8QMY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qmy by Molmil](/molmil-images/mine/8qmy) | |
6P95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p95 by Molmil](/molmil-images/mine/6p95) | Structure of Lassa virus glycoprotein in complex with Fab 25.6A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saphire, E.O, Hastie, K.M. | Deposit date: | 2019-06-09 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Convergent Structures Illuminate Features for Germline Antibody Binding and Pan-Lassa Virus Neutralization. Cell, 178, 2019
|
|
7KJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7kjf by Molmil](/molmil-images/mine/7kjf) | Wild-type epi-isozizaene synthase: complex with 3 Mg2+ and neridronate | Descriptor: | (6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Ronnebaum, T.A, Gardner, S.M, Christianson, D.W. | Deposit date: | 2020-10-26 | Release date: | 2020-12-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An Aromatic Cluster in the Active Site of epi -Isozizaene Synthase Is an Electrostatic Toggle for Divergent Terpene Cyclization Pathways. Biochemistry, 59, 2020
|
|
6Y32
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y32 by Molmil](/molmil-images/mine/6y32) | Structure of the GTPase heterodimer of human SRP54 and SRalpha | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, SULFATE ION, ... | Authors: | Juaire, K.D, Becker, M.M.M, Wild, K, Sinning, I. | Deposit date: | 2020-02-17 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia. Structure, 29, 2021
|
|
5U77
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u77 by Molmil](/molmil-images/mine/5u77) | Crystal structure of ORP8 PH domain | Descriptor: | FORMIC ACID, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium, Oxysterol-binding protein-related protein 8 | Authors: | Ghai, R, Yang, H. | Deposit date: | 2016-12-11 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.157 Å) | Cite: | ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane. Nat Commun, 8, 2017
|
|
6J0V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6j0v by Molmil](/molmil-images/mine/6j0v) | Crystal Structure of Yeast Rtt107 | Descriptor: | Regulator of Ty1 transposition protein 107 | Authors: | Wan, B, Wu, J, Lei, M. | Deposit date: | 2018-12-27 | Release date: | 2019-08-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.314 Å) | Cite: | Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107. Mol.Cell, 75, 2019
|
|
8REF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ref by Molmil](/molmil-images/mine/8ref) | Crystal structure of HLA B*13:01 in complex with SVLNDILARL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | Deposit date: | 2023-12-11 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
|
|
7L3Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l3y by Molmil](/molmil-images/mine/7l3y) | |
6YB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6yb7 by Molmil](/molmil-images/mine/6yb7) | SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19). | Descriptor: | 3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE | Authors: | Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A. | Deposit date: | 2020-03-16 | Release date: | 2020-03-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | COVID-19 main protease with unliganded active site To Be Published
|
|
6F10
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f10 by Molmil](/molmil-images/mine/6f10) | GLIC mutant D88N | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | Authors: | Hu, H.D, Delarue, M. | Deposit date: | 2017-11-21 | Release date: | 2018-01-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel. PLoS Biol., 15, 2017
|
|
6Y49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y49 by Molmil](/molmil-images/mine/6y49) | Crystal structure of the paraoxon-modified A.17kappa antibody FAB fragment | Descriptor: | A.17kappa antibody FAB fragment - Heavy Chain, A.17kappa antibody FAB fragment - Light Chain, DIETHYL PHOSPHONATE | Authors: | Chatziefthimiou, S, Mokrushina, Y, Smirnov, I, Gabibov, A, Wilmanns, M. | Deposit date: | 2020-02-19 | Release date: | 2020-09-16 | Last modified: | 2020-09-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Multiscale computation delivers organophosphorus reactivity and stereoselectivity to immunoglobulin scavengers. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
8A1H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a1h by Molmil](/molmil-images/mine/8a1h) | Bacterial 6-4 photolyase from Vibrio cholerase | Descriptor: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-4 photolyase (FeS-BCP, ... | Authors: | Essen, L.-O, Emmerich, H.J. | Deposit date: | 2022-06-01 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Functional Analysis of a Prokaryotic (6-4) Photolyase from the Aquatic Pathogen Vibrio Cholerae † . Photochem.Photobiol., 99, 2023
|
|
7L62
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7l62 by Molmil](/molmil-images/mine/7l62) | |
5F1A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f1a by Molmil](/molmil-images/mine/5f1a) | The Crystal Structure of Salicylate Bound to Human Cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-HYDROXYBENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lucido, M.J, Orlando, B.J, Malkowski, M.G. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal Structure of Aspirin-Acetylated Human Cyclooxygenase-2: Insight into the Formation of Products with Reversed Stereochemistry. Biochemistry, 55, 2016
|
|
7Q52
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q52 by Molmil](/molmil-images/mine/7q52) | Crystal structure of S/T protein kinase PknG from Mycobacterium tuberculosis in complex with inhibitor L2W | Descriptor: | 2-azanyl-3-(4-fluorophenyl)carbonyl-indolizine-1-carboxamide, FE (III) ION, SODIUM ION, ... | Authors: | Defelipe, L.A, Burastero, O, Bento, I, Garcia-Alai, M.M. | Deposit date: | 2021-11-02 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cosolvent Sites-Based Discovery of Mycobacterium Tuberculosis Protein Kinase G Inhibitors. J.Med.Chem., 65, 2022
|
|
6PBJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pbj by Molmil](/molmil-images/mine/6pbj) | The structure of 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase with Gly190Pro mutation | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ... | Authors: | Jiao, W, Fan, Y, Blackmore, N.J, Parker, E.J. | Deposit date: | 2019-06-13 | Release date: | 2020-04-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A single amino acid substitution uncouples catalysis and allostery in an essential biosynthetic enzyme in Mycobacterium tuberculosis . J.Biol.Chem., 295, 2020
|
|
8RBV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rbv by Molmil](/molmil-images/mine/8rbv) | SARS-CoV-2 Spike-derived peptide S976-984 S982A mutant (VLNDILARL) presented by HLA-A*02:01 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | Authors: | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | Deposit date: | 2023-12-05 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
|
|
6BDB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bdb by Molmil](/molmil-images/mine/6bdb) | I-OnuI K227Y, D236A bound to A3G substrate (pre-cleavage complex) | Descriptor: | DNA (26-MER), Ribosomal protein 3/homing endonuclease-like protein fusion | Authors: | Brown, C, Zhang, K, McMurrough, T.A, Laforet, M, Gloor, G.B, Edgell, D.R, Junop, M. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | I-OnuI K227Y, D236A bound to A3G substrate (pre-cleavage complex) To Be Published
|
|
6Y4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6y4q by Molmil](/molmil-images/mine/6y4q) | Structure of a stapled peptide bound to MDM2 | Descriptor: | ACE-LEU-THR-PHE-GLY-GLU-TYR-TRP-ALA-GLN-LEU-ALA-SER, E3 ubiquitin-protein ligase Mdm2, ~{N}-[(1-ethyl-1,2,3-triazol-4-yl)methyl]-~{N},5-dimethyl-4-[2-[2-methyl-5-[methyl-[(1-propyl-1,2,3-triazol-4-yl)methyl]carbamoyl]thiophen-3-yl]cyclopenten-1-yl]thiophene-2-carboxamide | Authors: | Pantelejevs, T, Bakanovych, I. | Deposit date: | 2020-02-22 | Release date: | 2020-05-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Diarylethene moiety as an enthalpy-entropy switch: photoisomerizable stapled peptides for modulating p53/MDM2 interaction. Org.Biomol.Chem., 18, 2020
|
|
6AQP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aqp by Molmil](/molmil-images/mine/6aqp) | Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions | Descriptor: | ACETYL COENZYME *A, Acetyl-CoA acetyltransferase, CHLORIDE ION, ... | Authors: | Marshall, A.C, Bond, C.S, Bruning, J.B. | Deposit date: | 2017-08-21 | Release date: | 2018-05-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
|
|
6PBR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pbr by Molmil](/molmil-images/mine/6pbr) | Catalytic domain of E.coli dihydrolipoamide succinyltransferase in I4 space group | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, SODIUM ION | Authors: | Andi, B, Soares, A.S, Shi, W, Fuchs, M.R, McSweeney, S, Liu, Q. | Deposit date: | 2019-06-14 | Release date: | 2019-06-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the dihydrolipoamide succinyltransferase catalytic domain from Escherichia coli in a novel crystal form: a tale of a common protein crystallization contaminant. Acta Crystallogr.,Sect.F, 75, 2019
|
|
7PP2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pp2 by Molmil](/molmil-images/mine/7pp2) | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-Pii with the host target Exo70F2 from Rice (Oryza sativa) | Descriptor: | AVR-Pii protein, Exocyst subunit Exo70 family protein, ZINC ION | Authors: | De la Concepcion, J.C, Bentham, A.R, Lawson, D, Banfield, M.J. | Deposit date: | 2021-09-13 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A blast fungus zinc-finger fold effector binds to a hydrophobic pocket in host Exo70 proteins to modulate immune recognition in rice. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7KER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ker by Molmil](/molmil-images/mine/7ker) | avibactam-CDD-1 45 minute complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, ... | Authors: | Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M. | Deposit date: | 2020-10-12 | Release date: | 2021-01-20 | Last modified: | 2021-05-26 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Inhibition of the Clostridioides difficile Class D beta-Lactamase CDD-1 by Avibactam. Acs Infect Dis., 7, 2021
|
|
6PFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pfl by Molmil](/molmil-images/mine/6pfl) | Crystal structure of Human HUWE1 WWE domain in complex with ADPR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, E3 ubiquitin-protein ligase HUWE1, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Zeng, H, Dong, A, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-21 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of Human HUWE1 WWE domain in complex with ADPR to be published
|
|
8RCV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8rcv by Molmil](/molmil-images/mine/8rcv) | Crystal structure of HLA B*13:01 in complex with SVLNDIFSRL, an 10-mer epitope from SARS-CoV-2 Spike (S975-984) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, HLA class I histocompatibility antigen B alpha chain, ... | Authors: | Ahn, Y.M, Maddumage, J.C, Szeto, C, Gras, S. | Deposit date: | 2023-12-07 | Release date: | 2024-05-15 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific. Curr Res Struct Biol, 7, 2024
|
|