6Q9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q9k by Molmil](/molmil-images/mine/6q9k) | Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gerhardt, S, Gnandt, E, Friedrich, T. | 登録日 | 2018-12-18 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
|
|
6R7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6r7p by Molmil](/molmil-images/mine/6r7p) | Crystal structure of oxidized Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M | 分子名称: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Wohlwend, D, Gnandt, E, Friedrich, T. | 登録日 | 2019-03-29 | 公開日 | 2019-06-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.22 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
|
|
5TZD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5tzd by Molmil](/molmil-images/mine/5tzd) | Structure of the WT S. venezulae BldD-(CTD-c-di-GMP)2 assembly intermediate | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), DNA-binding protein | 著者 | Schumacher, M. | 登録日 | 2016-11-21 | 公開日 | 2017-04-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.749 Å) | 主引用文献 | The Streptomyces master regulator BldD binds c-di-GMP sequentially to create a functional BldD2-(c-di-GMP)4 complex. Nucleic Acids Res., 45, 2017
|
|
5SYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5syv by Molmil](/molmil-images/mine/5syv) | |
5SYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5syw by Molmil](/molmil-images/mine/5syw) | |
5SYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5syu by Molmil](/molmil-images/mine/5syu) | |
5TXQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5txq by Molmil](/molmil-images/mine/5txq) | |
6N51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n51 by Molmil](/molmil-images/mine/6n51) | Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43 | 分子名称: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | 著者 | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | 登録日 | 2018-11-20 | 公開日 | 2019-01-23 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
6S68
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s68 by Molmil](/molmil-images/mine/6s68) | Structure of the Fluorescent Protein AausFP2 from Aequorea cf. australis at pH 7.6 | 分子名称: | Aequorea cf. australis fluorescent protein 2 (AausFP2) | 著者 | Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A. | 登録日 | 2019-07-02 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing. Plos Biol., 18, 2020
|
|
6N52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n52 by Molmil](/molmil-images/mine/6n52) | Metabotropic Glutamate Receptor 5 Apo Form | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | 著者 | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | 登録日 | 2018-11-20 | 公開日 | 2019-01-23 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4 Å) | 主引用文献 | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
6S67
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6s67 by Molmil](/molmil-images/mine/6s67) | Structure of the Fluorescent Protein AausFP1 from Aequorea cf. australis at pH 7.0 | 分子名称: | Aequorea cf. australis fluorescent protein 1 (AausFP1), GLYCEROL | 著者 | Depernet, H, Gotthard, G, Lambert, G.G, Shaner, N.C, Royant, A. | 登録日 | 2019-07-02 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | 主引用文献 | Aequorea's secrets revealed: New fluorescent proteins with unique properties for bioimaging and biosensing. Plos Biol., 18, 2020
|
|
6MKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mkq by Molmil](/molmil-images/mine/6mkq) | Carbapenemase VCC-1 bound to avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | 著者 | Mark, B.L, Vadlamani, G. | 登録日 | 2018-09-26 | 公開日 | 2019-01-30 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam. Antimicrob. Agents Chemother., 63, 2019
|
|
6N4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6n4x by Molmil](/molmil-images/mine/6n4x) | Metabotropic Glutamate Receptor 5 Apo Form Ligand Binding Domain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 5 | 著者 | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | 登録日 | 2018-11-20 | 公開日 | 2019-01-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | Structural insights into the activation of metabotropic glutamate receptors. Nature, 566, 2019
|
|
6MK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mk6 by Molmil](/molmil-images/mine/6mk6) | |
5UIG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uig by Molmil](/molmil-images/mine/5uig) | Crystal structure of adenosine A2A receptor bound to a novel triazole-carboximidamide antagonist | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-amino-N-[(2-methoxyphenyl)methyl]-2-(3-methylphenyl)-2H-1,2,3-triazole-4-carboximidamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | 著者 | Sun, B, Bachhawat, P, Ling-Hon Chu, M, Ceska, T, Sands, Z, Lebon, F, Kobilka, T.S, Kobilka, B. | 登録日 | 2017-01-13 | 公開日 | 2017-02-08 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Crystal structure of the adenosine A2A receptor bound to an antagonist reveals a potential allosteric pocket. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6P7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p7z by Molmil](/molmil-images/mine/6p7z) | |
6PAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6paf by Molmil](/molmil-images/mine/6paf) | |
4IHL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ihl by Molmil](/molmil-images/mine/4ihl) | Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A | 分子名称: | (1R,3aS,4R,5R,6R,9aR,10E)-6-({(1S,2R,4S,5R,6R,8S,9S)-5-hydroxy-2-(methoxymethyl)-9-methyl-9-[(2S)-oxiran-2-yl]-3,7,10,1 1-tetraoxatricyclo[6.2.1.0~1,6~]undec-4-yl}oxy)-1-(methoxymethyl)-4,9a-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,8,9,9a-de cahydrodicyclopenta[a,d][8]annulene-1,5-diol, 14-3-3 protein zeta/delta, POTASSIUM ION, ... | 著者 | Molzan, M, Ottmann, C. | 登録日 | 2012-12-19 | 公開日 | 2013-09-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Stabilization of Physical RAF/14-3-3 Interaction by Cotylenin A as Treatment Strategy for RAS Mutant Cancers. Acs Chem.Biol., 8, 2013
|
|
4IEA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4iea by Molmil](/molmil-images/mine/4iea) | |
4UTN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4utn by Molmil](/molmil-images/mine/4utn) | Crystal structure of zebrafish Sirtuin 5 in complex with succinylated CPS1-peptide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | 著者 | Pannek, M, Gertz, M, Steegborn, C. | 登録日 | 2014-07-21 | 公開日 | 2014-08-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Chemical Probing of the Human Sirtuin 5 Active Site Reveals its Substrate Acyl Specificity and Peptide-Based Inhibitors. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
3ZEV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zev by Molmil](/molmil-images/mine/3zev) | Structure of Thermostable Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion | 分子名称: | GLYCINE, NEUROTENSIN, NEUROTENSIN RECEPTOR 1 TM86V | 著者 | Egloff, P, Hillenbrand, M, Schlinkmann, K.M, Batyuk, A, Mittl, P, Plueckthun, A. | 登録日 | 2012-12-07 | 公開日 | 2014-01-29 | 最終更新日 | 2014-02-26 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5K3W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5k3w by Molmil](/molmil-images/mine/5k3w) | Structural characterisation of fold IV-transaminase, CpuTA1, from Curtobacterium pusillum | 分子名称: | 3-AMINOBENZOIC ACID, CpuTA1, PYRIDOXAL-5'-PHOSPHATE | 著者 | Pavkov-Keller, T, Diepold, M, Steiner, K, Gruber, K. | 登録日 | 2016-05-20 | 公開日 | 2016-12-14 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Discovery and structural characterisation of new fold type IV-transaminases exemplify the diversity of this enzyme fold. Sci Rep, 6, 2016
|
|
4UR9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ur9 by Molmil](/molmil-images/mine/4ur9) | Structure of ligand bound glycosylhydrolase | 分子名称: | 4-ethoxyquinazoline, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | 著者 | Darby, J.F, Landstroem, J, Roth, C, He, Y, Schultz, M, Davies, G.J, Hubbard, R.E. | 登録日 | 2014-06-27 | 公開日 | 2015-02-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
7ONS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ons by Molmil](/molmil-images/mine/7ons) | PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) | 分子名称: | 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Heightman, T.D, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
|
|
7ONR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7onr by Molmil](/molmil-images/mine/7onr) | PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) | 分子名称: | 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one, Poly [ADP-ribose] polymerase 1, SULFATE ION | 著者 | Schimpl, M, Balazs, A, Barratt, D, Bista, M, Chuba, M, Degorce, S.L, Di Fruscia, P, Embrey, K, Ghosh, A, Gill, S, Gunnarsson, A, Hande, S, Hemsley, P, Illuzzi, G, Lane, J, Larner, C, Leo, E, Madin, A, Martin, S, McWilliams, L, Orme, J, Pachl, F, Packer, M, Pike, A, Staniszewska, A.D, Talbot, V, Underwood, E, Varnes, G.J, Zhang, A, Zheng, X, Johannes, J.W. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}- N -methylpyridine-2-carboxamide (AZD5305): A PARP1-DNA Trapper with High Selectivity for PARP1 over PARP2 and Other PARPs. J.Med.Chem., 64, 2021
|
|