1DVZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dvz by Molmil](/molmil-images/mine/1dvz) | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | 分子名称: | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID, TRANSTHYRETIN | 著者 | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | 登録日 | 2000-01-23 | 公開日 | 2001-01-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of potent human transthyretin amyloid disease inhibitors. Nat.Struct.Biol., 7, 2000
|
|
6VRU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vru by Molmil](/molmil-images/mine/6vru) | PIM-inhibitor complex 1 | 分子名称: | 3,4-dichloro-2-cyclopropyl-1-[(piperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide, ACETATE ION, IMIDAZOLE, ... | 著者 | Barberis, C.E, Batchelor, J.D, Mechin, I, Liu, J. | 登録日 | 2020-02-10 | 公開日 | 2020-11-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Discovery of SARxxxx92, a pan-PIM kinase inhibitor, efficacious in a KG1 tumor model. Bioorg.Med.Chem.Lett., 30, 2020
|
|
4LDD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ldd by Molmil](/molmil-images/mine/4ldd) | |
4LDM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ldm by Molmil](/molmil-images/mine/4ldm) | |
8D9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8d9n by Molmil](/molmil-images/mine/8d9n) | CryoEM structures of bAE1 captured in multiple states. | 分子名称: | Anion exchange protein | 著者 | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | 登録日 | 2022-06-10 | 公開日 | 2023-01-25 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
|
|
6WBS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6wbs by Molmil](/molmil-images/mine/6wbs) | Human CFTR first nucleotide binding domain with dF508/V510D | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | 著者 | Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D. | 登録日 | 2020-03-27 | 公開日 | 2021-04-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.857 Å) | 主引用文献 | Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect To Be Published
|
|
6TAM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tam by Molmil](/molmil-images/mine/6tam) | |
6TAN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tan by Molmil](/molmil-images/mine/6tan) | X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 17) | 分子名称: | 7-(2-fluoranyl-6-oxidanyl-phenyl)-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-2,6-naphthyridin-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Hillig, R.C, Eis, K, Badock, V. | 登録日 | 2019-10-30 | 公開日 | 2020-04-08 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Computationally Empowered Workflow Identifies Novel Covalent Allosteric Binders for KRASG12C. Chemmedchem, 15, 2020
|
|
7W6P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w6p by Molmil](/molmil-images/mine/7w6p) | Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a G protein biased agonist | 分子名称: | Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Xu, J, Fink, E.A, Shoichet, B.K, Du, Y. | 登録日 | 2021-12-02 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-12 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor. Science, 377, 2022
|
|
7W7E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7w7e by Molmil](/molmil-images/mine/7w7e) | Cryo-EM structure of the alpha2A adrenergic receptor GoA signaling complex bound to a biased agonist | 分子名称: | 5-(3-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,2,3,6-tetrahydropyridine, Alpha-2A adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | 著者 | Xu, J, Fink, E.A, Shoichet, B.K, Du, Y. | 登録日 | 2021-12-04 | 公開日 | 2022-09-28 | 最終更新日 | 2022-10-12 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Structure-based discovery of nonopioid analgesics acting through the alpha 2A -adrenergic receptor. Science, 377, 2022
|
|
4LDI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ldi by Molmil](/molmil-images/mine/4ldi) | |
8V6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v6s by Molmil](/molmil-images/mine/8v6s) | Crystal structure of PcThsA in complex with Imidazole Adenine Dinucleotide | 分子名称: | Thoeris protein ThsA Macro domain-containing protein, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-imidazol-1-yl-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | 著者 | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | 登録日 | 2023-12-02 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
|
|
8V6Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v6q by Molmil](/molmil-images/mine/8v6q) | Crystal structure of EcThsA in ligand-free state | 分子名称: | Thoeris protein ThsA Macro domain-containing protein | 著者 | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, V, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | 登録日 | 2023-12-02 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | 主引用文献 | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
|
|
8V6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v6t by Molmil](/molmil-images/mine/8v6t) | Crystal structure of EcThsB2 | 分子名称: | BROMIDE ION, Molecular chaperone Tir | 著者 | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | 登録日 | 2023-12-02 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
|
|
4ISY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4isy by Molmil](/molmil-images/mine/4isy) | |
8V6R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v6r by Molmil](/molmil-images/mine/8v6r) | Crystal structure of EcThsA in complex with ADPR | 分子名称: | Thoeris protein ThsA Macro domain-containing protein, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | 著者 | Shi, Y, Masic, V, Mosaiab, T, Goulart, C.C, Hartley-Tassell, L, Sorbello, M, Vasquez, E, Mishra, B.P, Holt, S, Gu, W, Kobe, B, Ve, T. | 登録日 | 2023-12-02 | 公開日 | 2024-06-12 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Structural characterization of macro domain-containing Thoeris antiphage defense systems. Sci Adv, 10, 2024
|
|
8E34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e34 by Molmil](/molmil-images/mine/8e34) | CryoEM structures of bAE1 captured in multiple states | 分子名称: | Anion exchange protein | 著者 | Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I. | 登録日 | 2022-08-16 | 公開日 | 2023-01-25 | 最終更新日 | 2024-06-12 | 実験手法 | ELECTRON MICROSCOPY (6 Å) | 主引用文献 | CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations. Commun Biol, 5, 2022
|
|
6GRZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6grz by Molmil](/molmil-images/mine/6grz) | |
4M8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4m8t by Molmil](/molmil-images/mine/4m8t) | |
8EP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ep2 by Molmil](/molmil-images/mine/8ep2) | |
8EP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ep9 by Molmil](/molmil-images/mine/8ep9) | |
4LV3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lv3 by Molmil](/molmil-images/mine/4lv3) | AmpC beta-lactamase in complex with (3,5-di-tert-butylphenyl) boronic acid | 分子名称: | (3,5-di-tert-butylphenyl)boronic acid, Beta-lactamase, PHOSPHATE ION | 著者 | London, N, Eidam, O, Shoichet, B.K. | 登録日 | 2013-07-25 | 公開日 | 2014-07-30 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Covalent docking of large libraries for the discovery of chemical probes. Nat.Chem.Biol., 10, 2014
|
|
4LV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lv1 by Molmil](/molmil-images/mine/4lv1) | |
1DVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dvt by Molmil](/molmil-images/mine/1dvt) | CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH FLURBIPROFEN | 分子名称: | FLURBIPROFEN, TRANSTHYRETIN | 著者 | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | 登録日 | 2000-01-22 | 公開日 | 2001-01-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of potent human transthyretin amyloid disease inhibitors. Nat.Struct.Biol., 7, 2000
|
|
1DVY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1dvy by Molmil](/molmil-images/mine/1dvy) | CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID | 分子名称: | N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID, TRANSTHYRETIN | 著者 | Klabunde, T, Petrassi, H.M, Oza, V.B, Kelly, J.W, Sacchettini, J.C. | 登録日 | 2000-01-23 | 公開日 | 2001-01-23 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Rational design of potent human transthyretin amyloid disease inhibitors. Nat.Struct.Biol., 7, 2000
|
|