Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40016 | Target Info | |||
| Target Name | Glucocorticoid receptor (NR3C1) | ||||
| Synonyms | Nuclear receptor subfamily 3 group C member 1; GRL; GR | ||||
| Target Type | Successful Target | ||||
| Gene Name | NR3C1 | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Symbicort | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor in complex with budesonide | PDB:5NFP | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [1] |
| PDB Sequence |
PTLVSLLEVI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QMIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMSLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQELFDEI 689 RMTYIKELGK699 AIVKREGNSS709 QNWQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
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|
|
ILE559
4.304
MET560
3.394
LEU563
3.330
ASN564
2.974
LEU566
4.111
GLY567
3.611
GLN570
2.977
TRP600
4.079
MET601
3.712
MET604
3.616
ALA605
4.118
LEU608
4.362
ARG611
2.845
|
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| Ligand Name: Allermist | Ligand Info | |||||
| Structure Description | Ligand binding domain of the glucocorticoid receptor complexed with fluticazone furoate | PDB:3CLD | ||||
| Method | X-ray diffraction | Resolution | 2.84 Å | Mutation | Yes | [2] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMYLMA605 FALGWRSYRQ615 NLLCFAPDLI628 INEQRMTLPG 638 MYDQCKHMLY648 VSSELHRLQV658 SYEEYLCMKT668 LLLLSSVPKD678 GLKSQELFDE 688 IRMTYIKELG698 KAIVKRQNWQ713 RFYQLTKLLD723 SMHEVVENLL733 NYCFQTFLDK 743 TMSIEFPEML753 AEIITNQIPK763 YSNGNIKKLL773 FHQ
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|
|
ILE559
4.830
MET560
3.283
LEU563
3.181
ASN564
3.019
LEU566
3.990
GLY567
3.625
GLN570
2.733
TRP600
3.994
MET601
3.749
MET604
3.399
ALA605
3.284
LEU608
3.778
ARG611
3.013
PHE623
3.321
|
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| Ligand Name: Mifepristone | Ligand Info | |||||
| Structure Description | Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P) complexed with RU-486 | PDB:5UC3 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [3] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMFLMA605 FALGWRSYRQ615 SSANLLCFAP625 DLIINEQRMT 635 LPCMYDQCKH645 MLYVSSELHR655 LQVSYEEYLC665 MKTLLLLSSV675 PKDGLKSQEL 685 FDEIRMTYIK695 ELGKAIVKRE705 GNSSQNWQRF715 YQLTKLLDSM725 HEVVENLKPY 735 CFQTFLDKTM745 SIGNIKKLLF774 HQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .486 or .4862 or .4863 or :3486;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:568 or .A:570 or .A:571 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.570
LEU563
3.603
ASN564
3.375
LEU566
3.937
GLY567
3.699
GLY568
4.333
GLN570
2.730
VAL571
4.060
TRP600
3.482
MET601
4.377
MET604
3.381
ALA605
4.443
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dexamethasone | Ligand Info | |||||
| Structure Description | Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif | PDB:1M2Z | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [4] |
| PDB Sequence |
ATLPQLTPTL
532 VSLLEVIEPE542 VLYAGYDSSV552 PDSTWRIMTT562 LNMLGGRQVI572 AAVKWAKAIP 582 GFRNLHLDDQ592 MTLLQYSWMS602 LMAFALGWRS612 YRQSSANLLC622 FAPDLIINEQ 632 RMTLPCMYDQ642 CKHMLYVSSE652 LHRLQVSYEE662 YLCMKTLLLL672 SSVPKDGLKS 682 QELFDEIRMT692 YIKELGKAIV702 KREGNSSQNW712 QRFYQLTKLL722 DSMHEVVENL 732 LNYCFQTFLD742 KTMSIEFPEM752 LAEIITNQIP762 KYSNGNIKKL772 LFHQK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DEX or .DEX2 or .DEX3 or :3DEX;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:642 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.732
LEU563
3.234
ASN564
3.037
LEU566
4.173
GLY567
3.818
GLN570
3.064
TRP600
3.931
MET601
3.576
MET604
3.677
ALA605
3.960
LEU608
4.179
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Hydrocortisone | Ligand Info | |||||
| Structure Description | Crystal Structure of cortisol-bound glucocorticoid receptor ligand binding domain | PDB:4P6X | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [5] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMALMA605 FALGWRSYRQ615 SSANLLYFAP625 DLIINEQRMT 635 LPCMYDQCKH645 MLYVSSELHR655 LQVSYEEYLC665 MKVLLLLSTI675 PKDGLKSQAL 685 FDAIRMTYIK695 ELGKAIVKRE705 GNSSQNWQRF715 YQLTKLLDSM725 HEVVENLLNY 735 CFQTFLDKTM745 SIEFPEMLAE755 IITNQIPKYS765 NGNIKKLLFH775 QK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HCY or .HCY2 or .HCY3 or :3HCY;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:642 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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MET560
3.741
LEU563
3.472
ASN564
2.889
LEU566
4.032
GLY567
3.831
GLN570
3.016
TRP600
4.020
MET601
3.951
MET604
3.466
ALA605
4.042
LEU608
3.909
|
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| Ligand Name: AZD9567 | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor in complex with AZD9567 | PDB:6EL9 | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | Yes | [6] |
| PDB Sequence |
PTLVSLLEVI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QMIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMSLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQALFDEI 689 RMTYIKELGK699 AIVKREGNSS709 QNSQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B9W or .B9W2 or .B9W3 or :3B9W;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:642 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753 or .A:757; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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MET560
3.715
LEU563
3.426
ASN564
2.752
LEU566
3.347
GLY567
3.620
GLN570
3.316
TRP600
3.428
MET601
4.132
MET604
3.694
ALA605
4.650
ALA607
3.228
LEU608
3.815
ARG611
3.587
|
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| Ligand Name: AZD-5423 | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor in complex with AZD5423 | PDB:5NFT | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
TPTLVSLLEV
538 IEPEVLYAGY548 DSSVPDSTWR558 IMTTLNMLGG568 RQMIAAVKWA578 KAIPGFRNLH 588 LDDQMTLLQY598 SWMSLMAFAL608 GWRSYRQSSA618 NLLCFAPDLI628 INEQRMTLPD 638 MYDQCKHMLY648 VSSELHRLQV658 SYEEYLCMKT668 LLLLSSVPKD678 GLKSQALFDE 688 IRMTYIKELG698 KAIVKREGNS708 SQNSQRFYQL718 TKLLDSMHEV728 VENLLNYCFQ 738 TFLDKTMSIE748 FPEMLAEIIT758 NQIPKYSNGN768 IKKLLFHQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8W8 or .8W82 or .8W83 or :38W8;style chemicals stick;color identity;select .A:559 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE559
4.740
MET560
3.207
LEU563
3.293
ASN564
2.786
LEU566
3.620
GLY567
3.528
GLN570
3.248
TRP600
4.110
MET601
3.829
MET604
3.623
ALA607
3.273
LEU608
3.477
ARG611
3.306
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| Ligand Name: B-Octylglucoside | Ligand Info | |||||
| Structure Description | Crystal structure of a dimer complex of the human glucocorticoid receptor ligand-binding domain bound to dexamethasone and a TIF2 coactivator motif | PDB:1M2Z | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [4] |
| PDB Sequence |
ATLPQLTPTL
532 VSLLEVIEPE542 VLYAGYDSSV552 PDSTWRIMTT562 LNMLGGRQVI572 AAVKWAKAIP 582 GFRNLHLDDQ592 MTLLQYSWMS602 LMAFALGWRS612 YRQSSANLLC622 FAPDLIINEQ 632 RMTLPCMYDQ642 CKHMLYVSSE652 LHRLQVSYEE662 YLCMKTLLLL672 SSVPKDGLKS 682 QELFDEIRMT692 YIKELGKAIV702 KREGNSSQNW712 QRFYQLTKLL722 DSMHEVVENL 732 LNYCFQTFLD742 KTMSIEFPEM752 LAEIITNQIP762 KYSNGNIKKL772 LFHQK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:686 or .A:687 or .A:688 or .A:690 or .A:691 or .A:694 or .A:695 or .A:696 or .A:698 or .A:699 or .A:701 or .A:702 or .A:711 or .A:712 or .A:715 or .A:770 or .A:772 or .A:773; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Binary complex of 14-3-3 zeta with Glucocorticoid Receptor (GR) pS617 peptide | PDB:6YMO | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [7] |
| PDB Sequence |
SANL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .C:616 or .C:618 or .C:619; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Chaps | Ligand Info | |||||
| Structure Description | GR in complex with desisobutyrylciclesonide | PDB:4UDD | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [8] |
| PDB Sequence |
TPTLVSLLEV
538 IEPEVLYAGY548 DSSVPDSTWR558 IMTTLNMLGG568 RQMIAAVKWA578 KAIPGFRNLH 588 LDDQMTLLQY598 SWMSLMAFAL608 GWRSYRQSSA618 NLLCFAPDLI628 INEQRMTLPD 638 MYDQCKHMLY648 VSSELHRLQV658 SYEEYLCMKT668 LLLLSSVPKD678 GLKSQELFDE 688 IRMTYIKELG698 KAIVKREGNS708 SQNWQRFYQL718 TKLLDSMHEV728 VENLLNYCFQ 738 TFLDKTMSIE748 FPEMLAEIIT758 NQIPKYSNGN768 IKKLLFHQK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CPS or .CPS2 or .CPS3 or :3CPS;style chemicals stick;color identity;select .A:556 or .A:557 or .A:560 or .A:638 or .A:640 or .A:641 or .A:642 or .A:644 or .A:645 or .A:648 or .A:691 or .A:694 or .A:695 or .A:698 or .A:701 or .A:702 or .A:708 or .A:711 or .A:712 or .A:715 or .A:724 or .A:727 or .A:728 or .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:745 or .A:747; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR556
3.859
TRP557
3.921
MET560
4.049
ASP638
4.659
TYR640
2.963
ASP641
3.594
GLN642
3.557
LYS644
3.737
HIS645
3.672
TYR648
3.559
MET691
3.671
ILE694
4.213
LYS695
3.430
GLY698
3.915
ILE701
4.768
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Desisobutyrylciclesonide | Ligand Info | |||||
| Structure Description | GR in complex with desisobutyrylciclesonide | PDB:4UDD | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [8] |
| PDB Sequence |
TPTLVSLLEV
538 IEPEVLYAGY548 DSSVPDSTWR558 IMTTLNMLGG568 RQMIAAVKWA578 KAIPGFRNLH 588 LDDQMTLLQY598 SWMSLMAFAL608 GWRSYRQSSA618 NLLCFAPDLI628 INEQRMTLPD 638 MYDQCKHMLY648 VSSELHRLQV658 SYEEYLCMKT668 LLLLSSVPKD678 GLKSQELFDE 688 IRMTYIKELG698 KAIVKREGNS708 SQNWQRFYQL718 TKLLDSMHEV728 VENLLNYCFQ 738 TFLDKTMSIE748 FPEMLAEIIT758 NQIPKYSNGN768 IKKLLFHQK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CV7 or .CV72 or .CV73 or :3CV7;style chemicals stick;color identity;select .A:556 or .A:559 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:621 or .A:623 or .A:629 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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THR556
4.647
ILE559
4.019
MET560
3.464
LEU563
3.477
ASN564
3.065
LEU566
4.120
GLY567
3.661
GLN570
3.060
TRP600
4.059
MET601
3.779
MET604
3.782
ALA605
4.180
LEU608
4.253
ARG611
2.842
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| Ligand Name: N-[(1R,2S)-1-(2-bromo-4-cyanophenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-difluoropropanamide | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor in complex with compound 31 | PDB:6EL7 | ||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | Yes | [6] |
| PDB Sequence |
PTLVSLLEVI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QMIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMSLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQALFDEI 689 RMTYIKELGK699 AIVKREGNSS709 QNSQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B9T or .B9T2 or .B9T3 or :3B9T;style chemicals stick;color identity;select .A:559 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:629 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE559
4.690
MET560
3.616
LEU563
3.067
ASN564
2.811
LEU566
3.414
GLY567
3.680
GLN570
2.900
TRP600
3.970
MET601
3.421
MET604
3.857
ALA605
4.165
LEU608
4.805
ARG611
2.998
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| Ligand Name: 2,2,2-Trifluoro-N-[(1r,2s)-1-{[1-(4-Fluorophenyl)-1h-Indazol-5-Yl]oxy}-1-Phenylpropan-2-Yl]acetamide | Ligand Info | |||||
| Structure Description | Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | PDB:5G5W | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [9] |
| PDB Sequence |
PTLVSLLEVI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QMIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMSLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQELFDEI 689 RMTYIKELGK699 AIVKREGNSS709 QNWQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R8C or .R8C2 or .R8C3 or :3R8C;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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MET560
3.173
LEU563
3.175
ASN564
2.758
LEU566
3.499
GLY567
3.365
GLN570
3.255
TRP600
4.225
MET601
3.703
MET604
3.544
ALA607
3.221
LEU608
3.401
ARG611
3.295
|
|||||
| Ligand Name: N-[(2s)-1-[[1-(4-Fluorophenyl)indazol-4-Yl]amino]propan-2-Yl]-2,4,6-Trimethyl-Benzenesulfonamide | Ligand Info | |||||
| Structure Description | The discovery of potent selective glucocorticoid receptor modulators, suitable for inhalation | PDB:4CSJ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [10] |
| PDB Sequence |
PTLVSLLEVI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QMIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMSLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQELFDEI 689 RMTYIKELGK699 AIVKREGNSS709 QNWQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NN7 or .NN72 or .NN73 or :3NN7;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:749 or .A:753; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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MET560
3.756
LEU563
3.016
ASN564
2.744
LEU566
3.681
GLY567
3.602
GLN570
3.379
TRP600
4.058
MET601
3.372
MET604
3.355
ALA605
4.510
ALA607
3.258
LEU608
3.464
ARG611
3.125
|
|||||
| Ligand Name: 5-[[(1s,2r,4r)-4-Ethyl-6,7-Bis(Fluoranyl)-2,5-Bis(Oxidanyl)-2-(Trifluoromethyl)-3,4-Dihydro-1h-Naphthalen-1-Yl]amino]-1h-Quinolin-2-One | Ligand Info | |||||
| Structure Description | Discovery of New Selective Glucocorticoid Receptor Agonist Leads | PDB:5G3J | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [11] |
| PDB Sequence |
TPTLVSLLEV
538 IEPEVLYAGY548 DSSVPDSTWR558 IMTTLNMLGG568 RQMIAAVKWA578 KAIPGFRNLH 588 LDDQMTLLQY598 SWMSLMAFAL608 GWRSYRQSSA618 NLLCFAPDLI628 INEQRMTLPD 638 MYDQCKHMLY648 VSSELHRLQV658 SYEEYLCMKT668 LLLLSSVPKD678 GLKSQELFDE 688 IRMTYIKELG698 KAIVKREGNS708 SQNWQRFYQL718 TKLLDSMHEV728 VENLLNYCFQ 738 TFLDKTMSIE748 FPEMLAEIIT758 NQIPKYSNGN768 IKKLLFHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E7T or .E7T2 or .E7T3 or :3E7T;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:621 or .A:623 or .A:629 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.235
LEU563
3.359
ASN564
2.705
LEU566
3.871
GLY567
3.760
GLN570
3.229
TRP600
3.619
MET601
3.286
MET604
3.326
ALA605
3.760
LEU608
3.963
ARG611
3.111
LEU621
4.970
|
|||||
| Ligand Name: N-((1R,2S)-1-((1-(4-fluorophenyl)-1H-indazol-5-yl)oxy)-1-(6-methoxypyridin-3-yl)propan-2-yl)cyclopropanecarboxamide | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor in complex with compound 4 | PDB:6EL6 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [6] |
| PDB Sequence |
PTLVSLLEVI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QMIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMSLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQELFDEI 689 RMTYIKELGK699 AIVKREGNSS709 QNWQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B9Q or .B9Q2 or .B9Q3 or :3B9Q;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:749 or .A:753; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.760
LEU563
3.300
ASN564
2.776
LEU566
3.560
GLY567
3.478
GLN570
3.294
TRP600
4.107
MET601
3.569
MET604
3.459
ALA607
3.347
LEU608
3.412
ARG611
3.285
|
|||||
| Ligand Name: Hexyl beta-D-glucopyranoside | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | PDB:3K22 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [12] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMYLMA605 FALGWRSYRQ615 SANLLCFAPD626 LIINEQRMTL 636 PGMYDQCKHM646 LYVSSELHRL656 QVSYEEYLCM666 KTLLLLSSVP676 KDGLKSQELF 686 DEIRMTYIKE696 LGKAIVKREG706 NSSQNWQRFY716 QLTKLLDSMH726 EVVENLLNYC 736 FQTFLDKTMS746 IEFPEMLAEI756 ITNQIPKYSN766 GNIKKLLFHQ776 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JZR or .JZR2 or .JZR3 or :3JZR;style chemicals stick;color identity;select .A:556 or .A:560 or .A:563 or .A:637 or .A:638 or .A:639 or .A:642 or .A:643 or .A:646 or .A:735 or .A:739 or .A:745; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[(1r)-2-Amino-1-Methyl-2-Oxoethyl]-3-(6-Methyl-4-{[3,3,3-Trifluoro-2-Hydroxy-2-(Trifluoromethyl)propyl]amino}-1h-Indazol-1-Yl)benzamide | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide | PDB:3K22 | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [12] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMYLMA605 FALGWRSYRQ615 SANLLCFAPD626 LIINEQRMTL 636 PGMYDQCKHM646 LYVSSELHRL656 QVSYEEYLCM666 KTLLLLSSVP676 KDGLKSQELF 686 DEIRMTYIKE696 LGKAIVKREG706 NSSQNWQRFY716 QLTKLLDSMH726 EVVENLLNYC 736 FQTFLDKTMS746 IEFPEMLAEI756 ITNQIPKYSN766 GNIKKLLFHQ776 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JZS or .JZS2 or .JZS3 or :3JZS;style chemicals stick;color identity;select .A:540 or .A:541 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:568 or .A:570 or .A:571 or .A:573 or .A:574 or .A:577 or .A:600 or .A:601 or .A:603 or .A:604 or .A:605 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:646 or .A:663 or .A:667 or .A:732 or .A:735 or .A:736 or .A:749 or .A:753; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU540
3.472
PRO541
3.604
MET560
4.371
LEU563
3.056
ASN564
2.700
LEU566
3.535
GLY567
3.557
GLY568
4.842
GLN570
2.902
VAL571
4.989
ALA573
4.025
ALA574
3.588
TRP577
4.958
TRP600
3.548
MET601
3.552
LEU603
3.769
|
|||||
| Ligand Name: 1-{[3-(4-{[(2r)-4-(5-Fluoro-2-Methoxyphenyl)-2-Hydroxy-4-Methyl-2-(Trifluoromethyl)pentyl]amino}-6-Methyl-1h-Indazol-1-Yl)phenyl]carbonyl}-D-Prolinamide | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor with Bound D-prolinamide 11 | PDB:3K23 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [12] |
| PDB Sequence |
LPQLTPTLVS
534 LLEVIEPEVL544 YAGYDSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMYLMA605 FALGWRSYRQ615 SSANLLCFAP625 DLIINEQGMY 640 DQCKHMLYVS650 SELHRLQVSY660 EEYLCMKTLL670 LLSSVPKDGL680 KSQELFDEIR 690 MTYIKELGKA700 IVKREGNSSQ710 NWQRFYQLTK720 LLDSMHEVVE730 NLLNYCFQTF 740 LDKMSIEFPE751 MLAEIITNQI761 PKYSNGNIKK771 LLFHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JZN or .JZN2 or .JZN3 or :3JZN;style chemicals stick;color identity;select .A:540 or .A:541 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:571 or .A:573 or .A:574 or .A:600 or .A:601 or .A:603 or .A:604 or .A:605 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:639 or .A:642 or .A:646 or .A:663 or .A:667 or .A:732 or .A:735 or .A:736 or .A:739 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLU540
3.433
PRO541
2.863
MET560
3.651
LEU563
2.516
ASN564
2.959
LEU566
3.581
GLY567
3.992
GLN570
2.963
VAL571
4.840
ALA573
4.355
ALA574
4.118
TRP600
4.272
MET601
3.641
LEU603
3.359
MET604
3.270
ALA605
3.692
|
|||||
| Ligand Name: N-{3-[(1z)-1-(10-Methoxydibenzo[b,E]oxepin-11(6h)-Ylidene)propyl]phenyl}methanesulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide | PDB:4LSJ | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [13] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMYLMA605 FALGWRSYRQ615 SSANLLCFAP625 DLIINEQRMT 635 LPGMYDQCKH645 MLYVSSELHR655 LQVSYEEYLC665 MKTLLLLSSV675 PKDGLKSQEL 685 FDEIRMTYIK695 ELGKAIVNWQ713 RFYQLTKLLD723 SMHEVVENLL733 NYCFQTFLDK 743 TMSIEFPEML753 AEIITNQIPK763 YSNGNIKKLL773 FHQK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LSJ or .LSJ2 or .LSJ3 or :3LSJ;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:639 or .A:642 or .A:643 or .A:646 or .A:712 or .A:713 or .A:715 or .A:716 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753 or .A:775; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.961
LEU563
3.320
ASN564
2.631
LEU566
3.738
GLY567
3.793
GLN570
3.454
TRP600
3.741
MET601
3.454
MET604
3.483
ALA605
4.366
LEU608
3.567
ARG611
4.232
PHE623
3.586
MET639
3.590
GLN642
4.107
|
|||||
| Ligand Name: N-[2-{[benzyl(Methyl)amino]methyl}-3-(4-Fluoro-2-Methoxyphenyl)-5-(Propan-2-Yl)-1h-Indol-7-Yl]methanesulfonamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12 | PDB:4MDD | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [14] |
| PDB Sequence |
PTLVSALETI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QVIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMYLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQALFDAI 689 RMTYIKELGK699 AIVKREGNSS709 QNSQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29M or .29M2 or .29M3 or :329M;style chemicals stick;color identity;select .A:559 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:568 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:623 or .A:634 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:733 or .A:735 or .A:736 or .A:737 or .A:739 or .A:740 or .A:744; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE559
4.756
MET560
3.222
LEU563
3.394
ASN564
3.093
LEU566
3.963
GLY567
3.733
GLY568
4.392
GLN570
3.624
TRP600
3.712
MET601
3.713
MET604
3.006
ALA605
3.399
LEU608
3.582
PHE623
3.727
|
|||||
| Ligand Name: (8S,11R,13S,14S,17S)-11-[4-(dimethylamino)phenyl]-17-(3,3-dimethylbut-1-yn-1-yl)-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name) | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor in complex with Compound 11 | PDB:6DXK | ||||
| Method | X-ray diffraction | Resolution | 3.05 Å | Mutation | Yes | [15] |
| PDB Sequence |
PTLVSALETI
539 EPEVLYAGYD549 SSVPDSTWRI559 MTTLNMLGGR569 QVIAAVKWAK579 AIPGFRNLHL 589 DDQMTLLQYS599 WMYLMAFALG609 WRSYRQSSAN619 LLCFAPDLII629 NEQRMTLPDM 639 YDQCKHMLYV649 SSELHRLQVS659 YEEYLCMKTL669 LLLSSVPKDG679 LKSQALFDAI 689 RMTYIKELGK699 AIVKREGNSS709 QNSQRFYQLT719 KLLDSMHEVV729 ENLLNYCFQT 739 FLDKTMSIEF749 PEMLAEIITN759 QIPKYSNGNI769 KKLLFHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HJ4 or .HJ42 or .HJ43 or :3HJ4;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:568 or .A:570 or .A:571 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:634 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:757 or .A:758 or .A:761; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.407
LEU563
3.747
ASN564
3.770
LEU566
3.948
GLY567
3.830
GLY568
3.560
GLN570
2.874
VAL571
4.940
TRP600
3.973
MET601
3.970
MET604
3.559
ALA605
4.140
LEU608
3.996
|
|||||
| Ligand Name: 5-Amino-N-[(2s)-2-({[(2,6-Dichlorophenyl)carbonyl](Ethyl)amino}methyl)-3,3,3-Trifluoro-2-Hydroxypropyl]-1-(4-Fluorophenyl)-1h-Pyrazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | Glucocorticoid Receptor LBD bound to GSK866 | PDB:3E7C | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [16] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMYLMA605 FALGWRSYRQ615 NLLCFAPDLI628 INEQRMTLPG 638 MYDQCKHMLY648 VSSELHRLQV658 SYEEYLCMKT668 LLLLSSVPKD678 GLKSQELFDE 688 IRMTYIKELG698 KAIVKREGNS708 SQNWQRFYQL718 TKLLDSMHEV728 VENLLNYCFQ 738 TFLDKTMSIE748 FPEMLAEIIT758 NQIPKYSNGN768 IKKLLFHQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .866 or .8662 or .8663 or :3866;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:568 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:638 or .A:639 or .A:642 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:749 or .A:753 or .A:757; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.772
LEU563
2.988
ASN564
2.708
LEU566
4.201
GLY567
3.627
GLY568
4.743
GLN570
3.082
TRP600
3.601
MET601
3.286
MET604
3.267
ALA605
4.299
ALA607
3.439
LEU608
3.806
ARG611
2.888
|
|||||
| Ligand Name: Deacylcortivazol | Ligand Info | |||||
| Structure Description | Doubling the Size of the Glucocorticoid Receptor Ligand Binding Pocket by Deacylcortivazol | PDB:3BQD | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [17] |
| PDB Sequence |
LPQLTPTLVS
534 LLEVIEPEVL544 YAGYDSSVPD554 STWRIMTTLN564 MLGGRQVIAA574 VKWAKAIPGF 584 RNLHLDDQMT594 LLQYSWMSLM604 AFALGWRSYR614 QSSANLLCFA624 PDLIINEQRM 634 TLPCMYDQCK644 HMLYVSSELH654 RLQVSYEEYL664 CMKTLLLLSS674 VPKDGLKSQE 684 LFDEIRMTYI694 KELGKAIVKR704 EGNSSQNWQR714 FYQLTKLLDS724 MHEVVENLLN 734 YCFQTFLDKT744 MSIEFPEMLA754 EIITNQIPKY764 SNGNIKKLLF774 HQK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DAY or .DAY2 or .DAY3 or :3DAY;style chemicals stick;color identity;select .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:607 or .A:608 or .A:611 or .A:622 or .A:623 or .A:642 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
MET560
3.713
LEU563
3.146
ASN564
2.633
LEU566
3.386
GLY567
3.545
GLN570
3.209
TRP600
4.365
MET601
3.697
MET604
3.287
ALA605
3.610
ALA607
3.469
LEU608
3.235
|
|||||
| Ligand Name: Mometasone furoate | Ligand Info | |||||
| Structure Description | Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain | PDB:4P6W | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [5] |
| PDB Sequence |
PQLTPTLVSL
535 LEVIEPEVLY545 AGYDSSVPDS555 TWRIMTTLNM565 LGGRQVIAAV575 KWAKAIPGFR 585 NLHLDDQMTL595 LQYSWMALMA605 FALGWRSYRQ615 SSANLLYFAP625 DLIINEQRMT 635 LPCMYDQCKH645 MLYVSSELHR655 LQVSYEEYLC665 MKVLLLLSTI675 PKDGLKSQEL 685 FDEIRMTYIK695 ELGAAIVARE705 GNSSQNWQRF715 YQLTKLLDSM725 HEVVENLLNY 735 CFQTFLDKTM745 SIEFPEMLAE755 IITNQIPKYS765 NGNIKKLLFH775 QK |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MOF or .MOF2 or .MOF3 or :3MOF;style chemicals stick;color identity;select .A:559 or .A:560 or .A:563 or .A:564 or .A:566 or .A:567 or .A:570 or .A:600 or .A:601 or .A:604 or .A:605 or .A:608 or .A:611 or .A:623 or .A:629 or .A:638 or .A:639 or .A:642 or .A:643 or .A:646 or .A:732 or .A:735 or .A:736 or .A:739 or .A:747 or .A:749 or .A:753; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE559
4.909
MET560
3.089
LEU563
3.173
ASN564
2.678
LEU566
4.294
GLY567
3.495
GLN570
3.026
TRP600
3.671
MET601
3.698
MET604
3.688
ALA605
4.175
LEU608
4.581
ARG611
3.362
PHE623
3.696
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Selective Nonsteroidal Glucocorticoid Receptor Modulators for the Inhaled Treatment of Pulmonary Diseases. J Med Chem. 2017 Oct 26;60(20):8591-8605. | ||||
| REF 2 | X-ray crystal structure of the novel enhanced-affinity glucocorticoid agonist fluticasone furoate in the glucocorticoid receptor-ligand binding domain. J Med Chem. 2008 Jun 26;51(12):3349-52. | ||||
| REF 3 | Nuclear receptor | ||||
| REF 4 | Crystal structure of the glucocorticoid receptor ligand binding domain reveals a novel mode of receptor dimerization and coactivator recognition. Cell. 2002 Jul 12;110(1):93-105. | ||||
| REF 5 | Structures and mechanism for the design of highly potent glucocorticoids. Cell Res. 2014 Jun;24(6):713-26. | ||||
| REF 6 | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. J Med Chem. 2018 Mar 8;61(5):1785-1799. | ||||
| REF 7 | Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators. J Biol Chem. 2021 Jan-Jun;296:100551. | ||||
| REF 8 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints. Structure. 2015 Dec 1;23(12):2280-2290. | ||||
| REF 9 | Discovery of indazole ethers as novel, potent, non-steroidal glucocorticoid receptor modulators. Bioorg Med Chem Lett. 2016 Dec 1;26(23):5741-5748. | ||||
| REF 10 | The discovery of potent and selective non-steroidal glucocorticoid receptor modulators, suitable for inhalation. Bioorg Med Chem Lett. 2014 Jun 1;24(11):2571-7. | ||||
| REF 11 | Discovery of new selective glucocorticoid receptor agonist leads. Bioorg Med Chem Lett. 2017 Feb 1;27(3):437-442. | ||||
| REF 12 | Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor. Proc Natl Acad Sci U S A. 2009 Oct 27;106(43):18114-9. | ||||
| REF 13 | Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design. J Med Chem. 2014 Feb 13;57(3):849-60. | ||||
| REF 14 | Crystal Structure of the Glucocorticoid Receptor Bound to a Non-steroidal Antagonist Reveals Repositioning and Partial Disordering of Activation Function Helix 12 | ||||
| REF 15 | Discovery of a Potent and Selective Steroidal Glucocorticoid Receptor Antagonist (ORIC-101). J Med Chem. 2018 Sep 13;61(17):7767-7784. | ||||
| REF 16 | The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6097-9. | ||||
| REF 17 | Doubling the size of the glucocorticoid receptor ligand binding pocket by deacylcortivazol. Mol Cell Biol. 2008 Mar;28(6):1915-23. | ||||
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