6DXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxl by Molmil](/molmil-images/mine/6dxl) | Linked amidobenzimidazole STING agonist | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-29 | Release date: | 2018-11-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
|
|
6DXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dxg by Molmil](/molmil-images/mine/6dxg) | amidobenzimidazole (ABZI) STING agonists | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | Authors: | Concha, N.O. | Deposit date: | 2018-06-28 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity. Nature, 564, 2018
|
|
4UMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4umy by Molmil](/molmil-images/mine/4umy) | IDH1 R132H in complex with cpd 1 | Descriptor: | GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | McLean, L, Zhang, Y, Mathieu, M. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
|
|
8ITE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ite by Molmil](/molmil-images/mine/8ite) | |
4UMX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4umx by Molmil](/molmil-images/mine/4umx) | IDH1 R132H in complex with cpd 1 | Descriptor: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | Authors: | Mathieu, M, Marquette, J.P. | Deposit date: | 2014-05-22 | Release date: | 2014-11-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule. J.Biol.Chem., 290, 2015
|
|
7YSP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ysp by Molmil](/molmil-images/mine/7ysp) | |
7YSN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ysn by Molmil](/molmil-images/mine/7ysn) | Tubulin heterodimer structure of GMPCPP state in solution | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tubulin alpha-1B chain, ... | Authors: | Zhou, J, Wang, H.-W. | Deposit date: | 2022-08-12 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural insights into the mechanism of GTP initiation of microtubule assembly. Nat Commun, 14, 2023
|
|
7YSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ysq by Molmil](/molmil-images/mine/7ysq) | GTPgammaS Tube decorated with kinesin | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ... | Authors: | Zhou, J, Wang, H.-W. | Deposit date: | 2022-08-12 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Structural insights into the mechanism of GTP initiation of microtubule assembly. Nat Commun, 14, 2023
|
|
7YSO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yso by Molmil](/molmil-images/mine/7yso) | |
7YSR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ysr by Molmil](/molmil-images/mine/7ysr) | GTPgammaS MT decorated with kinesin | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha chain, ... | Authors: | Zhou, J, Wang, H.-W. | Deposit date: | 2022-08-12 | Release date: | 2023-10-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural insights into the mechanism of GTP initiation of microtubule assembly. Nat Commun, 14, 2023
|
|
5I89
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i89 by Molmil](/molmil-images/mine/5i89) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 | Descriptor: | (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ACETATE ION, CALCIUM ION, ... | Authors: | Setser, J.W, Poy, F, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
|
|
5I83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i83 by Molmil](/molmil-images/mine/5i83) | Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 | Descriptor: | (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, CREB-binding protein, THIOCYANATE ION | Authors: | Jayaram, H, Poy, F, Setser, J.W, Bellon, S.F. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
|
|
5I8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i8b by Molmil](/molmil-images/mine/5i8b) | CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) | Descriptor: | (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Murray, J.M. | Deposit date: | 2016-02-18 | Release date: | 2016-04-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.5218 Å) | Cite: | Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637). Acs Med.Chem.Lett., 7, 2016
|
|
6L4S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6l4s by Molmil](/molmil-images/mine/6l4s) | |
1MRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mrf by Molmil](/molmil-images/mine/1mrf) | PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES | Descriptor: | 2'-DEOXYINOSINE-5'-MONOPHOSPHATE, IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), ... | Authors: | Pokkuluri, P.R, Cygler, M. | Deposit date: | 1994-06-13 | Release date: | 1995-02-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes. J.Mol.Biol., 243, 1994
|
|
1MRE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mre by Molmil](/molmil-images/mine/1mre) | PREPARATION, CHARACTERIZATION AND CRYSTALLIZATION OF AN ANTIBODY FAB FRAGMENT THAT RECOGNIZES RNA. CRYSTAL STRUCTURES OF NATIVE FAB AND THREE FAB-MONONUCLEOTIDE COMPLEXES | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, IGG2B-KAPPA JEL103 FAB (HEAVY CHAIN), IGG2B-KAPPA JEL103 FAB (LIGHT CHAIN), ... | Authors: | Pokkuluri, P.R, Cygler, M. | Deposit date: | 1994-06-13 | Release date: | 1995-02-14 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Preparation, characterization and crystallization of an antibody Fab fragment that recognizes RNA. Crystal structures of native Fab and three Fab-mononucleotide complexes. J.Mol.Biol., 243, 1994
|
|
8I8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i8c by Molmil](/molmil-images/mine/8i8c) | |
8I8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i8b by Molmil](/molmil-images/mine/8i8b) | Outer shell and inner layer structures of Autographa californica multiple nucleopolyhedrovirus (AcMNPV) | Descriptor: | 38K, AcOrf-109 peptide, Early 49 Daa protein, ... | Authors: | Jia, X, Gao, Y, Zhang, Q. | Deposit date: | 2023-02-03 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Architecture of the baculovirus nucleocapsid revealed by cryo-EM. Nat Commun, 14, 2023
|
|
7DNL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dnl by Molmil](/molmil-images/mine/7dnl) | 2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of A4B4 | Descriptor: | Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of A4B4 Fab fragment | Authors: | He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S. | Deposit date: | 2020-12-09 | Release date: | 2020-12-30 | Last modified: | 2022-12-07 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding. J.Virol., 95, 2021
|
|
7DEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7deo by Molmil](/molmil-images/mine/7deo) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-04 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
|
|
7DET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7det by Molmil](/molmil-images/mine/7det) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
|
|
7DEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7deu by Molmil](/molmil-images/mine/7deu) | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | Authors: | Zhang, Z, Zhang, G, Li, X, Rao, Z, Guo, Y. | Deposit date: | 2020-11-05 | Release date: | 2021-03-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes. Plos Biol., 19, 2021
|
|
8I30
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i30 by Molmil](/molmil-images/mine/8i30) | Crystal structure of the SARS-CoV-2 main protease in complex with 32j | Descriptor: | (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2023-01-16 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease. Eur.J.Med.Chem., 259, 2023
|
|
6XKB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xkb by Molmil](/molmil-images/mine/6xkb) | Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD | Descriptor: | S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION | Authors: | Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-26 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4. Febs Lett., 596, 2022
|
|
8I8A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i8a by Molmil](/molmil-images/mine/8i8a) | |