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6UVS
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BU of 6uvs by Molmil
Human Connexin-26 (Low pH open conformation)
Descriptor: Gap junction beta-2 protein
Authors:Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
Deposit date:2019-11-04
Release date:2020-04-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
6UVR
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BU of 6uvr by Molmil
Human Connexin-26 (Neutral pH open conformation)
Descriptor: Gap junction beta-2 protein
Authors:Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
Deposit date:2019-11-04
Release date:2020-04-29
Last modified:2020-05-06
Method:ELECTRON MICROSCOPY (4 Å)
Cite:A Steric "Ball-and-Chain" Mechanism for pH-Mediated Regulation of Gap Junction Channels.
Cell Rep, 31, 2020
6UVT
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BU of 6uvt by Molmil
Human Connexin-26 (Low pH closed conformation)
Descriptor: Gap junction beta-2 protein
Authors:Khan, A.K, Jagielnicki, M, Purdy, M.D, Yeager, M.
Deposit date:2019-11-04
Release date:2020-04-29
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:A Steric 'Ball-and-Chain' Mechanism for pH-Mediated Regulation of Gap Junction Channels
Cell Rep, 31, 2020
6VKV
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BU of 6vkv by Molmil
Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
Descriptor: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2020-01-22
Release date:2020-10-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
6VWS
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BU of 6vws by Molmil
Hexamer of Helical HIV capsid by RASTR method
Descriptor: HIV capsid protein
Authors:Zhao, H, Iqbal, N, Asturias, F, Kvaratskhelia, M, Vanblerkom, P.
Deposit date:2020-02-20
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.08 Å)
Cite:Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
7JHG
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BU of 7jhg by Molmil
Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K.
Deposit date:2020-07-20
Release date:2021-07-21
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
7JHH
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BU of 7jhh by Molmil
Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K.
Deposit date:2020-07-20
Release date:2021-07-21
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
7JIJ
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BU of 7jij by Molmil
ATP-bound AMP-activated protein kinase
Descriptor: 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ...
Authors:Yan, Y, Zhou, X.E, Powell, K, Xu, T, Brunzelle, J.S, Xu, H.X, Melcher, K.
Deposit date:2020-07-23
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Structure of an AMPK complex in an inactive, ATP-bound state.
Science, 373, 2021
6WMS
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BU of 6wms by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID2 Peptide
Descriptor: NCOR isoform c, Nuclear receptor Rev-ErbA beta variant 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mosure, S.A, Shang, J, Kojetin, D.J.
Deposit date:2020-04-21
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
6WMQ
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BU of 6wmq by Molmil
Crystal Structure of Human REV-ERBbeta Ligand Binding Domain Co-Bound to Heme and NCoR ID1 Peptide
Descriptor: Nuclear receptor Rev-ErbA beta variant 1, Nuclear receptor corepressor 1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Mosure, S.A, Shang, J, Kojetin, D.J.
Deposit date:2020-04-21
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural basis for heme-dependent NCoR binding to the transcriptional repressor REV-ERB beta.
Sci Adv, 7, 2021
6ONJ
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BU of 6onj by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with TRAP220 peptide and agonist rosiglitazone
Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Mediator of RNA polymerase II transcription subunit 1, ...
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6O68
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BU of 6o68 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
Descriptor: Ciglitazone, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
Descriptor: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ONI
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BU of 6oni by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with N-CoR peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, NCOR isoform c, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-04-22
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
6PDZ
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BU of 6pdz by Molmil
Crystal structure of PPARgamma ligand binding domain in complex with SMRT peptide and inverse agonist T0070907
Descriptor: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, Nuclear receptor corepressor 2, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-06-19
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular switch regulating transcriptional repression and activation of PPAR gamma.
Nat Commun, 11, 2020
7SNQ
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BU of 7snq by Molmil
Hexamer HIV-1 CA in complex with CPSF6 peptide and IP6 ligand
Descriptor: CHLORIDE ION, Capsid protein p24, Cleavage and polyadenylation specificity factor subunit 6, ...
Authors:Bester, S.M, Kvaratskhelia, M.
Deposit date:2021-10-28
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.
Nat Commun, 13, 2022
7SQA
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BU of 7sqa by Molmil
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
7SQB
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BU of 7sqb by Molmil
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
5SYZ
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BU of 5syz by Molmil
Human Liver Receptor Homologue-1 (LRH-1) Bound to a RJW100 stereoisomer and a Fragment of TIF-2
Descriptor: (1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Ortlund, E.A, Mays, S.G.
Deposit date:2016-08-12
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9261 Å)
Cite:Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
5TO5
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BU of 5to5 by Molmil
Structure of the TPR oligomerization domain
Descriptor: Nucleoprotein TPR
Authors:Pal, K, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E.
Deposit date:2016-10-16
Release date:2017-10-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
5TO6
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BU of 5to6 by Molmil
Structure of the TPR oligomerization domain
Descriptor: Nucleoprotein TPR
Authors:Pal, K, Bandyopadhyay, A, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E.
Deposit date:2016-10-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
5TO7
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BU of 5to7 by Molmil
Structure of the TPR oligomerization domain
Descriptor: Nucleoprotein TPR
Authors:Pal, K, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E.
Deposit date:2016-10-16
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
7TT8
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BU of 7tt8 by Molmil
Human LRH-1 LBD bound to agonist 6N-10CA and fragment of Tif2 coactivator
Descriptor: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
Authors:Cato, M.L, Ortlund, E.A.
Deposit date:2022-01-31
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Differential Modulation of Nuclear Receptor LRH-1 through Targeting Buried and Surface Regions of the Binding Pocket.
J.Med.Chem., 65, 2022
5TVB
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BU of 5tvb by Molmil
Structure of the TPR oligomerization domain
Descriptor: Nucleoprotein TPR
Authors:Pal, K, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E.
Deposit date:2016-11-08
Release date:2017-09-20
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
5UNJ
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BU of 5unj by Molmil
Structure of Human Liver Receptor Homolog 1 in complex with PGC1a and RJW100
Descriptor: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Peroxisome proliferator-activated gamma coactivator 1-alpha
Authors:Mays, S.G, Ortlund, E.A.
Deposit date:2017-01-31
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.959 Å)
Cite:Structure and Dynamics of the Liver Receptor Homolog 1-PGC1 alpha Complex.
Mol. Pharmacol., 92, 2017

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