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2J4A
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BU of 2j4a by Molmil
Human Thyroid hormone receptor beta ligand binding domain in complex with KB131084
Descriptor: 3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID, THYROID HORMONE RECEPTOR BETA-1
Authors:Farnegardh, M.
Deposit date:2006-08-28
Release date:2007-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thyroid Receptor Ligands. 6. A High Affinity "Direct Antagonist" Selective for the Thyroid Hormone Receptor.
J.Med.Chem., 49, 2006
2MVO
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BU of 2mvo by Molmil
Solution structure of the lantibiotic self-resistance lipoprotein MlbQ from Microbispora ATCC PTA-5024
Descriptor: Putative lipoprotein
Authors:Pozzi, R, Schwartz, P, Linke, D, Kulik, A, Nega, M, Wohlleben, W, Stegmann, E, Coles, M.
Deposit date:2014-10-09
Release date:2015-07-15
Last modified:2024-11-06
Method:SOLUTION NMR
Cite:Distinct mechanisms contribute to immunity in the lantibiotic NAI-107 producer strain Microbispora ATCC PTA-5024.
Environ Microbiol, 18, 2016
1R6G
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BU of 1r6g by Molmil
Crystal structure of the thyroid hormone receptor beta ligand binding domain in complex with a beta selective compound
Descriptor: 2-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-1,1-DIOL, Thyroid hormone receptor beta-1
Authors:Hangeland, J.J, Dejneka, T, Friends, T.J, Devasthale, P, Mellstrom, K, Sandberg, J, Grynfarb, M, Doweyko, A.M, Sack, J.S, Einspahr, H, Farnegardh, M, Husman, B, Ljunggren, J, Koehler, K, Sheppard, C, Malm, J, Ryono, D.E.
Deposit date:2003-10-15
Release date:2005-02-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Thyroid receptor ligands. Part 2: Thyromimetics with improved selectivity for the thyroid hormone receptor beta.
Bioorg.Med.Chem.Lett., 14, 2004
2BQ1
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BU of 2bq1 by Molmil
Ribonucleotide reductase class 1b holocomplex R1E,R2F from Salmonella typhimurium
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, FE (III) ION, MAGNESIUM ION, ...
Authors:Uppsten, M, Farnegardh, M, Domkin, V, Uhlin, U.
Deposit date:2005-04-26
Release date:2006-05-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.99 Å)
Cite:The First Holocomplex Structure of Ribonucleotide Reductase Gives New Insight Into its Mechanism of Action
J.Mol.Biol., 359, 2006
2MTW
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BU of 2mtw by Molmil
Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit into HLA-DR 1*03 molecules induces antibody production and protection
Descriptor: Erythrocyte-binding antigen 175
Authors:Cifuentes, G, Salazar, L, Vargas, L, Parra, C, Vanegas, M, Cortes, J, Sandoval, M, Patarroyo, M.E.
Deposit date:2014-09-01
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit HLA-DR 1*03 molecules induces antibody production and protection
To be Published
2MUF
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BU of 2muf by Molmil
Binding activity, structure, and immunogenicity of synthetic peptides derived from Plasmodium falciparum CelTOS and TRSP proteins
Descriptor: TRSP
Authors:Curtidor, H, Arevalo-Pinzon, G, Bermudez, A, Calderon, D, Vanegas, M, Patino, L, Patarroyo, M.
Deposit date:2014-09-09
Release date:2015-09-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Binding activity, structure, and immunogenicity of synthetic peptides derived from Plasmodium falciparum CelTOS and TRSP proteins.
Amino Acids, 43, 2012
2MTY
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BU of 2mty by Molmil
3D structure determination of STARP peptides implicated in P. falciparum Invasion of hepatic cells
Descriptor: STARP antigen
Authors:Bermudez, A, Alba, M.P, Vanegas, M, Patarroyo, M.E.
Deposit date:2014-09-01
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:3D structure determination of STARP peptides implicated in P. falciparum invasion of hepatic cells.
Vaccine, 28, 2010
2MU6
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BU of 2mu6 by Molmil
3D structure determination of STARP peptides implicated in P. falciparum Invasion of hepatic cells
Descriptor: STARP antigen
Authors:Bermudez, A, Alba, M.P, Vanegas, M, Patarroyo, M.E.
Deposit date:2014-09-04
Release date:2014-12-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:3D structure determination of STARP peptides implicated in P. falciparum invasion of hepatic cells.
Vaccine, 28, 2010
4KNL
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BU of 4knl by Molmil
Crystal structure of Staphylococcus aureus hydrolase AmiA in complex with its ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Bifunctional autolysin, D(-)-TARTARIC ACID, ...
Authors:Buettner, F.M, Stehle, T.
Deposit date:2013-05-10
Release date:2014-03-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-function analysis of Staphylococcus aureus amidase reveals the determinants of peptidoglycan recognition and cleavage.
J.Biol.Chem., 289, 2014
4KNK
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BU of 4knk by Molmil
Crystal structure of Staphylococcus aureus hydrolase AmiA
Descriptor: 1,2-ETHANEDIOL, Bifunctional autolysin, DI(HYDROXYETHYL)ETHER, ...
Authors:Buettner, F.M, Zoll, S, Stehle, T.
Deposit date:2013-05-10
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.124 Å)
Cite:Structure-function analysis of Staphylococcus aureus amidase reveals the determinants of peptidoglycan recognition and cleavage.
J.Biol.Chem., 289, 2014
7OVT
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BU of 7ovt by Molmil
major seeded in vitro fibril morphology from murine SAA1.1 protein
Descriptor: Serum amyloid A-2 protein
Authors:Heerde, T, Schmidt, M, Faendrich, M.
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:Cryo-EM demonstrates the in vitro proliferation of an ex vivo amyloid fibril morphology by seeding.
Nat Commun, 13, 2022
6CN5
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BU of 6cn5 by Molmil
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA LIGAND- BINDING DOMAIN IN COMPLEX WITH INDOLE LIGAND CP9b IN INVERSE AGONIST CONFORMATION
Descriptor: 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
6CN6
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BU of 6cn6 by Molmil
RORC2 LBD complexed with compound 34
Descriptor: 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma
Authors:Kauppi, B, Vajdos, F.
Deposit date:2018-03-07
Release date:2018-09-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.
J. Med. Chem., 61, 2018
7OFK
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BU of 7ofk by Molmil
Ligand complex of RORg LBD
Descriptor: (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2021-05-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
7OFI
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BU of 7ofi by Molmil
Ligand complex of RORg LBD
Descriptor: (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ...
Authors:Xue, Y, Aagaard, A, Narjes, F.
Deposit date:2021-05-05
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.953 Å)
Cite:AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
6ZCF
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BU of 6zcf by Molmil
Amyloid fibril morphology i (in vitro) from murine SAA1.1 protein
Descriptor: Serum amyloid A-2 protein
Authors:Bansal, A, Schmidt, M, Faendrich, M.
Deposit date:2020-06-11
Release date:2021-02-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
6ZCH
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BU of 6zch by Molmil
Amyloid fibril morphology II (ex vivo) from murine SAA1.1 protein.
Descriptor: Serum amyloid A-2 protein
Authors:Bansal, A, Schmidt, M, Faendrich, M.
Deposit date:2020-06-11
Release date:2021-02-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
6DSO
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BU of 6dso by Molmil
Cryo-EM structure of murine AA amyloid fibril
Descriptor: Serum amyloid A-2 protein
Authors:Loerch, S, Liberta, F, Grigorieff, N, Fandrich, M, Schmidt, M.
Deposit date:2018-06-14
Release date:2019-03-13
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM fibril structures from systemic AA amyloidosis reveal the species complementarity of pathological amyloids.
Nat Commun, 10, 2019
6ZCG
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BU of 6zcg by Molmil
Amyloid fibril morphology ii (in vitro) from murine SAA1.1 protein
Descriptor: Serum amyloid A-2 protein
Authors:Bansal, A, Schmidt, M, Fandrich, M.
Deposit date:2020-06-11
Release date:2021-02-17
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:AA amyloid fibrils from diseased tissue are structurally different from in vitro formed SAA fibrils.
Nat Commun, 12, 2021
2MSA
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BU of 2msa by Molmil
Structural and immunological analysis of circumsporozoite protein peptides: a further step in the identification of potential components of a minimal subunit-based, chemically synthesised antimalarial vaccine.
Descriptor: Circumsporozoite protein peptide
Authors:Adriana, B, Magnolia, V, Manuel, P.E.
Deposit date:2014-07-28
Release date:2014-09-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural and immunological analysis of circumsporozoite protein peptides: a further step in the identification of potential components of a minimal subunit-based, chemically synthesised antimalarial vaccine.
Vaccine, 26, 2008

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