6H46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h46 by Molmil](/molmil-images/mine/6h46) | Human KRAS in complex with darpin K13 | 分子名称: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | 著者 | Debreczeni, J.E, Bery, N, Legg, S, Breed, J, Embrey, K, Stubbs, C, Kolasinska-Zwierz, P, Barrett, N, Marwood, R, Watson, J, Tart, J, Overman, R, Miller, A, Phillips, C, Minter, R, Rabbitts, T.H. | 登録日 | 2018-07-20 | 公開日 | 2019-04-24 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | KRAS-specific inhibition using a DARPin binding to a site in the allosteric lobe. Nat Commun, 10, 2019
|
|
8CZW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8czw by Molmil](/molmil-images/mine/8czw) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | 分子名称: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | 著者 | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | 登録日 | 2022-05-25 | 公開日 | 2022-06-22 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
|
|
5NO5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5no5 by Molmil](/molmil-images/mine/5no5) | AbyA5 Wildtype | 分子名称: | AbyA5 | 著者 | Byrne, M.J, Race, P.R. | 登録日 | 2017-04-10 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | An Esterase-like Lyase Catalyzes Acetate Elimination in Spirotetronate/Spirotetramate Biosynthesis. Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
5EQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eq6 by Molmil](/molmil-images/mine/5eq6) | Pseudomonas aeruginosa PilM bound to AMP-PNP | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Type 4 fimbrial biogenesis protein PilM | 著者 | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | 登録日 | 2015-11-12 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM. J.Biol.Chem., 291, 2016
|
|
6H5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h5c by Molmil](/molmil-images/mine/6h5c) | Crystal structure of DHQ1 from Salmonella typhi covalently modified by ligand 1 | 分子名称: | (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid, 3-dehydroquinate dehydratase | 著者 | Sanz-Gaitero, M, Maneiro, M, Lence, E, Otero, J.M, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | 登録日 | 2018-07-24 | 公開日 | 2019-07-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Hydroxylammonium Derivatives for Selective Active-site Lysine Modification in the Anti-virulence Bacterial Target DHQ1 Enzyme. Org Chem Front, 9, 2019
|
|
6UPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6upr by Molmil](/molmil-images/mine/6upr) | Crystal Structure of GTPase Domain of Human Septin 2 / Septin 8 Heterocomplex | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Leonardo, D.A, Pereira, H.M, Brandao-Neto, J, Araujo, A.P.U, Garratt, R.C. | 登録日 | 2019-10-18 | 公開日 | 2020-09-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Molecular Recognition at Septin Interfaces: The Switches Hold the Key. J.Mol.Biol., 432, 2020
|
|
3NX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nx5 by Molmil](/molmil-images/mine/3nx5) | The crystal structure of Sanguinarine bound to DNA d(CGTACG) | 分子名称: | 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, 5'-D(*CP*GP*TP*AP*CP*G)-3', CALCIUM ION | 著者 | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | 登録日 | 2010-07-13 | 公開日 | 2011-05-04 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG) Chem.Commun.(Camb.), 47, 2011
|
|
8SF2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sf2 by Molmil](/molmil-images/mine/8sf2) | Crystal structure of the engineered SsoPox variant IG7 | 分子名称: | Aryldialkylphosphatase, COBALT (II) ION, FE (III) ION, ... | 著者 | Jacquet, P, Billot, R, Shimon, A, Hoekstra, N, Bergonzi, C, Jenks, A, Daude, D, Elias, M.H. | 登録日 | 2023-04-10 | 公開日 | 2024-04-17 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Changes in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase To Be Published
|
|
2ZYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2zya by Molmil](/molmil-images/mine/2zya) | Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate | 分子名称: | 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, decarboxylating | 著者 | Chen, Y.-Y, Ko, T.-P, Lo, L.-P, Lin, C.-H, Wang, A.H.-J. | 登録日 | 2009-01-19 | 公開日 | 2009-09-01 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Conformational changes associated with cofactor/substrate binding of 6-phosphogluconate dehydrogenase from Escherichia coli and Klebsiella pneumoniae: Implications for enzyme mechanism J.Struct.Biol., 169, 2010
|
|
4LTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lth by Molmil](/molmil-images/mine/4lth) | |
3O0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3o0t by Molmil](/molmil-images/mine/3o0t) | Crystal structure of human phosphoglycerate mutase family member 5 (PGAM5) in complex with phosphate | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, Serine/threonine-protein phosphatase PGAM5, ... | 著者 | Chaikuad, A, Alfano, I, Picaud, S, Filippakopoulos, P, Barr, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Takeda, K, Ichijo, H, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2010-07-20 | 公開日 | 2010-10-06 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of PGAM5 Provide Insight into Active Site Plasticity and Multimeric Assembly. Structure, 25, 2017
|
|
4HMK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hmk by Molmil](/molmil-images/mine/4hmk) | Crystal structure of LeuT-E290S with bound Br | 分子名称: | BROMIDE ION, LEUCINE, SODIUM ION, ... | 著者 | Kantcheva, A.K, Quick, M, Shi, L, Winther, A.M.L, Stolzenberg, S, Weinstein, H, Javitch, J.A, Nissen, P. | 登録日 | 2012-10-18 | 公開日 | 2013-05-08 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The chloride binding site of Neurotransmitter Sodium Symporters Proc.Natl.Acad.Sci.USA, 2013
|
|
5NQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nqt by Molmil](/molmil-images/mine/5nqt) | Tubulin Darpin room-temperature structure determined by serial millisecond crystallography | 分子名称: | DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J. | 登録日 | 2017-04-21 | 公開日 | 2017-09-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons. Nat Commun, 8, 2017
|
|
3IK6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ik6 by Molmil](/molmil-images/mine/3ik6) | Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, chlorothiazide | 分子名称: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... | 著者 | Ptak, C.P, Ahmed, A.H, Oswald, R.E. | 登録日 | 2009-08-05 | 公開日 | 2009-09-15 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
|
|
5EOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5eoy by Molmil](/molmil-images/mine/5eoy) | Pseudomonas aeruginosa SeMet-PilM bound to ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Type 4 fimbrial biogenesis protein PilM | 著者 | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L.L, Howell, P.L. | 登録日 | 2015-11-10 | 公開日 | 2016-04-27 | 最終更新日 | 2016-06-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM. J.Biol.Chem., 291, 2016
|
|
345D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 345d by Molmil](/molmil-images/mine/345d) | |
4HRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hrh by Molmil](/molmil-images/mine/4hrh) | Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide | 分子名称: | Helicase-like transcription factor, Protein S100-A10, Annexin A2, ... | 著者 | Gao, P, Patel, D.J. | 登録日 | 2012-10-27 | 公開日 | 2013-03-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.001 Å) | 主引用文献 | SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action. Cell(Cambridge,Mass.), 152, 2013
|
|
3IPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ipp by Molmil](/molmil-images/mine/3ipp) | crystal structure of sulfur-free YnjE | 分子名称: | GLYCEROL, PHOSPHATE ION, Putative thiosulfate sulfurtransferase ynjE, ... | 著者 | Haenzelmann, P, Kuper, J, Schindelin, H. | 登録日 | 2009-08-18 | 公開日 | 2009-12-08 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal structure of YnjE from Escherichia coli, a sulfurtransferase with three rhodanese domains. Protein Sci., 18, 2009
|
|
4HRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hre by Molmil](/molmil-images/mine/4hre) | Crystal Structure of p11/Annexin A2 Heterotetramer in Complex with SMARCA3 Peptide | 分子名称: | Annexin A2, Helicase-like transcription factor, Protein S100-A10 | 著者 | Gao, P, Patel, D.J. | 登録日 | 2012-10-27 | 公開日 | 2013-03-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7852 Å) | 主引用文献 | SMARCA3, a Chromatin-Remodeling Factor, Is Required for p11-Dependent Antidepressant Action. Cell(Cambridge,Mass.), 152, 2013
|
|
4HSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4hsn by Molmil](/molmil-images/mine/4hsn) | Crystal structure of DAH7PS from Neisseria meningitidis | 分子名称: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, PHOSPHOENOLPYRUVATE, ... | 著者 | Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J. | 登録日 | 2012-10-30 | 公開日 | 2013-09-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine. Protein Sci., 22, 2013
|
|
6UQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uqb by Molmil](/molmil-images/mine/6uqb) | |
6M5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6m5r by Molmil](/molmil-images/mine/6m5r) | The coordinates of the apo monomeric terminase complex | 分子名称: | Tripartite terminase subunit 1, Tripartite terminase subunit 2, Tripartite terminase subunit 3, ... | 著者 | Yang, Y.X, Yang, P, Wang, N, Chen, Z.H, Zhou, Z.H, Rao, Z.H, Wang, X.X. | 登録日 | 2020-03-11 | 公開日 | 2020-10-28 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Architecture of the herpesvirus genome-packaging complex and implications for DNA translocation. Protein Cell, 11, 2020
|
|
7VE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ve0 by Molmil](/molmil-images/mine/7ve0) | Crystal Structure of Ritonavir bound Plasmepsin II (PMII) from Plasmodium falciparum | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Plasmepsin II, ... | 著者 | Mishra, V, Rathore, I, Bhaumik, P. | 登録日 | 2021-09-07 | 公開日 | 2023-02-01 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Inhibition of Plasmodium falciparum plasmepsins by drugs targeting HIV-1 protease: A way forward for antimalarial drug discovery. Curr Res Struct Biol, 7, 2024
|
|
6UQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6uql by Molmil](/molmil-images/mine/6uql) | |
6GYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyw by Molmil](/molmil-images/mine/6gyw) | |