2N2H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n2h by Molmil](/molmil-images/mine/2n2h) | Solution structure of Sds3 in complex with Sin3A | Descriptor: | Paired amphipathic helix protein Sin3a, Sin3 histone deacetylase corepressor complex component SDS3 | Authors: | Clark, M, Radhakrishnan, I. | Deposit date: | 2015-05-08 | Release date: | 2015-07-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights into the assembly of the histone deacetylase-associated Sin3L/Rpd3L corepressor complex. Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
6V1Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v1y by Molmil](/molmil-images/mine/6v1y) | Cryo-EM Structure of the Hyperpolarization-Activated Potassium Channel KAT1: Octamer | Descriptor: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate, (3beta,5beta,14beta,17alpha)-cholestan-3-ol, Potassium channel KAT1 | Authors: | Clark, M.D, Contreras, G.F, Shen, R, Perozo, E. | Deposit date: | 2019-11-21 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Electromechanical coupling in the hyperpolarization-activated K + channel KAT1. Nature, 583, 2020
|
|
6V1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v1x by Molmil](/molmil-images/mine/6v1x) | Cryo-EM Structure of the Hyperpolarization-Activated Potassium Channel KAT1: Tetramer | Descriptor: | (2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate, (3beta,5beta,14beta,17alpha)-cholestan-3-ol, Potassium channel KAT1 | Authors: | Clark, M.D, Contreras, G.F, Shen, R, Perozo, E. | Deposit date: | 2019-11-21 | Release date: | 2020-06-03 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Electromechanical coupling in the hyperpolarization-activated K + channel KAT1. Nature, 583, 2020
|
|
6RY9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ry9 by Molmil](/molmil-images/mine/6ry9) | |
6S2D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s2d by Molmil](/molmil-images/mine/6s2d) | |
2MSL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2msl by Molmil](/molmil-images/mine/2msl) | |
2MSK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2msk by Molmil](/molmil-images/mine/2msk) | |
8C65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8c65 by Molmil](/molmil-images/mine/8c65) | |
1YWR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ywr by Molmil](/molmil-images/mine/1ywr) | Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor | Descriptor: | 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14 | Authors: | Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J. | Deposit date: | 2005-02-18 | Release date: | 2005-05-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The development of monocyclic pyrazolone based cytokine synthesis inhibitors. Bioorg.Med.Chem.Lett., 15, 2005
|
|
6OBA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6oba by Molmil](/molmil-images/mine/6oba) | The beta2 adrenergic receptor bound to a negative allosteric modulator | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ... | Authors: | Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor. Nat.Chem.Biol., 16, 2020
|
|
7XK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xk9 by Molmil](/molmil-images/mine/7xk9) | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
|
|
5ZHP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zhp by Molmil](/molmil-images/mine/5zhp) | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | Deposit date: | 2018-03-13 | Release date: | 2018-11-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
7XKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xka by Molmil](/molmil-images/mine/7xka) | Structure of human beta2 adrenergic receptor bound to constrained epinephrine | Descriptor: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
|
|
7S9E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9e by Molmil](/molmil-images/mine/7s9e) | Cryo-EM Structure of dolphin Prestin: Inhibited II (Sulfate +Salicylate) state | Descriptor: | 2-HYDROXYBENZOIC ACID, Prestin | Authors: | Bavi, N, Clark, M.D, Contreras, G.F, Shen, R, Reddy, B.G, Milewski, W, Perozo, E. | Deposit date: | 2021-09-20 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | The conformational cycle of prestin underlies outer-hair cell electromotility. Nature, 600, 2021
|
|
7S8X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s8x by Molmil](/molmil-images/mine/7s8x) | Cryo-EM Structure of dolphin Prestin: Sensor Up (compact) state | Descriptor: | Prestin | Authors: | Bavi, N, Clark, M.D, Contreras, G.F, Shen, R, Reddy, B.G, Milewski, W, Perozo, E. | Deposit date: | 2021-09-20 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The conformational cycle of prestin underlies outer-hair cell electromotility. Nature, 600, 2021
|
|
7S9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9c by Molmil](/molmil-images/mine/7s9c) | Cryo-EM Structure of dolphin Prestin: Sensor Down II (Expanded II) state | Descriptor: | Prestin | Authors: | Bavi, N, Clark, M.D, Contreras, G.F, Shen, R, Reddy, B.G, Milewski, W, Perozo, E. | Deposit date: | 2021-09-20 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | The conformational cycle of prestin underlies outer-hair cell electromotility. Nature, 600, 2021
|
|
7S9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9d by Molmil](/molmil-images/mine/7s9d) | Cryo-EM Structure of dolphin Prestin: Intermediate state | Descriptor: | Prestin | Authors: | Bavi, N, Clark, M.D, Contreras, G.F, Shen, R, Reddy, B.G, Milewski, W, Perozo, E. | Deposit date: | 2021-09-20 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | The conformational cycle of prestin underlies outer-hair cell electromotility. Nature, 600, 2021
|
|
7S9A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9a by Molmil](/molmil-images/mine/7s9a) | Cryo-EM Structure of dolphin Prestin: Inhibited I (Chloride + Salicylate) | Descriptor: | 2-HYDROXYBENZOIC ACID, Prestin | Authors: | Bavi, N, Clark, M.D, Contreras, G.F, Shen, R, Reddy, B.G, Milewski, W, Perozo, E. | Deposit date: | 2021-09-20 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | The conformational cycle of prestin underlies outer-hair cell electromotility. Nature, 600, 2021
|
|
7S9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s9b by Molmil](/molmil-images/mine/7s9b) | Cryo-EM Structure of dolphin Prestin: Sensor Down I (Expanded) state | Descriptor: | Prestin | Authors: | Bavi, N, Clark, M.D, Contreras, G.F, Shen, R, Reddy, B.G, Milewski, W, Perozo, E. | Deposit date: | 2021-09-20 | Release date: | 2021-11-03 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The conformational cycle of prestin underlies outer-hair cell electromotility. Nature, 600, 2021
|
|
7BVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bvq by Molmil](/molmil-images/mine/7bvq) | Structure of human beta1 adrenergic receptor bound to carazolol | Descriptor: | (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
|
|
7BU6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bu6 by Molmil](/molmil-images/mine/7bu6) | Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
|
|
7BTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bts by Molmil](/molmil-images/mine/7bts) | Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-02 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
|
|
7BU7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bu7 by Molmil](/molmil-images/mine/7bu7) | Structure of human beta1 adrenergic receptor bound to BI-167107 and nanobody 6B9 | Descriptor: | (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, ... | Authors: | Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X. | Deposit date: | 2020-04-04 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR. Cell Res., 31, 2021
|
|
4ZQA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zqa by Molmil](/molmil-images/mine/4zqa) | |
3HA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ha6 by Molmil](/molmil-images/mine/3ha6) | Crystal structure of aurora A in complex with TPX2 and compound 10 | Descriptor: | N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2 | Authors: | Zhao, B, Clark, M.A. | Deposit date: | 2009-05-01 | Release date: | 2009-08-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
|
|