7LCU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7lcu by Molmil](/molmil-images/mine/7lcu) | X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | 分子名称: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Campobasso, N, Reid, R. | 登録日 | 2021-01-11 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease. Cell Chem Biol, 29, 2022
|
|
6FWM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fwm by Molmil](/molmil-images/mine/6fwm) | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-1,2-anhydro-mannose hydrolyzed by enzyme | 分子名称: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Glycosyl hydrolase family 71, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
|
|
6YZE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yze by Molmil](/molmil-images/mine/6yze) | Zinc metalloprotease ProA from native source | 分子名称: | ZINC ION, Zinc metalloproteinase | 著者 | Schmelz, S, Blankenfeldt, W. | 登録日 | 2020-05-06 | 公開日 | 2021-02-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation. Cell.Microbiol., 23, 2021
|
|
6AX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ax9 by Molmil](/molmil-images/mine/6ax9) | F95N Epi-isozizaene synthase | 分子名称: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | 著者 | Blank, P.N, Barrow, G.H, Christianson, D.W. | 登録日 | 2017-09-06 | 公開日 | 2017-10-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.403 Å) | 主引用文献 | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes. Biochemistry, 56, 2017
|
|
5UO4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uo4 by Molmil](/molmil-images/mine/5uo4) | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)ethyl)benzonitrile | 分子名称: | 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[2-(methylamino)ethyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
|
|
8AM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8am4 by Molmil](/molmil-images/mine/8am4) | Cl-rsEGFP2 Long Wavelength Structure | 分子名称: | Green fluorescent protein | 著者 | Orr, C.M, Fadini, A, van Thor, J. | 登録日 | 2022-08-02 | 公開日 | 2023-08-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Serial Femtosecond Crystallography Reveals that Photoactivation in a Fluorescent Protein Proceeds via the Hula Twist Mechanism. J.Am.Chem.Soc., 2023
|
|
6HCN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hcn by Molmil](/molmil-images/mine/6hcn) | Adenovirus Type 5 Fiber Knob protein at 1.49A resolution | 分子名称: | 1,2-ETHANEDIOL, Fiber protein, MAGNESIUM ION | 著者 | Rizkallah, P.J, Parker, A.L, Baker, A.T. | 登録日 | 2018-08-15 | 公開日 | 2019-02-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Diversity within the adenovirus fiber knob hypervariable loops influences primary receptor interactions. Nat Commun, 10, 2019
|
|
6FWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fwq by Molmil](/molmil-images/mine/6fwq) | Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | 分子名称: | Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-07 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
|
|
8SJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sj0 by Molmil](/molmil-images/mine/8sj0) | |
5HEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hel by Molmil](/molmil-images/mine/5hel) | Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2 | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2 | 著者 | Tallant, C, Lori, C, Pasquo, A, Chiaraluce, R, Consalvi, V, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | 登録日 | 2016-01-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2 To Be Published
|
|
6QLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qlb by Molmil](/molmil-images/mine/6qlb) | Calpain small subunit 1, RNA-binding protein Hfq | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, CALCIUM ION, ... | 著者 | Rizkallah, P.J, Cresser-Brown, J.O. | 登録日 | 2019-01-31 | 公開日 | 2020-02-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Calpain small subunit 1, RNA-binding protein Hfq Acta Crystallogr.,Sect.F, 2020
|
|
6HDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hdw by Molmil](/molmil-images/mine/6hdw) | Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with 2-HIB-AMP | 分子名称: | 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate | 著者 | Zahn, M, Rohwerder, T, Strater, N. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle. J.Mol.Biol., 431, 2019
|
|
6AXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6axy by Molmil](/molmil-images/mine/6axy) | |
8SVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8svl by Molmil](/molmil-images/mine/8svl) | |
6QBU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qbu by Molmil](/molmil-images/mine/6qbu) | Crystal structure of Porcine Pancreatic Elastase (PPE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC188 | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Chymotrypsin-like elastase family member 1, PHOSPHATE ION, ... | 著者 | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | 登録日 | 2018-12-21 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling. Acs Chem.Biol., 15, 2020
|
|
8RMW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rmw by Molmil](/molmil-images/mine/8rmw) | Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis. | 分子名称: | 1,2-ETHANEDIOL, Alpha-methylacyl-CoA racemase, DI(HYDROXYETHYL)ETHER | 著者 | Mojanaga, O.O, Acharya, K.R, Lloyd, M.D. | 登録日 | 2024-01-09 | 公開日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | alpha-Methylacyl-CoA Racemase from Mycobacterium tuberculosis -Detailed Kinetic and Structural Characterization of the Active Site. Biomolecules, 14, 2024
|
|
6HEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hep by Molmil](/molmil-images/mine/6hep) | |
8AW0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8aw0 by Molmil](/molmil-images/mine/8aw0) | |
6QC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qc0 by Molmil](/molmil-images/mine/6qc0) | |
6HEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6hew by Molmil](/molmil-images/mine/6hew) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069 | 分子名称: | 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | 登録日 | 2018-08-20 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.268 Å) | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity To Be Published
|
|
8RP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rp3 by Molmil](/molmil-images/mine/8rp3) | |
6FXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fxu by Molmil](/molmil-images/mine/6fxu) | |
7LL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ll4 by Molmil](/molmil-images/mine/7ll4) | |
6ZLC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zlc by Molmil](/molmil-images/mine/6zlc) | Non-specific dsRNA recognition by wildtype H7N1 RNA-binding domain | 分子名称: | NITRATE ION, Non-structural protein 1, RNA (5'-R(*AP*GP*AP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*CP*UP*GP*UP*CP*U)-3'), ... | 著者 | Coste, F, Wacquiez, A, Marc, D, Castaing, B. | 登録日 | 2020-06-30 | 公開日 | 2020-10-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure and Sequence Determinants Governing the Interactions of RNAs with Influenza A Virus Non-Structural Protein NS1. Viruses, 12, 2020
|
|
6Q6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q6t by Molmil](/molmil-images/mine/6q6t) | |