposit date:2016-10-04
Release date:2017-05-24
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural models of the different trimers present in the core of phycobilisomes from Gracilaria chilensis based on crystal structures and sequences.
PLoS ONE, 12, 2017
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