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5T8E
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BU of 5t8e by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
Descriptor: 2-chloro-4-[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2016-09-07
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
5V8Q
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BU of 5v8q by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III
Descriptor: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2017-03-22
Release date:2017-05-24
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate.
Bioorg. Med. Chem., 25, 2017
5T8J
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BU of 5t8j by Molmil
Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives
Descriptor: 2-fluoro-4-[(2S,3S)-3-hydroxy-2,3-dimethylpyrrolidin-1-yl]-3-methylbenzonitrile, Androgen receptor, GLYCEROL
Authors:Wilson, K.P.
Deposit date:2016-09-07
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part II: Optimization of 4-(pyrrolidin-1-yl)benzonitrile derivatives.
Bioorg. Med. Chem. Lett., 27, 2017
3FI6
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BU of 3fi6 by Molmil
apo-H49AFr with high content of Pd ions
Descriptor: CADMIUM ION, Ferritin light chain, PALLADIUM ION, ...
Authors:Abe, M, Ueno, T, Hirata, K, Suzuki, M, Abe, S, Shimizu, N, Yamaoto, M, Takata, M, Watanabe, Y.
Deposit date:2008-12-11
Release date:2009-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Process of Accumulation of Metal Ions on the Interior Surface of apo-Ferritin: Crystal Structures of a Series of apo-Ferritins Containing Variable Quantities of Pd(II) Ions
J.Am.Chem.Soc., 131, 2009
1H0H
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BU of 1h0h by Molmil
Tungsten containing Formate Dehydrogenase from Desulfovibrio Gigas
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Raaijmakers, H.C.A.
Deposit date:2002-06-19
Release date:2003-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gene Sequence and the 1.8 A Crystal Structure of the Tungsten-Containing Formate Dehydrogenase from Desulfovibrio Gigas
Structure, 10, 2002
2LK5
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BU of 2lk5 by Molmil
Solution structure of the Zn(II) form of Desulforedoxin
Descriptor: Desulforedoxin, ZINC ION
Authors:Goodfellow, B.J, Tavares, P, Romao, M.J, Czaja, C, Rusnak, F, Legall, J, Moura, I, Moura, J.J.G.
Deposit date:2011-10-06
Release date:2012-01-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The solution structure of desulforedoxin, a simple iron-sulfur protein - An NMR study of the zinc derivative
J.BIOL.INORG.CHEM., 1, 1996
5XPO
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BU of 5xpo by Molmil
Crystal structure of VDR-LBD complexed with 25-(hydroxyphenyl)-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
Descriptor: (5~{R})-5-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl)cyclohexyl idene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]-1-(4-hydroxyphenyl)hexan-1-one, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-03
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
5XPN
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BU of 5xpn by Molmil
Crystal structure of VDR-LBD complexed with 25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3
Descriptor: (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{S})-6-(4-hydroxyphenyl)-6-methoxy-hexan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-03
Release date:2018-07-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
5XPP
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BU of 5xpp by Molmil
Crystal structure of VDR-LBD complexed with 25RS-(Hydroxyphenyl)-2-methylidene-19,26,27-trinor-1,25-dihydroxyvitamin D3
Descriptor: (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},6~{R})-6-(4-hydroxyphenyl)-6-oxidanyl-hexan-2-yl]-7~{ a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-03
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
5XPL
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BU of 5xpl by Molmil
Crystal structure of VDR-LBD complexed with 22S-butyl-25-hydroxyphenyl-2-methylidene-19,26,27-trinor-25-oxo-1-hydroxyvitamin D3
Descriptor: (4~{S})-4-[(1~{R})-1-[(1~{R},3~{a}~{S},4~{E},7~{a}~{R})-7~{a}-methyl-4-[2-[(3~{R},5~{R})-4-methylidene-3,5-bis(oxidanyl )cyclohexylidene]ethylidene]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-1-yl]ethyl]-1-(4-hydroxyphenyl)octan-1-one, Nuclear receptor coactivator 2, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-03
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
5XPM
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BU of 5xpm by Molmil
Crystal structure of VDR-LBD complexed with 22S-Butyl-25RS-(hydroxyphenyl)-25-methoxy-2-methylidene-19,26,27-trinor-1-hydroxyvitamin D3
Descriptor: (1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R},3~{S})-3-[(3~{S})-3-(4-hydroxyphenyl)-3-methoxy-propyl]heptan-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor
Authors:Kato, A, Itoh, T, Yamamoto, K.
Deposit date:2017-06-03
Release date:2018-06-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Vitamin D Analogues with a p-Hydroxyphenyl Group at the C25 Position: Crystal Structure of Vitamin D Receptor Ligand-Binding Domain Complexed with the Ligand Explains the Mechanism Underlying Full Antagonistic Action
J. Med. Chem., 60, 2017
3HI5
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BU of 3hi5 by Molmil
Crystal structure of Fab fragment of AL-57
Descriptor: Heavy chain of Fab fragment of AL-57 against alpha L I domain, light chain of Fab fragment of AL-57 against alpha L I domain
Authors:Zhang, H, Wang, J.
Deposit date:2009-05-18
Release date:2009-09-22
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009
3HI6
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BU of 3hi6 by Molmil
Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57
Descriptor: Heavy chain of Fab fragment of AL-57 against alpha L I domain, Integrin alpha-L, MANGANESE (II) ION, ...
Authors:Zhang, H, Wang, J.
Deposit date:2009-05-19
Release date:2009-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009
3F78
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BU of 3f78 by Molmil
Crystal structure of wild type LFA1 I domain complexed with isoflurane
Descriptor: 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, GLYCEROL, Integrin alpha-L, ...
Authors:Zhang, H, Wang, J.-H.
Deposit date:2008-11-07
Release date:2009-06-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
3F74
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BU of 3f74 by Molmil
Crystal structure of wild type LFA1 I domain
Descriptor: GLYCEROL, Integrin alpha-L, MAGNESIUM ION
Authors:Zhang, H, Wang, J.-H.
Deposit date:2008-11-07
Release date:2009-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of isoflurane bound to integrin LFA-1 supports a unified mechanism of volatile anesthetic action in the immune and central nervous systems.
Faseb J., 23, 2009
1GDH
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BU of 1gdh by Molmil
CRYSTAL STRUCTURE OF A NAD-DEPENDENT D-GLYCERATE DEHYDROGENASE AT 2.4 ANGSTROMS RESOLUTION
Descriptor: D-GLYCERATE DEHYDROGENASE, SULFATE ION
Authors:Goldberg, J.D, Yoshida, T, Brick, P.
Deposit date:1993-09-22
Release date:1994-01-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a NAD-dependent D-glycerate dehydrogenase at 2.4 A resolution.
J.Mol.Biol., 236, 1994
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