4NCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ncv by Molmil](/molmil-images/mine/4ncv) | Foldon domain wild type N-conjugate | 分子名称: | Fibritin | 著者 | Graewert, M.A, Berthelmann, A, Lach, J, Groll, M, Eichler, J. | 登録日 | 2013-10-25 | 公開日 | 2014-03-12 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Versatile C(3)-symmetric scaffolds and their use for covalent stabilization of the foldon trimer. Org.Biomol.Chem., 12, 2014
|
|
4NDC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ndc by Molmil](/molmil-images/mine/4ndc) | X-ray structure of a mutant (T188D) of calexcitin - a neuronal calcium-signalling protein | 分子名称: | CALCIUM ION, Calexcitin | 著者 | Erskine, P.T, Fokas, A, Muriithi, C, Razzall, E, Bowyer, A, Findlow, I.S, Werner, J.M, Wallace, B.A, Wood, S.P, Cooper, J.B. | 登録日 | 2013-10-25 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray, spectroscopic and normal-mode dynamics of calexcitin: structure-function studies of a neuronal calcium-signalling protein. Acta Crystallogr.,Sect.D, 71, 2015
|
|
4OK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ok3 by Molmil](/molmil-images/mine/4ok3) | |
4OIY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oiy by Molmil](/molmil-images/mine/4oiy) | Crystal structure of Sec7p catalytic domain | 分子名称: | MAGNESIUM ION, Protein transport protein SEC7 | 著者 | Qiu, B, Zhang, K, Sun, F. | 登録日 | 2014-01-20 | 公開日 | 2014-07-02 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | C-terminal motif within Sec7 domain regulates guanine nucleotide exchange activity via tuning protein conformation Biochem.Biophys.Res.Commun., 446, 2014
|
|
4OK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ok6 by Molmil](/molmil-images/mine/4ok6) | |
6PTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ptt by Molmil](/molmil-images/mine/6ptt) | Soluble model of Arabidopsis thaliana CuA (Tt3LAt) | 分子名称: | Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION | 著者 | Lisa, M.N, Giannini, E, Llases, M.E, Alzari, P.M, Vila, A.J. | 登録日 | 2019-07-16 | 公開日 | 2019-11-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways. Chem.Commun.(Camb.), 56, 2020
|
|
4N3E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n3e by Molmil](/molmil-images/mine/4n3e) | Crystal structure of Hyp-1, a St John's wort PR-10 protein, in complex with 8-anilino-1-naphthalene sulfonate (ANS) | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-ANILINO-1-NAPHTHALENE SULFONATE, Phenolic oxidative coupling protein, ... | 著者 | Sliwiak, J, Dauter, Z, Mccoy, A.J, Read, R.J, Jaskolski, M. | 登録日 | 2013-10-07 | 公開日 | 2014-02-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Likelihood-based molecular-replacement solution for a highly pathological crystal with tetartohedral twinning and sevenfold translational noncrystallographic symmetry. Acta Crystallogr.,Sect.D, 70, 2014
|
|
4N8V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n8v by Molmil](/molmil-images/mine/4n8v) | |
6QGE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qge by Molmil](/molmil-images/mine/6qge) | Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | 著者 | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-01-11 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
|
|
6QGF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qgf by Molmil](/molmil-images/mine/6qgf) | Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | 著者 | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-01-11 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
|
|
6QI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qi4 by Molmil](/molmil-images/mine/6qi4) | NCS-1 bound to a ligand | 分子名称: | 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ... | 著者 | Sanchez-Barrena, M.J, Blanco-Gabella, P. | 登録日 | 2019-01-17 | 公開日 | 2019-07-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library. Nat Commun, 10, 2019
|
|
4N7D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n7d by Molmil](/molmil-images/mine/4n7d) | Selenomethionine incorporated Bla g 4 | 分子名称: | Bla g 4 allergen variant 1, CITRIC ACID, GLYCEROL | 著者 | Offermann, L.R, Chan, S.L, Osinski, T, Tan, Y.W, Chew, F.T, Sivaraman, J, Mok, Y.K, Minor, W, Chruszcz, M. | 登録日 | 2013-10-15 | 公開日 | 2014-05-21 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The major cockroach allergen Bla g 4 binds tyramine and octopamine. Mol.Immunol., 60, 2014
|
|
5IA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ia0 by Molmil](/molmil-images/mine/5ia0) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, alisertib | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.948 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
4NUV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nuv by Molmil](/molmil-images/mine/4nuv) | |
4O1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1l by Molmil](/molmil-images/mine/4o1l) | Human Adenosine Kinase in complex with inhibitor | 分子名称: | 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase, MAGNESIUM ION | 著者 | Brynda, J, Dostal, J, Pichova, I, Hodcek, M. | 登録日 | 2013-12-16 | 公開日 | 2014-11-26 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides J.Med.Chem., 57, 2014
|
|
4OLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4olk by Molmil](/molmil-images/mine/4olk) | The CHAP domain of LysGH15 | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin | 著者 | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | 登録日 | 2014-01-24 | 公開日 | 2014-05-28 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.694 Å) | 主引用文献 | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
|
|
4OS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4os7 by Molmil](/molmil-images/mine/4os7) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK607 (bicyclic) | 分子名称: | ACETATE ION, GLYCEROL, SULFATE ION, ... | 著者 | Chen, S, Pojer, F, Heinis, C. | 登録日 | 2014-02-12 | 公開日 | 2014-09-24 | 最終更新日 | 2021-06-02 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
|
|
5I5U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i5u by Molmil](/molmil-images/mine/5i5u) | X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR. | 分子名称: | 1,2-ETHANEDIOL, 2-hydroxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide, Branched-chain-amino-acid aminotransferase, ... | 著者 | Somers, D.O. | 登録日 | 2016-02-15 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.404 Å) | 主引用文献 | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening. J.Med.Chem., 59, 2016
|
|
5I9Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i9z by Molmil](/molmil-images/mine/5i9z) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with danusertib (PHA739358) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
|
|
4O0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o0a by Molmil](/molmil-images/mine/4o0a) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | 分子名称: | 5-{4-[({[4-(5-carboxyfuran-2-yl)-2-chlorophenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | 著者 | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | 登録日 | 2013-12-13 | 公開日 | 2014-01-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J. Med. Chem., 56, 2013
|
|
4MCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mcu by Molmil](/molmil-images/mine/4mcu) | |
4MGX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mgx by Molmil](/molmil-images/mine/4mgx) | |
4OK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ok5 by Molmil](/molmil-images/mine/4ok5) | |
4OQ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4oq4 by Molmil](/molmil-images/mine/4oq4) | Crystal Structure of E18A Human DJ-1 | 分子名称: | Protein DJ-1, SODIUM ION | 著者 | Prahlad, J, Hauser, D.N, Milkovic, N.M, Cookson, M.R, Wilson, M.A. | 登録日 | 2014-02-07 | 公開日 | 2014-02-19 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Use of cysteine-reactive cross-linkers to probe conformational flexibility of human DJ-1 demonstrates that Glu18 mutations are dimers. J Neurochem, 130, 2014
|
|
4OS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4os2 by Molmil](/molmil-images/mine/4os2) | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK602 (bicyclic 1) | 分子名称: | ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... | 著者 | Chen, S, Pojer, F, Heinis, C. | 登録日 | 2014-02-12 | 公開日 | 2014-09-24 | 最終更新日 | 2021-06-02 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
|
|