7OSQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7osq by Molmil](/molmil-images/mine/7osq) | Crystal structure of UDP-N-acetylenolpyruvoylglucosamine reductase (MurB) from Pseudomonas aeruginosa in complex with FAD and a pyrazole derivative (fragment 18) | Descriptor: | 5-methyl-1-phenyl-1,2,3-triazole-4-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, UDP-N-acetylenolpyruvoylglucosamine reductase | Authors: | Acebron-Garcia de Eulate, M, Mayol-Llinas, J, Blundell, T.L, Kim, S.Y, Mendes, V, Abell, C. | Deposit date: | 2021-06-09 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Discovery of Novel Inhibitors of Uridine Diphosphate- N -Acetylenolpyruvylglucosamine Reductase (MurB) from Pseudomonas aeruginosa , an Opportunistic Infectious Agent Causing Death in Cystic Fibrosis Patients. J.Med.Chem., 65, 2022
|
|
7OOR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oor by Molmil](/molmil-images/mine/7oor) | NaK C-DI mutant with Na+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
|
|
7OPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oph by Molmil](/molmil-images/mine/7oph) | NaK S-DI mutant with Na+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-31 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
|
|
7OOU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oou by Molmil](/molmil-images/mine/7oou) | NaK C-DI mutant with Li+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-05-28 | Release date: | 2022-06-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
|
|
7OQ1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oq1 by Molmil](/molmil-images/mine/7oq1) | NaK S-ELM mutant with Na+ and K+ | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
|
|
7OQ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7oq2 by Molmil](/molmil-images/mine/7oq2) | NaK S-DI mutant soaked in Na+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-06-02 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
|
|
8OVR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ovr by Molmil](/molmil-images/mine/8ovr) | |
8OWF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8owf by Molmil](/molmil-images/mine/8owf) | Clostridium perfringens chitinase CP4_3455 with chitosan | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ... | Authors: | Bloch, Y, Savvides, S.N. | Deposit date: | 2023-04-27 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Clostridium perfringens chitinase CP4_3455 with chitosan To Be Published
|
|
8OXU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8oxu by Molmil](/molmil-images/mine/8oxu) | Crystal Structure of the Hsp90-LA1011 Complex | Descriptor: | ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate | Authors: | Roe, S.M, Prodromou, C. | Deposit date: | 2023-05-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease. Biomolecules, 13, 2023
|
|
7PA0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pa0 by Molmil](/molmil-images/mine/7pa0) | NaK C-DI F92A mutant with Rb+ and K+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2021-07-28 | Release date: | 2022-08-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Asymmetry and Ion Selectivity Properties of Bacterial Channel NaK Mutants Derived from Ionotropic Glutamate Receptors. J.Mol.Biol., 435, 2023
|
|
8PHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8phv by Molmil](/molmil-images/mine/8phv) | Structure of Human selenomethionylated Cdc123 bound to domain 3 of eIF2 gamma | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division cycle protein 123 homolog, Eukaryotic translation initiation factor 2 subunit 3 | Authors: | Schmitt, E, Mechulam, Y, Cardenal Peralta, C, Fagart, J, Seufert, W. | Deposit date: | 2023-06-20 | Release date: | 2023-08-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Binding of human Cdc123 to eIF2 gamma. J.Struct.Biol., 215, 2023
|
|
7PQE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pqe by Molmil](/molmil-images/mine/7pqe) | |
8PKU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pku by Molmil](/molmil-images/mine/8pku) | Kelch domain of KEAP1 in complex with ortho-dimethylbenzene linked cyclic peptide 3 (ortho-WRCDEETGEC). | Descriptor: | (2-methylphenyl)methanol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Braun, M.B, Bischof, L, Hartmann, M.D. | Deposit date: | 2023-06-27 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Computational Prediction of Cyclic Peptide Structural Ensembles and Application to the Design of Keap1 Binders. J.Chem.Inf.Model., 63, 2023
|
|
8P0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8p0e by Molmil](/molmil-images/mine/8p0e) | |
8PKC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8pkc by Molmil](/molmil-images/mine/8pkc) | |
7PV8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pv8 by Molmil](/molmil-images/mine/7pv8) | |
8Q6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8q6b by Molmil](/molmil-images/mine/8q6b) | The RSL-D32N - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, obtained by cross-seeding | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Flood, R.J, Crowley, P.B. | Deposit date: | 2023-08-11 | Release date: | 2024-03-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Supramolecular Synthons in Protein-Ligand Frameworks. Cryst.Growth Des., 24, 2024
|
|
7PTH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pth by Molmil](/molmil-images/mine/7pth) | |
7PJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pjh by Molmil](/molmil-images/mine/7pjh) | Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8 | Descriptor: | Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog | Authors: | Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G. | Deposit date: | 2021-08-24 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8. Acta Crystallogr D Struct Biol, 78, 2022
|
|
8OT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ot2 by Molmil](/molmil-images/mine/8ot2) | Structural and functional studies of geldanamycin amide synthase ShGdmF | Descriptor: | 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ... | Authors: | Ewert, W, Zeilinger, C, Kirschning, A, Preller, M. | Deposit date: | 2023-04-20 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Structural and functional studies of geldanamycin amide synthase ShGdmF To Be Published
|
|
7PUX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pux by Molmil](/molmil-images/mine/7pux) | Structure of p97 N-D1(L198W) in complex with Fragment TROLL2 | Descriptor: | (1S)-2-amino-1-(4-bromophenyl)ethan-1-ol, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bothe, S, Schindelin, H. | Deposit date: | 2021-10-01 | Release date: | 2022-12-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Fragment screening using biolayer interferometry reveals ligands targeting the SHP-motif binding site of the AAA+ ATPase p97 Commun Chem, 5, 2022
|
|
7QIV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qiv by Molmil](/molmil-images/mine/7qiv) | Structure of human C3b in complex with the EWE nanobody | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | Authors: | Pedersen, H, Andersen, G.R. | Deposit date: | 2021-12-16 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Guided Engineering of a Complement Component C3-Binding Nanobody Improves Specificity and Adds Cofactor Activity. Front Immunol, 13, 2022
|
|
8QZO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qzo by Molmil](/molmil-images/mine/8qzo) | |
8QU4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu4 by Molmil](/molmil-images/mine/8qu4) | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ... | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|
8QU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qu3 by Molmil](/molmil-images/mine/8qu3) | NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ... | Authors: | Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S. | Deposit date: | 2023-10-13 | Release date: | 2024-03-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y. Chembiochem, 25, 2024
|
|