8XU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xu5 by Molmil](/molmil-images/mine/8xu5) | |
8W07
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w07 by Molmil](/molmil-images/mine/8w07) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-402 | Descriptor: | (1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, (1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.K, Nettles, K.W. | Deposit date: | 2024-02-13 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VKZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vkz by Molmil](/molmil-images/mine/8vkz) | Crystal structure of Glucocorticoid Receptor in complex with an inhibitor | Descriptor: | (4aR,4bS,5R,6aS,6bS,8R,9aR,10aR,10bR)-8-{4-[(3-aminophenyl)methyl]phenyl}-5-hydroxy-6b-(hydroxyacetyl)-4a,6a-dimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, Glucocorticoid receptor, Nuclear receptor coactivator 2 | Authors: | Judge, R.A, Hobson, A.D. | Deposit date: | 2024-01-10 | Release date: | 2024-01-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | Minimising the payload solvent exposed hydrophobic surface area optimises the antibody-drug conjugate properties. Rsc Med Chem, 15, 2024
|
|
8VZ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vz0 by Molmil](/molmil-images/mine/8vz0) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-400 | Descriptor: | (1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VZ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vz1 by Molmil](/molmil-images/mine/8vz1) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-409 | Descriptor: | 4,4'-[(1S,4S,5R)-5-(6-methoxy-3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
8VZP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vzp by Molmil](/molmil-images/mine/8vzp) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403 | Descriptor: | (1S,2R,4S)-N-(2-hydroxyethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-12 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
9EZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9ez2 by Molmil](/molmil-images/mine/9ez2) | Vitamin D receptor complex with 1,4b,25-trihydroxyvitamin D3 | Descriptor: | 1,4b,25-trihydroxyvitamin D3, ACETATE ION, Nuclear receptor coactivator 2, ... | Authors: | Rochel, N. | Deposit date: | 2024-04-10 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 4-Hydroxy-1 alpha ,25-Dihydroxyvitamin D 3 : Synthesis and Structure-Function Study. Biomolecules, 14, 2024
|
|
9F7X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f7x by Molmil](/molmil-images/mine/9f7x) | |
8VYT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vyt by Molmil](/molmil-images/mine/8vyt) | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-411 | Descriptor: | 4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol, Estrogen receptor | Authors: | Min, C.K, Nwachukwu, J.C, Hou, Y, Russo, R.J, Papa, A, Min, J, Peng, R, Kim, S.H, Ziegler, Y, Rangarajan, E.S, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2024-02-09 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Asymmetric allostery in estrogen receptor-alpha homodimers drives responses to the ensemble of estrogens in the hormonal milieu. Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
9F7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9f7w by Molmil](/molmil-images/mine/9f7w) | |
8WFE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wfe by Molmil](/molmil-images/mine/8wfe) | The Crystal Structure of PPARg from Biortus. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, F, Cheng, W, Lv, Z, Guo, S, Lin, D. | Deposit date: | 2023-09-19 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of PPARg from Biortus. To Be Published
|
|
9BQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bqe by Molmil](/molmil-images/mine/9bqe) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone | Descriptor: | Estrogen receptor, [(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Authors: | Young, K.Y, Fanning, S.W. | Deposit date: | 2024-05-09 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with (6'-hydroxy-1'-(4-(2-(1-propylpyrrolidin-3-yl)ethoxy)phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl)(phenyl)methanone To Be Published
|
|
9BU1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bu1 by Molmil](/molmil-images/mine/9bu1) | |
9EYR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9eyr by Molmil](/molmil-images/mine/9eyr) | VDR complex with gemini analog UG-480 | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{R})-5-methyl-1-[(1~{S},2~{S})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N. | Deposit date: | 2024-04-09 | Release date: | 2024-06-19 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Design, Synthesis, and Biological Evaluation of New Type of Gemini Analogues with a Cyclopropane Moiety in Their Side Chain. J.Med.Chem., 67, 2024
|
|
6Q7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q7a by Molmil](/molmil-images/mine/6q7a) | |
6Q2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q2w by Molmil](/molmil-images/mine/6q2w) | Crystal structure of human ROR gamma LBD in complex with a quinoline sulfonamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Ciesielski, F, Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2018-12-03 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Discovery of novel quinoline sulphonamide derivatives as potent, selective and orally active ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 29, 2019
|
|
6Q6O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q6o by Molmil](/molmil-images/mine/6q6o) | |
6Q7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q7h by Molmil](/molmil-images/mine/6q7h) | |
7SQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sqb by Molmil](/molmil-images/mine/7sqb) | PPAR gamma LBD bound to Inverse Agonist SR10221 | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-11-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol., 18, 2023
|
|
7SQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sqa by Molmil](/molmil-images/mine/7sqa) | PPAR gamma LBD bound to SR10221 and SMRT corepressor motif | Descriptor: | (2S)-2-{5-[(5-{[(1S)-1-(4-tert-butylphenyl)ethyl]carbamoyl}-2,3-dimethyl-1H-indol-1-yl)methyl]-2-chlorophenoxy}propanoic acid, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma | Authors: | Frkic, R.L, Pederick, J.L, Bruning, J.B. | Deposit date: | 2021-11-05 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | PPAR gamma Corepression Involves Alternate Ligand Conformation and Inflation of H12 Ensembles. Acs Chem.Biol., 18, 2023
|
|
6PSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6psj by Molmil](/molmil-images/mine/6psj) | |
6QJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qj5 by Molmil](/molmil-images/mine/6qj5) | X-ray structure of PPARgamma LBD with the ligand NV1380 | Descriptor: | (2~{S})-3-methyl-2-[(4-octoxyphenyl)carbonylamino]butanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R, Capelli, D. | Deposit date: | 2019-01-22 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Novel N-Substituted Valine Derivative with Unique Peroxisome Proliferator-Activated Receptor gamma Binding Properties and Biological Activities. J.Med.Chem., 63, 2020
|
|
7UW2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uw2 by Molmil](/molmil-images/mine/7uw2) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | Deposit date: | 2022-05-02 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
|
|
7UW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uw4 by Molmil](/molmil-images/mine/7uw4) | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | Descriptor: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | Authors: | Chattopadhyay, D, Yang, Z, Atigadda, V. | Deposit date: | 2022-05-02 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers. J.Med.Chem., 65, 2022
|
|
6S4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s4u by Molmil](/molmil-images/mine/6s4u) | LXRbeta ligand binding domain in comlpex with small molecule inhibitors | Descriptor: | 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide, Oxysterols receptor LXR-beta | Authors: | Sandmark, J, Jansson, A. | Deposit date: | 2019-06-28 | Release date: | 2019-11-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Structural analysis identifies an escape route from the adverse lipogenic effects of liver X receptor ligands. Commun Biol, 2, 2019
|
|