8HRK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hrk by Molmil](/molmil-images/mine/8hrk) | SARS-CoV-2 Delta S-RBD-ACE2 complex | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
|
|
8HRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hrn by Molmil](/molmil-images/mine/8hrn) | Cryo-EM structure of ACE2 | Descriptor: | Angiotensin-converting enzyme 2 | Authors: | Xu, J, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
|
|
8HRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hrl by Molmil](/molmil-images/mine/8hrl) | SARS-CoV-2 Delta S-RBD-ACE2 | Descriptor: | Processed angiotensin-converting enzyme 2, Spike protein S1 | Authors: | Xu, J, Meng, F, Liu, N, Wang, H.W. | Deposit date: | 2022-12-15 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Self-assembled monolayers guided free-standing atomic-crystal/molecule superstructure To Be Published
|
|
8HRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hrj by Molmil](/molmil-images/mine/8hrj) | |
5ZBE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zbe by Molmil](/molmil-images/mine/5zbe) | Crystal structure of AerE from Microcystis aeruginosa | Descriptor: | Cupin domain protein, FE (II) ION, TRIETHYLENE GLYCOL | Authors: | Qiu, X. | Deposit date: | 2018-02-11 | Release date: | 2019-02-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional insights into the role of a cupin superfamily isomerase in the biosynthesis of Choi moiety of aeruginosin. J. Struct. Biol., 205, 2019
|
|
8P6H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p6h by Molmil](/molmil-images/mine/8p6h) | Bovine naive ultralong antibody AbBLV5B8* collected at 100K | Descriptor: | Antibody BLV5B8* heavy chain, Antibody BLV5B8* light chain | Authors: | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | Deposit date: | 2023-05-26 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | The impact of chain-exchange on bovine ultralong immunoglobulins. Acta Crystallographica Section F, 2023
|
|
5XS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xs7 by Molmil](/molmil-images/mine/5xs7) | Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5 | Descriptor: | Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5 | Authors: | Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T. | Deposit date: | 2017-06-12 | Release date: | 2017-09-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody Nat Commun, 8, 2017
|
|
8Y4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8y4u by Molmil](/molmil-images/mine/8y4u) | Crystal structure of a His1 from oryza sativa | Descriptor: | FE (III) ION, Fe(II)/2-oxoglutarate-dependent oxygenase | Authors: | Wang, N, Ma, J.M, Shibing, H, Beibei, Y, He, Z, Dandan, L. | Deposit date: | 2024-01-30 | Release date: | 2024-02-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of HPPD inhibitor sensitive protein from Oryza sativa. Biochem.Biophys.Res.Commun., 704, 2024
|
|
8WOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wou by Molmil](/molmil-images/mine/8wou) | |
8YRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yrh by Molmil](/molmil-images/mine/8yrh) | Complex of SARS-CoV-2 main protease and Rosmarinic acid | Descriptor: | (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid, 3C-like proteinase nsp5 | Authors: | Wang, Q.S, Li, Q.H. | Deposit date: | 2024-03-21 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Structural basis of rosmarinic acid inhibitory mechanism on SARS-CoV-2 main protease. Biochem.Biophys.Res.Commun., 724, 2024
|
|
6LQK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6lqk by Molmil](/molmil-images/mine/6lqk) | Crystal structure of honeybee RyR NTD | Descriptor: | MAGNESIUM ION, ryanodine receptor | Authors: | Zhou, Y, Lin, L, Yuchi, Z. | Deposit date: | 2020-01-13 | Release date: | 2021-01-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Crystal structure of the N-terminal domain of ryanodine receptor from the honeybee, Apis mellifera. Insect Biochem.Mol.Biol., 125, 2020
|
|
8GWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwa by Molmil](/molmil-images/mine/8gwa) | Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | Authors: | Chen, J.H, Zhang, X. | Deposit date: | 2022-09-16 | Release date: | 2022-11-23 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-electron microscopy structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium. J Integr Plant Biol, 65, 2023
|
|
8JF4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jf4 by Molmil](/molmil-images/mine/8jf4) | The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | Authors: | Zhu, C.J. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.89288354 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8JF3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jf3 by Molmil](/molmil-images/mine/8jf3) | C-Src in complex with compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Zhang, Z.M, Huang, H.S. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.84647632 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
3FPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fpm by Molmil](/molmil-images/mine/3fpm) | Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2 | Descriptor: | 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione, MAP kinase-activated protein kinase 2 | Authors: | Parris, K.D. | Deposit date: | 2009-01-05 | Release date: | 2009-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Identification and SAR of squarate inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2) Bioorg.Med.Chem., 17, 2009
|
|
8JG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jg8 by Molmil](/molmil-images/mine/8jg8) | |
4LNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lnu by Molmil](/molmil-images/mine/4lnu) | Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ... | Authors: | Cao, L, Gigant, B, Knossow, M. | Deposit date: | 2013-07-12 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement Nat Commun, 5, 2014
|
|
3FEP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fep by Molmil](/molmil-images/mine/3fep) | Crystal structure of the R132K:R111L:L121E:R59W-CRABPII mutant complexed with a synthetic ligand (merocyanin) at 2.60 angstrom resolution. | Descriptor: | (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cellular retinoic acid-binding protein 2 | Authors: | Jia, X, Geiger, J.H. | Deposit date: | 2008-11-30 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | "Turn-on" protein fluorescence: in situ formation of cyanine dyes. J.Am.Chem.Soc., 137, 2015
|
|
8E2M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8e2m by Molmil](/molmil-images/mine/8e2m) | Bruton's tyrosine kinase (BTK) with compound 13 | Descriptor: | (5P)-5-[4-methyl-6-(2-methylpropyl)pyridin-3-yl]-4-oxo-N-[(1R,2S)-2-propanamidocyclopentyl]-4,5-dihydro-3H-1-thia-3,5,8-triazaacenaphthylene-2-carboxamide, TRIETHYLENE GLYCOL, Tyrosine-protein kinase BTK | Authors: | Alexander, R, Milligan, C.M. | Deposit date: | 2022-08-15 | Release date: | 2022-11-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Discovery of JNJ-64264681: A Potent and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J.Med.Chem., 65, 2022
|
|
8H7B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h7b by Molmil](/molmil-images/mine/8h7b) | The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | Descriptor: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-19 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46408451 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8H7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h7f by Molmil](/molmil-images/mine/8h7f) | The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA | Descriptor: | 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45013428 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8H7H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8h7h by Molmil](/molmil-images/mine/8h7h) | The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA | Descriptor: | 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27789712 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8DZ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dz8 by Molmil](/molmil-images/mine/8dz8) | |
6NPS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nps by Molmil](/molmil-images/mine/6nps) | Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus | Descriptor: | AxyAgu115A, CHLORIDE ION, GLYCEROL | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Yan, R, Master, E, Savchenko, A. | Deposit date: | 2019-01-18 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural characterization of the family GH115 alpha-glucuronidase from Amphibacillus xylanus yields insight into its coordinated action with alpha-arabinofuranosidases. N Biotechnol, 2021
|
|
8FJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fjz by Molmil](/molmil-images/mine/8fjz) | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with 3-{4-[(3R,5S)-3-Amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile | Descriptor: | (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | McTigue, M, Johnson, E, Cronin, C. | Deposit date: | 2022-12-20 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.897 Å) | Cite: | Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1. J.Med.Chem., 66, 2023
|
|