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3QNY
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BU of 3qny by Molmil
Monoclinic form of human IgA1 Fab fragment, sharing same Fv as IgG
Descriptor: FAB FRAGMENT OF IMMUNOGLOBULIN A1 HEAVY CHAIN, FAB FRAGMENT OF IMMUNOGLOBULIN A1 LIGHT CHAIN, GLYCEROL
Authors:Trajtenberg, F, Correa, A, Buschiazzo, A.
Deposit date:2011-02-09
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
1AKY
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BU of 1aky by Molmil
HIGH-RESOLUTION STRUCTURES OF ADENYLATE KINASE FROM YEAST LIGATED WITH INHIBITOR AP5A, SHOWING THE PATHWAY OF PHOSPHORYL TRANSFER
Descriptor: ADENYLATE KINASE, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, IMIDAZOLE
Authors:Abele, U, Schulz, G.E.
Deposit date:1995-07-28
Release date:1995-11-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:High-resolution structures of adenylate kinase from yeast ligated with inhibitor Ap5A, showing the pathway of phosphoryl transfer.
Protein Sci., 4, 1995
5ICH
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BU of 5ich by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
Descriptor: 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-23
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
to be published
6LI1
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BU of 6li1 by Molmil
Crystal structure of GPR52 ligand free form with flavodoxin fusion
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera of G-protein coupled receptor 52 and Flavodoxin, DI(HYDROXYETHYL)ETHER, ...
Authors:Luo, Z.P, Lin, X, Xu, F, Han, G.W.
Deposit date:2019-12-10
Release date:2020-02-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of ligand recognition and self-activation of orphan GPR52.
Nature, 579, 2020
3CS4
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BU of 3cs4 by Molmil
Structure-based design of a superagonist ligand for the vitamin D nuclear receptor
Descriptor: (1S,3R,5Z,7E,14beta,17alpha)-17-[(2S,4S)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-9,10-secoandrosta-5,7,10-triene-1,3-diol, Vitamin D3 receptor
Authors:Hourai, S, Rodriguez, L.C, Antony, P, Reina-San-Martin, B, Ciesielski, F, Magnier, B.C, Schoonjans, K, Mourino, A, Rochel, N, Moras, D.
Deposit date:2008-04-09
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of a superagonist ligand for the vitamin d nuclear receptor.
Chem.Biol., 15, 2008
2D32
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BU of 2d32 by Molmil
Crystal Structure of Michaelis Complex of gamma-Glutamylcysteine Synthetase
Descriptor: CYSTEINE, GLUTAMIC ACID, Glutamate--cysteine ligase, ...
Authors:Hibi, T, Nakayama, M, Nii, H, Kurokawa, Y, Katano, H, Oda, J.
Deposit date:2005-09-25
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of efficient coupling peptide ligation and ATP hydrolysis by gamma-gluatamylcysteine synthetase
To be Published
2IOG
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BU of 2iog by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 11F
Descriptor: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)-1H-INDOL-3-YL]ACETAMIDE
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
2IOK
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BU of 2iok by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 1D
Descriptor: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
Authors:Fitzgerald, P.M.D, Sharma, N.
Deposit date:2006-10-10
Release date:2007-10-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17, 2007
5LG7
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BU of 5lg7 by Molmil
Solution NMR structure of Tryptophan to Arginine mutant of Arkadia RING domain
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-06
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
4XBM
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BU of 4xbm by Molmil
X-ray crystal structure of Notch ligand Delta-like 1
Descriptor: Delta-like protein 1, alpha-L-fucopyranose
Authors:Kershaw, N.J, Burgess, A.W, Church, N.L, Luo, C.S, Adam, T.E.
Deposit date:2014-12-17
Release date:2015-03-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Notch ligand delta-like1: X-ray crystal structure and binding affinity.
Biochem.J., 468, 2015
5LG0
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BU of 5lg0 by Molmil
Solution NMR structure of Tryptophan to Alanine mutant of Arkadia RING domain.
Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION
Authors:Birkou, M, Chasapis, C.T, Loutsidou, A.K, Bentrop, D, Lelli, M, Herrmann, T, Episkopou, V, Spyroulias, G.A.
Deposit date:2016-07-05
Release date:2017-06-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A Residue Specific Insight into the Arkadia E3 Ubiquitin Ligase Activity and Conformational Plasticity.
J. Mol. Biol., 429, 2017
3F3M
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BU of 3f3m by Molmil
Six Crystal Structures of Two Phosphopantetheine Adenylyltransferases Reveal an Alternative Ligand Binding Mode and an Associated Structural Change
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, Phosphopantetheine adenylyltransferase
Authors:Lee, H.H, Yoon, H.J, Suh, S.W.
Deposit date:2008-10-31
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of Staphylococcus aureus phosphopantetheine adenylyltransferase in complex with 3'-phosphoadenosine 5'-phosphosulfate reveals a new ligand-binding mode
Acta Crystallogr.,Sect.F, 65, 2009
6F6C
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BU of 6f6c by Molmil
R2-like ligand-binding oxidase V72A mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.766 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
8PD0
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BU of 8pd0 by Molmil
cryo-EM structure of Doa10 in MSP1E3D1
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
Authors:Botsch, J.J, Braeuning, B, Schulman, B.A.
Deposit date:2023-06-11
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
8PDA
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BU of 8pda by Molmil
cryo-EM structure of Doa10 with RING domain in MSP1E3D1
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
Authors:Botsch, J.J, Braeuning, B, Schulman, B.A.
Deposit date:2023-06-12
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
3OMO
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BU of 3omo by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
6F6K
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BU of 6f6k by Molmil
R2-like ligand-binding oxidase V72L mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, LAURIC ACID, MANGANESE (II) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.982 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6F6H
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BU of 6f6h by Molmil
R2-like ligand-binding oxidase V72L mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6F6M
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BU of 6f6m by Molmil
R2-like ligand-binding oxidase Y162F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
3OMQ
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BU of 3omq by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
6F6L
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BU of 6f6l by Molmil
R2-like ligand-binding oxidase Y162F mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
6F6G
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BU of 6f6g by Molmil
R2-like ligand-binding oxidase V72I mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, PALMITIC ACID, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
3OMP
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BU of 3omp by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
6F6B
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BU of 6f6b by Molmil
R2-like ligand-binding oxidase A171F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
5MVB
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BU of 5mvb by Molmil
Solution structure of a human G-Quadruplex hybrid-2 form in complex with a Gold-ligand.
Descriptor: DNA (26-MER), POTASSIUM ION, bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)
Authors:Wirmer-Bartoschek, J, Jonker, H.R.A, Bendel, L.E, Gruen, T, Bazzicalupi, C, Messori, L, Gratteri, P, Schwalbe, H.
Deposit date:2017-01-16
Release date:2017-05-31
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Solution NMR Structure of a Ligand/Hybrid-2-G-Quadruplex Complex Reveals Rearrangements that Affect Ligand Binding.
Angew. Chem. Int. Ed. Engl., 56, 2017

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