7ZRC
| OMI-38 FAB IN COMPLEX WITH SARS-COV-2 BETA SPIKE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Omi-38 Fab Heavy Chain, ... | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | Deposit date: | 2022-05-04 | Release date: | 2022-06-01 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Potent cross-reactive antibodies following Omicron breakthrough in vaccinees. Cell, 185, 2022
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6F2H
| Structure of Protease 1 from Pyrococcus horikoshii co-crystallized in presence of 10 mM Tb-Xo4 and potassium iodide. | Descriptor: | Deglycase PH1704, IODIDE ION, TERBIUM(III) ION, ... | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Franzetti, B, Girard, E, Dumont, E, Maury, O. | Deposit date: | 2017-11-24 | Release date: | 2018-10-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Unveiling the Binding Modes of the Crystallophore, a Terbium-based Nucleating and Phasing Molecular Agent for Protein Crystallography. Chemistry, 24, 2018
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6P3D
| The co-crystal structure of BRAF(V600E) with ponatinib | Descriptor: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, AMMONIUM ION, ... | Authors: | Agianian, B, Gavathiotis, E. | Deposit date: | 2019-05-23 | Release date: | 2020-09-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Inhibitors of BRAF dimers using an allosteric site. Nat Commun, 11, 2020
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6BAP
| Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-14 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
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6VEC
| Cryo-EM structure of F-actin/Plastin2-ABD2 complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Zheng, W, Kudryashov, D.S, Egelman, E.H. | Deposit date: | 2019-12-31 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Osteogenesis imperfecta mutations in plastin 3 lead to impaired calcium regulation of actin bundling. Bone Res, 8, 2020
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6BAY
| Stigmatella aurantiaca bacterial phytochrome P1, PAS-GAF-PHY T289H mutant, room temperature structure | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-16 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
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6P9I
| crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab | Descriptor: | human anti staphylococcus aureus antibody STAU-399 Fab heavy chain, human anti staphylococcus aureus antibody STAU-399 Fab light chain | Authors: | Dong, J, Crowe, J.E. | Deposit date: | 2019-06-10 | Release date: | 2020-06-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis. Mbio, 10, 2019
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7SVV
| TnsBctd-TnsC complex | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Park, J, Tsai, A.W.T, Kellogg, E.H. | Deposit date: | 2021-11-19 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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7QCZ
| Structure of the orange carotenoid protein from Planktothrix agardhii binding canthaxanthin in the C2 space group | Descriptor: | Orange carotenoid-binding protein, beta,beta-carotene-4,4'-dione | Authors: | Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P. | Deposit date: | 2021-11-25 | Release date: | 2022-07-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type. Biochim Biophys Acta Bioenerg, 1863, 2022
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8UWV
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7QUQ
| BtubA(R284G,K286D,F287G):BtubB bacterial tubulin M-loop mutant forming a single protofilament (Prosthecobacter dejongeii) | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Tubulin beta, Tubulin domain-containing protein | Authors: | Wagstaff, J, Planelles-Herrero, V.J, Derivery, E, Lowe, J. | Deposit date: | 2022-01-18 | Release date: | 2022-09-21 | Last modified: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Diverse cytomotive actins and tubulins share a polymerization switch mechanism conferring robust dynamics. Sci Adv, 9, 2023
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6N3S
| Crystal structure of apo-cruzain | Descriptor: | 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION | Authors: | Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H. | Deposit date: | 2018-11-16 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.193 Å) | Cite: | Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design. Acta Crystallogr.,Sect.F, 75, 2019
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8U1K
| Cryo-EM of Caulobacter crescentus Tad pilus | Descriptor: | PilA | Authors: | Sonani, R.R, Sanchez, J.C, Baumgardt, J.K, Wright, E.R, Egelman, E.H. | Deposit date: | 2023-09-01 | Release date: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Tad and toxin-coregulated pilus structures reveal unexpected diversity in bacterial type IV pili. Proc.Natl.Acad.Sci.USA, 120, 2023
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5M95
| STAPHYLOCOCCUS CAPITIS DIVALENT METAL ION TRANSPORTER (DMT) IN COMPLEX WITH MANGANESE | Descriptor: | CAMELID ANTIBODY FRAGMENT, NANOBODY, Divalent metal cation transporter MntH, ... | Authors: | Ehrnstorfer, I.A, Geertsma, E.R, Pardon, E, Steyaert, J, Dutzler, R. | Deposit date: | 2016-10-31 | Release date: | 2016-11-30 | Last modified: | 2019-09-25 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal Structure Of A Slc11 (Nramp) Transporter Reveals The Basis For Transition-Metal Ion Transport. Nat.Struct.Mol.Biol., 21, 2014
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5FI5
| HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - APO FORM | Descriptor: | PHOSPHATE ION, Tetrahydroalstonine synthase, ZINC ION | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | Deposit date: | 2015-12-22 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity. Nat Commun, 7, 2016
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6SP4
| KEAP1 IN COMPLEX WITH COMPOUND 23 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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6PJH
| HIV-1 Protease NL4-3 WT in Complex with LR3-28 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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5MBT
| CeuE (H227L, Y288F variant) a periplasmic protein from Campylobacter jejuni | Descriptor: | Enterochelin uptake periplasmic binding protein | Authors: | Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S. | Deposit date: | 2016-11-08 | Release date: | 2017-04-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Sci Rep, 7, 2017
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6PM9
| Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | Descriptor: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | Authors: | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | Deposit date: | 2019-07-01 | Release date: | 2019-09-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J.Med.Chem., 62, 2019
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6VC0
| Crystal structure of the horse MLKL pseudokinase domain | Descriptor: | GLYCEROL, Mixed lineage kinase domain like pseudokinase | Authors: | Davies, K.A, Czabotar, P.E. | Deposit date: | 2019-12-19 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.746 Å) | Cite: | Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues. Nat Commun, 11, 2020
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6PNR
| A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ | Descriptor: | Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | Authors: | Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. | Deposit date: | 2019-07-03 | Release date: | 2020-07-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ To Be Published
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6PPQ
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6VGN
| ClpP1P2 complex from M. tuberculosis bound to ADEP | Descriptor: | ATP-dependent Clp protease proteolytic subunit, ATP-dependent Clp protease proteolytic subunit 1, R0M-WFP-ALO-PRO-YCP-ALA-MP8 | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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8PI3
| Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CADMIUM ION, ... | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | Deposit date: | 2023-06-21 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 2024
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6PGL
| Structure of Kluyveromyces marxianus Usb1 with uridine monophosphate | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, GLYCEROL, ... | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2019-06-24 | Release date: | 2019-12-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.845 Å) | Cite: | Structural basis for the evolution of cyclic phosphodiesterase activity in the U6 snRNA exoribonuclease Usb1. Nucleic Acids Res., 48, 2020
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