8J0A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j0a by Molmil](/molmil-images/mine/8j0a) | Robust design of effective allosteric activator UbV R4 for Rsp5 E3 ligase using the machine-learning tool ProteinMPNN | Descriptor: | SULFATE ION, Ubiquitin variant R4 | Authors: | Lin, Y.-F, Hsieh, Y.-J, Kao, H.-W, Ko, T.-P, Wu, K.-P. | Deposit date: | 2023-04-10 | Release date: | 2023-08-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Robust Design of Effective Allosteric Activators for Rsp5 E3 Ligase Using the Machine Learning Tool ProteinMPNN. Acs Synth Biol, 12, 2023
|
|
9BKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 9bkk by Molmil](/molmil-images/mine/9bkk) | Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex | Descriptor: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | Deposit date: | 2024-04-29 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling To Be Published
|
|
5MFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mfj by Molmil](/molmil-images/mine/5mfj) | Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)5 | Descriptor: | (KR)5, YIII(Dq.V2)4CqI | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
|
|
7NSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nsg by Molmil](/molmil-images/mine/7nsg) | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B | Descriptor: | (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S.M.M, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2021-03-05 | Release date: | 2022-03-16 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with HIP-B TO BE PUBLISHED
|
|
7ZRH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zrh by Molmil](/molmil-images/mine/7zrh) | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
|
|
6JHM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6jhm by Molmil](/molmil-images/mine/6jhm) | |
8J6T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j6t by Molmil](/molmil-images/mine/8j6t) | Cryo-EM structure of the double CAF-1 bound right-handed Di-tetrasome | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | Deposit date: | 2023-04-26 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (6.6 Å) | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1. Science, 381, 2023
|
|
7ZRJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7zrj by Molmil](/molmil-images/mine/7zrj) | Cryo-EM structure of the KdpFABC complex in a nucleotide-free E1 conformation loaded with K+ | Descriptor: | CARDIOLIPIN, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ... | Authors: | Hielkema, L, Stock, C, Silberberg, J.M, Corey, R.A, Wunnicke, D, Stansfeld, P.J, Haenelt, I, Paulino, C. | Deposit date: | 2022-05-04 | Release date: | 2022-11-16 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Inhibited KdpFABC transitions into an E1 off-cycle state. Elife, 11, 2022
|
|
8J6S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j6s by Molmil](/molmil-images/mine/8j6s) | Cryo-EM structure of the single CAF-1 bound right-handed Di-tetrasome | Descriptor: | Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ... | Authors: | Liu, C.P, Yu, Z.Y, Xu, R.M. | Deposit date: | 2023-04-26 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1. Science, 381, 2023
|
|
6RMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rmq by Molmil](/molmil-images/mine/6rmq) | Crystal structure of a selenomethionine-substituted A70M I84M mutant of the essential repressor DdrO from radiation resistant-Deinococcus bacteria (Deinococcus deserti) | Descriptor: | HTH-type transcriptional regulator DdrOC | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L. | Deposit date: | 2019-05-07 | Release date: | 2019-10-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus. Nucleic Acids Res., 47, 2019
|
|
7TQL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tql by Molmil](/molmil-images/mine/7tql) | CryoEM structure of the human 40S small ribosomal subunit in complex with translation initiation factors eIF1A and eIF5B. | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Lapointe, C.P, Grosely, R, Sokabe, M, Alvarado, C, Wang, J, Montabana, E, Villa, N, Shin, B, Dever, T, Fraser, C, Fernandez, I.S, Puglisi, J.D. | Deposit date: | 2022-01-26 | Release date: | 2022-04-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | eIF5B and eIF1A reorient initiator tRNA to allow ribosomal subunit joining. Nature, 607, 2022
|
|
1A8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1a8t by Molmil](/molmil-images/mine/1a8t) | METALLO-BETA-LACTAMASE IN COMPLEX WITH L-159,061 | Descriptor: | 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-4-ONE, METALLO-BETA-LACTAMASE, ZINC ION | Authors: | Fitzgerald, P.M.D, Toney, J.H, Grover, N, Vanderwall, D. | Deposit date: | 1998-03-23 | Release date: | 1998-10-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase. Chem.Biol., 5, 1998
|
|
6RYU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ryu by Molmil](/molmil-images/mine/6ryu) | Nucleosome-CHD4 complex structure (two CHD4 copies) | Descriptor: | Chromodomain-helicase-DNA-binding protein 4,CHD4,Chromodomain-helicase-DNA-binding protein 4, DNA (149-MER), Histone H2A type 1, ... | Authors: | Farnung, L, Ochmann, M, Cramer, P. | Deposit date: | 2019-06-12 | Release date: | 2020-07-15 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Nucleosome-CHD4 chromatin remodeller structure maps human disease mutations. Elife, 9, 2020
|
|
6RZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6rzx by Molmil](/molmil-images/mine/6rzx) | Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
|
|
5NBL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nbl by Molmil](/molmil-images/mine/5nbl) | Crystal structure of the Arp4-N-actin(APO-state) heterodimer bound by a nanobody | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, Actin-related protein 4, ... | Authors: | Knoll, K.R, Eustermann, S, Hopfner, K.P. | Deposit date: | 2017-03-02 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The nuclear actin-containing Arp8 module is a linker DNA sensor driving INO80 chromatin remodeling. Nat. Struct. Mol. Biol., 25, 2018
|
|
6Z1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6z1z by Molmil](/molmil-images/mine/6z1z) | Structure of the anti-CD9 nanobody 4C8 | Descriptor: | Nanobody 4C8 | Authors: | Neviani, N, Oosterheert, W, Pearce, N.M, Lutz, M, Kroon-Batenburg, L.M.J, Gros, P. | Deposit date: | 2020-05-14 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F. Life Sci Alliance, 3, 2020
|
|
5JPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jpr by Molmil](/molmil-images/mine/5jpr) | Neutron Structure of Compound II of Ascorbate Peroxidase | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Kwon, H, Blakeley, M.P, Raven, E.L, Moody, P.C.E. | Deposit date: | 2016-05-04 | Release date: | 2016-12-21 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.806 Å), X-RAY DIFFRACTION | Cite: | Direct visualization of a Fe(IV)-OH intermediate in a heme enzyme. Nat Commun, 7, 2016
|
|
4YIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4yik by Molmil](/molmil-images/mine/4yik) | Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU | Descriptor: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'(3')-deoxyribonucleotidase, ... | Authors: | Pachl, P, Rezacova, P, Brynda, J. | Deposit date: | 2015-03-02 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor Medchemcomm, 6, 2015
|
|
7SYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7syh by Molmil](/molmil-images/mine/7syh) | Structure of the HCV IRES binding to the 40S ribosomal subunit, closed conformation. Structure 2(delta dII) | Descriptor: | 18S rRNA, 40S ribosomal protein S21, 40S ribosomal protein S24, ... | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | Deposit date: | 2021-11-25 | Release date: | 2022-07-13 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Molecular architecture of 40S initiation complexes on the Hepatitis C virus IRES: from ribosomal attachment to eIF5B-mediated reorientation of initiator tRNA To Be Published
|
|
4YBM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ybm by Molmil](/molmil-images/mine/4ybm) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b) | Descriptor: | GLYCEROL, N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide, SULFATE ION, ... | Authors: | Poncet-Montange, G, Palmer, W, Jones, P. | Deposit date: | 2015-02-18 | Release date: | 2015-06-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
|
|
7SYV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7syv by Molmil](/molmil-images/mine/7syv) | Structure of the wt IRES eIF5B-containing pre-48S initiation complex, open conformation. Structure 14(wt) | Descriptor: | 18S rRNA, 40S ribosomal protein S2, 40S ribosomal protein S21, ... | Authors: | Brown, Z.P, Abaeva, I.S, De, S, Hellen, C.U.T, Pestova, T.V, Frank, J. | Deposit date: | 2021-11-25 | Release date: | 2022-07-20 | Last modified: | 2023-02-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Molecular architecture of 40S translation initiation complexes on the hepatitis C virus IRES. Embo J., 41, 2022
|
|
8AGT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8agt by Molmil](/molmil-images/mine/8agt) | Yeast RQC complex in state F | Descriptor: | 25S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Tesina, P, Buschauer, R, Beckmann, R. | Deposit date: | 2022-07-20 | Release date: | 2023-03-08 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Molecular basis of eIF5A-dependent CAT tailing in eukaryotic ribosome-associated quality control. Mol.Cell, 83, 2023
|
|
8AKM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8akm by Molmil](/molmil-images/mine/8akm) | Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
|
|
6QH6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qh6 by Molmil](/molmil-images/mine/6qh6) | AP2 clathrin adaptor core with two cargo peptides in open+ conformation | Descriptor: | AP-2 complex subunit alpha, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Wrobel, A.G, Owen, D.J, McCoy, A.J, Evans, P.R. | Deposit date: | 2019-01-15 | Release date: | 2019-09-04 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Temporal Ordering in Endocytic Clathrin-Coated Vesicle Formation via AP2 Phosphorylation. Dev.Cell, 50, 2019
|
|
8AKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8akj by Molmil](/molmil-images/mine/8akj) | Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
|
|