8ILS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ils by Molmil](/molmil-images/mine/8ils) | Cryo-EM structure of PI3Kalpha in complex with compound 17 | Descriptor: | N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[4-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Zhou, Q, Liu, X, Neri, D, Li, W, Favalli, N, Bassi, G, Yang, S, Yang, D, Vogt, P.K, Wang, M.-W. | Deposit date: | 2023-03-04 | Release date: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insights into the interaction of three Y-shaped ligands with PI3K alpha. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6GYS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gys by Molmil](/molmil-images/mine/6gys) | Cryo-EM structure of the CBF3-CEN3 complex of the budding yeast kinetochore | Descriptor: | Centromere DNA-binding protein complex CBF3 subunit A, Centromere DNA-binding protein complex CBF3 subunit B, Centromere DNA-binding protein complex CBF3 subunit C, ... | Authors: | Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D. | Deposit date: | 2018-07-01 | Release date: | 2018-12-05 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Architecture of the CBF3-centromere complex of the budding yeast kinetochore. Nat. Struct. Mol. Biol., 25, 2018
|
|
4X55
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4x55 by Molmil](/molmil-images/mine/4x55) | Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
|
|
6TMO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6tmo by Molmil](/molmil-images/mine/6tmo) | Structure determination of an enhanced affinity TCR, a24b17, in complex with HLA-A*02:01 presenting a MART-1 peptide, EAAGIGILTV | Descriptor: | 1,2-ETHANEDIOL, Alpha chain of engineered high affinity T-cell receptor, Beta chain of high affinity engineered T-cell receptor, ... | Authors: | Rizkallah, P.J, Cole, D.K. | Deposit date: | 2019-12-05 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Rules Underpinning Enhanced Affinity Binding of Human T Cell Receptors Engineered for Immunotherapy. Mol Ther Oncolytics, 18, 2020
|
|
8CK2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ck2 by Molmil](/molmil-images/mine/8ck2) | MUC2 CysD1 G1352S | Descriptor: | ACETATE ION, CALCIUM ION, Mucin-2, ... | Authors: | Khmelnitsky, L, Fass, D. | Deposit date: | 2023-02-14 | Release date: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pulmonary Fibrosis Mutation Undermines Mucin 5B Supramolecular Assembly To Be Published
|
|
8CDS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cds by Molmil](/molmil-images/mine/8cds) | Crystal structure of the xhNup93-Nb4i VHH antibody | Descriptor: | 1,2-ETHANEDIOL, 5-Nup93 inhibitory VHH antibody, DI(HYDROXYETHYL)ETHER | Authors: | Guttler, T, Colom, M.S, Gorlich, D. | Deposit date: | 2023-02-01 | Release date: | 2024-02-21 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies. Embo J., 43, 2024
|
|
6DMA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6dma by Molmil](/molmil-images/mine/6dma) | DHD15_closed | Descriptor: | DHD15_closed_A, DHD15_closed_B | Authors: | Bick, M.J, Chen, Z, Baker, D. | Deposit date: | 2018-06-04 | Release date: | 2018-12-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.363 Å) | Cite: | Programmable design of orthogonal protein heterodimers. Nature, 565, 2019
|
|
7PJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pji by Molmil](/molmil-images/mine/7pji) | |
5IGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5igj by Molmil](/molmil-images/mine/5igj) | |
5IGW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5igw by Molmil](/molmil-images/mine/5igw) | |
4Q8D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q8d by Molmil](/molmil-images/mine/4q8d) | Crystal structure of a macrocyclic beta-sheet peptide containing two beta-strands from amyloid beta residues 15-23 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, macrocyclic beta-sheet peptide incorporating residues amyloid beta 15-23 | Authors: | Pham, J.D, Spencer, R.K, Chen, K.H, Nowick, J.S. | Deposit date: | 2014-04-26 | Release date: | 2014-08-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.746 Å) | Cite: | A Fibril-Like Assembly of Oligomers of a Peptide Derived from beta-Amyloid. J.Am.Chem.Soc., 136, 2014
|
|
7POB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pob by Molmil](/molmil-images/mine/7pob) | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | Deposit date: | 2021-09-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase. Acs Sustain Chem Eng, 11, 2023
|
|
7POC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7poc by Molmil](/molmil-images/mine/7poc) | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | Deposit date: | 2021-09-08 | Release date: | 2022-09-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase. Acs Sustain Chem Eng, 11, 2023
|
|
6GK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gk4 by Molmil](/molmil-images/mine/6gk4) | Human NBD1 of CFTR in complex with nanobodies D12 and T8 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, GLYCEROL, ... | Authors: | Sigoillot, M, Overtus, M, Grodecka, M, Scholl, D, Garcia-Pino, A, Laeremans, T, He, L, Pardon, E, Hildebrandt, E, Urbatsch, I, Steyaert, J, Riordan, J.R, Govaerts, C. | Deposit date: | 2018-05-18 | Release date: | 2019-06-19 | Last modified: | 2019-08-21 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Domain-interface dynamics of CFTR revealed by stabilizing nanobodies. Nat Commun, 10, 2019
|
|
2YA1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ya1 by Molmil](/molmil-images/mine/2ya1) | Product complex of a multi-modular glycogen-degrading pneumococcal virulence factor SpuA | Descriptor: | PUTATIVE ALKALINE AMYLOPULLULANASE, SODIUM ION, SULFATE ION, ... | Authors: | Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-17 | Release date: | 2011-04-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor. Structure, 19, 2011
|
|
3KFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3kfk by Molmil](/molmil-images/mine/3kfk) | Crystal structures of a group II chaperonin from Methanococcus maripaludis | Descriptor: | Chaperonin, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Pereira, J.H, Ralston, C.Y, Douglas, N, Meyer, D, Knee, K.M, Goulet, D.R, King, J.A, Frydman, J, Adams, P.D. | Deposit date: | 2009-10-27 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (6.003 Å) | Cite: | Crystal structures of a group II chaperonin reveal the open and closed states associated with the protein folding cycle. J.Biol.Chem., 285, 2010
|
|
6H2L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h2l by Molmil](/molmil-images/mine/6h2l) | |
7PPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
4WYY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4wyy by Molmil](/molmil-images/mine/4wyy) | Crystal Structure of P. aeruginosa AmpC | Descriptor: | Beta-lactamase, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Ferguson, A.D. | Deposit date: | 2014-11-18 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | 4,5-Disubstituted 6-Aryloxy-1,3-dihydrobenzo[c][1,2]oxaboroles Are Broad-Spectrum Serine beta-Lactamase Inhibitors. ACS Infect Dis, 1, 2015
|
|
5F6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f6v by Molmil](/molmil-images/mine/5f6v) | Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 1 (biphenol from fragment cocktail screen) | Descriptor: | 2-(2-hydroxyphenyl)phenol, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.492 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
|
|
4QF6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qf6 by Molmil](/molmil-images/mine/4qf6) | |
6D9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d9k by Molmil](/molmil-images/mine/6d9k) | Ternary RsAgo Complex with Guide RNA and Target DNA Containing A-G Non-canonical Pair | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*GP*GP*CP*AP*GP*TP*AP*AP*C)-3'), ... | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | Deposit date: | 2018-04-30 | Release date: | 2018-07-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA. Cell Rep, 24, 2018
|
|
6ZD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zd2 by Molmil](/molmil-images/mine/6zd2) | Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain | Descriptor: | SODIUM ION, Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-13 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|
6H41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h41 by Molmil](/molmil-images/mine/6h41) | |
6ZDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6zdq by Molmil](/molmil-images/mine/6zdq) | Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA | Descriptor: | RNA, Telomerase reverse transcriptase | Authors: | Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G. | Deposit date: | 2020-06-15 | Release date: | 2021-04-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.98 Å) | Cite: | Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡. Nucleic Acids Res., 49, 2021
|
|