7BI1
| XFEL crystal structure of soybean ascorbate peroxidase compound II | Descriptor: | Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2021-01-12 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | XFEL Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl., 60, 2021
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7BHV
| Crystal structure of MAT2a bound to allosteric inhibitor and in vivo tool compound 28 | Descriptor: | 7-chloranyl-4-(dimethylamino)-1-phenyl-quinazolin-2-one, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | Authors: | Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S. | Deposit date: | 2021-01-11 | Release date: | 2021-04-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model. J.Med.Chem., 64, 2021
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7BIU
| XFEL crystal structure of cytochrome c peroxidase compound II | Descriptor: | Cytochrome c peroxidase, mitochondrial, HEME C | Authors: | Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E. | Deposit date: | 2021-01-13 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | XFEL Crystal Structures of Peroxidase Compound II. Angew.Chem.Int.Ed.Engl., 60, 2021
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2WIG
| NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | Deposit date: | 2009-05-11 | Release date: | 2009-05-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
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8AQU
| BA.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | Deposit date: | 2022-08-13 | Release date: | 2023-03-01 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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7QWS
| Structure of ribosome translating beta-tubulin in complex with TTC5 and NAC | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | Authors: | Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E. | Deposit date: | 2022-01-25 | Release date: | 2022-03-09 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting. Science, 375, 2022
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4PAX
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8R3T
| Cofactor-free Tau 4R2N isoform | Descriptor: | Microtubule-associated protein tau | Authors: | Limorenko, G, Tatli, M, Kolla, R, Nazarov, S, Weil, M.T, Schondorf, D.C, Geist, D, Reinhardt, P, Ehrnhoefer, D.E, Stahlberg, H, Gasparini, L, Lashuel, H.A. | Deposit date: | 2023-11-10 | Release date: | 2023-12-06 | Last modified: | 2024-01-24 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Fully co-factor-free ClearTau platform produces seeding-competent Tau fibrils for reconstructing pathological Tau aggregates. Nat Commun, 14, 2023
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2WOL
| Clavulanic acid biosynthesis oligopeptide binding protein 2 | Descriptor: | CLAVULANIC ACID BIOSYNTHESIS OLIGOPEPTIDE BINDING PROTEIN 2, GLYCEROL | Authors: | MacKenzie, A.K, Valegard, K, Iqbal, A, Caines, M.E.C, Kershaw, N.J, Jensen, S.E, Schofield, C.J, Andersson, I. | Deposit date: | 2009-07-27 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structures of an Oligopeptide-Binding Protein from the Biosynthetic Pathway of the Beta-Lactamase Inhibitor Clavulanic Acid. J.Mol.Biol., 396, 2010
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5TUB
| Crystal Structure of the Shark TBC1D15 GAP Domain | Descriptor: | Shark TBC1D15 GTPase-activating Protein | Authors: | Chen, Y.-N, Wang, W, Cheng, D, Ge, Y, Gu, X, Zhou, X.E, Ye, F, Xu, H.E, Lv, Z. | Deposit date: | 2016-11-05 | Release date: | 2017-02-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of TBC1D15 GTPase-activating protein (GAP) domain and its activity on Rab GTPases. Protein Sci., 26, 2017
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8R37
| Klebsiella pneumoniae fosfomycin-resistance protein (FosAKP) | Descriptor: | FOSFOMYCIN, FosA family fosfomycin resistance glutathione transferase, L(+)-TARTARIC ACID, ... | Authors: | Papageorgiou, A.C, Varotsou, C, Labrou, N.E. | Deposit date: | 2023-11-08 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Structural Studies of Klebsiella pneumoniae Fosfomycin-Resistance Protein and Its Application for the Development of an Optical Biosensor for Fosfomycin Determination. Int J Mol Sci, 25, 2023
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8R6Q
| Co-crystal structure of PD-L1 with low molecular weight inhibitor | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | Authors: | Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J. | Deposit date: | 2023-11-22 | Release date: | 2024-01-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives. Acs Med.Chem.Lett., 15, 2024
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2X40
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8DEO
| Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis | Descriptor: | Accumulation associated protein, CALCIUM ION, CHLORIDE ION | Authors: | Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R. | Deposit date: | 2022-06-21 | Release date: | 2023-05-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface. J.Biol.Chem., 299, 2023
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7BBS
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5EZR
| Crystal Structure of PVX_084705 bound to compound | Descriptor: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | Authors: | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-26 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PVX_084705 bound to compound To Be Published
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6DAU
| Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae | Descriptor: | GLYCEROL, Spermidine N1-acetyltransferase | Authors: | Filippova, E.V, Minasov, G, Beahan, A, Kulyavtsev, P, Tan, L, Tran, D, Kuhn, M.L, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-02 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystal structure of E33Q and E41Q mutant forms of the spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae. To be Published
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8CSJ
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5U03
| Cryo-EM structure of the human CTP synthase filament | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase 1, URIDINE 5'-TRIPHOSPHATE | Authors: | Lynch, E.M, Kollman, J.M. | Deposit date: | 2016-11-22 | Release date: | 2017-04-26 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (6.1 Å) | Cite: | Human CTP synthase filament structure reveals the active enzyme conformation. Nat. Struct. Mol. Biol., 24, 2017
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4ELB
| Structure-activity relationship guides enantiomeric preference among potent inhibitors of B. anthracis dihydrofolate reductase | Descriptor: | (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1R)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, (2E)-3-{5-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dimethoxyphenyl}-1-[(1S)-1-phenylphthalazin-2(1H)-yl]prop-2-en-1-one, CALCIUM ION, ... | Authors: | Bourne, C.R, Barrow, W.W. | Deposit date: | 2012-04-10 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-activity relationship for enantiomers of potent inhibitors of B. anthracis dihydrofolate reductase. Biochim.Biophys.Acta, 1834, 2013
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7QPG
| Human RZZ kinetochore corona complex. | Descriptor: | Centromere/kinetochore protein zw10 homolog, Kinetochore-associated protein 1, Protein zwilch homolog | Authors: | Raisch, T, Ciossani, G, d'Amico, E, Cmetowski, V, Carmignani, S, Maffini, S, Merino, F, Wohlgemuth, S, Vetter, I.R, Raunser, S, Musacchio, A. | Deposit date: | 2022-01-04 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the RZZ complex and molecular basis of Spindly-driven corona assembly at human kinetochores. Embo J., 41, 2022
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2WUG
| Crystal structure of S114A mutant of HsaD from Mycobacterium tuberculosis in complex with HOPDA | Descriptor: | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE, 2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOATE HYDROLASE BPHD, GLYCEROL, ... | Authors: | Lack, N.A, Yam, K.C, Lowe, E.D, Horsman, G.P, Owen, R.L, Sim, E, Eltis, L.D. | Deposit date: | 2009-10-02 | Release date: | 2009-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of a C-C Hydrolase from Mycobacterium Tuberuclosis Involved in Cholesterol Metabolism. J.Biol.Chem., 285, 2010
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1PKZ
| Crystal structure of human glutathione transferase (GST) A1-1 | Descriptor: | 2-HYDROXYETHYL DISULFIDE, Glutathione S-transferase A1 | Authors: | Grahn, E, Jakobsson, E, Gustafsson, A, Grehn, L, Olin, B, Wahlberg, M, Madsen, D, Kleywegt, G.J, Mannervik, B. | Deposit date: | 2003-06-06 | Release date: | 2004-06-22 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New crystal structures of human glutathione transferase A1-1 shed light on glutathione binding and the conformation of the C-terminal helix. Acta Crystallogr.,Sect.D, 62, 2006
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2N2A
| Spatial structure of HER2/ErbB2 dimeric transmembrane domain in the presence of cytoplasmic juxtamembrane domains | Descriptor: | Receptor tyrosine-protein kinase erbB-2 | Authors: | Bragin, P.E, Mineev, K.S, Bocharov, E, Bocharova, O, Arseniev, A. | Deposit date: | 2015-05-05 | Release date: | 2016-02-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | HER2 Transmembrane Domain Dimerization Coupled with Self-Association of Membrane-Embedded Cytoplasmic Juxtamembrane Regions. J.Mol.Biol., 428, 2016
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7QWQ
| Ternary complex of ribosome nascent chain with SRP and NAC | Descriptor: | 28S rRNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ... | Authors: | Jomaa, A, Gamerdinger, M, Hsieh, H, Wallisch, A, Chandrasekaran, V, Ulusoy, Z, Scaiola, A, Hegde, R, Shan, S, Ban, N, Deuerling, E. | Deposit date: | 2022-01-25 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.83 Å) | Cite: | Mechanism of signal sequence handover from NAC to SRP on ribosomes during ER-protein targeting. Science, 375, 2022
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