6HVF
 
 | | Kinase domain of cSrc in complex with compound 29B | | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | | Authors: | Keul, M, Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-10 | | Release date: | 2019-10-23 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S.
Chem Sci, 10, 2019
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1LJ7
 | | Crystal structure of calcium-depleted human C-reactive protein from perfectly twinned data | | Descriptor: | C-reactive protein | | Authors: | Ramadan, M.A, Shrive, A.K, Holden, D, Myles, D.A, Volanakis, J.E, DeLucas, L.J, Greenhough, T.J. | | Deposit date: | 2002-04-19 | | Release date: | 2002-06-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The three-dimensional structure of calcium-depleted human C-reactive protein from perfectly twinned crystals.
Acta Crystallogr.,Sect.D, 58, 2002
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6HWT
 | | Crystal structure of p38alpha in complex with a reduced photoswitchable 2-Azothiazol-based Inhibitor (compound 31) | | Descriptor: | 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-(2-phenylhydrazinyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Mueller, M.P, Rauh, D. | | Deposit date: | 2018-10-15 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach.
Photochem. Photobiol. Sci., 18, 2019
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1KZS
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6ZIZ
 | | CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 | | Descriptor: | (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one, GTPase NRas, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kessler, D, Fischer, G, Boettcher, J. | | Deposit date: | 2020-06-26 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Drugging all RAS isoforms with one pocket.
Future Med Chem, 12, 2020
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6HZH
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6ZKL
 | | Complex I inhibited by rotenone, open1 | | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6YU2
 | | Crystal structure of MhsT in complex with L-isoleucine | | Descriptor: | ISOLEUCINE, SODIUM ION, Sodium-dependent transporter, ... | | Authors: | Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P. | | Deposit date: | 2020-04-25 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
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1LOK
 | | The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica Complexed with Tris: A Tale of Buffer Inhibition | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bacterial leucyl aminopeptidase, SODIUM ION, ... | | Authors: | Desmarais, W.T, Bienvenue, D.L, Bzymek, K.P, Holz, R.C, Petsko, G.A, Ringe, D. | | Deposit date: | 2002-05-06 | | Release date: | 2002-11-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The 1.20 Angstrom Resolution Crystal Structure of the Aminopeptidase from Aeromonas proteolytica Complexed with Tris A tale of Buffer Inhibition
Structure, 10, 2002
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1L1S
 | | Structure of Protein of Unknown Function MTH1491 from Methanobacterium thermoautotrophicum | | Descriptor: | hypothetical protein MTH1491 | | Authors: | Christendat, D, Saridakis, V, Kim, Y, Kumar, P.A, Xu, X, Semesi, A, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-02-19 | | Release date: | 2002-05-29 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of hypothetical protein MTH1491 from Methanobacterium thermoautotrophicum.
Protein Sci., 11, 2002
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6YSI
 | | Acinetobacter baumannii ribosome-tigecycline complex - 50S subunit | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ... | | Authors: | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | | Deposit date: | 2020-04-22 | | Release date: | 2020-09-16 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
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6HPI
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6B1B
 | | STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme) | | Descriptor: | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide | | Authors: | Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P. | | Deposit date: | 2017-09-18 | | Release date: | 2019-05-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.944 Å) | | Cite: | Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
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6ZAU
 | | Damage-free nitrite-bound copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) determined by serial femtosecond rotation crystallography | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Antonyuk, S.V, Sasaki, D, Yamashita, K, Hirata, K, Ueno, G, Ago, H, Eady, R.R, Tosha, T, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2020-06-05 | | Release date: | 2021-01-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | An unprecedented insight into the catalytic mechanism of copper nitrite reductase from atomic-resolution and damage-free structures.
Sci Adv, 7, 2021
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6ZCN
 | | Crystal structure of YTHDC1 with m6A | | Descriptor: | N6-METHYLADENOSINE-5'-MONOPHOSPHATE, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-06-11 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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6HVK
 | | Pepducin UT-Pep2 a biased allosteric agonist of Urotensin-II receptor | | Descriptor: | Urotensin-2 receptor | | Authors: | Carotenuto, A, Hoang, T.A, Nassour, H, Martin, R.D, Billard, E, Myriam, L, Novellino, E, Tanny, J.C, Fournier, A, Hebert, T.E, Chatenet, D. | | Deposit date: | 2018-10-11 | | Release date: | 2019-10-30 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Lipidated peptides derived from intracellular loops 2 and 3 of the urotensin II receptor act as biased allosteric ligands.
J.Biol.Chem., 297, 2021
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6YV1
 | | Structure of human b(0,+)AT1 | | Descriptor: | b(0,+)-type amino acid transporter 1 | | Authors: | Wu, D, Safarian, S, Michel, H. | | Deposit date: | 2020-04-27 | | Release date: | 2021-01-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for amino acid exchange by a human heteromeric amino acid transporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6ZD0
 | | Disulfide-locked early prepore intermedilysin-CD59 | | Descriptor: | CD59 glycoprotein, Thiol-activated cytolysin | | Authors: | Shah, N.R, Bubeck, D. | | Deposit date: | 2020-06-13 | | Release date: | 2020-11-18 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.6 Å) | | Cite: | Structural basis for tuning activity and membrane specificity of bacterial cytolysins.
Nat Commun, 11, 2020
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6I1I
 | | Crystal structure of TP domain from Escherichia coli penicillin-binding protein 3 in complex with penicillin | | Descriptor: | Peptidoglycan D,D-transpeptidase FtsI,Peptidoglycan D,D-transpeptidase FtsI, Piperacillin (Open Form) | | Authors: | Bellini, D, Koekemoer, L, Newman, H, Dowson, C.G. | | Deposit date: | 2018-10-28 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Novel and Improved Crystal Structures of H. influenzae, E. coli and P. aeruginosa Penicillin-Binding Protein 3 (PBP3) and N. gonorrhoeae PBP2: Toward a Better Understanding of beta-Lactam Target-Mediated Resistance.
J.Mol.Biol., 431, 2019
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6ZFO
 | | Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | | Authors: | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-06-17 | | Release date: | 2020-07-08 | | Last modified: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient.
Nat.Struct.Mol.Biol., 27, 2020
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1LF5
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6ZKM
 | | Complex I inhibited by rotenone, open2 | | Descriptor: | (2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | | Authors: | Kampjut, D, Sazanov, L.A. | | Deposit date: | 2020-06-30 | | Release date: | 2020-10-07 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | The coupling mechanism of mammalian respiratory complex I.
Science, 370, 2020
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6Z3K
 | | Structure of protective antibody 38-1-10A Fab | | Descriptor: | 1,2-ETHANEDIOL, Heavy chain, Light Chain | | Authors: | Zhou, D, Fry, E.E, Ren, J, Stuart, D.I. | | Deposit date: | 2020-05-20 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural and functional analysis of protective antibodies targeting the threefold plateau of enterovirus 71.
Nat Commun, 11, 2020
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6I45
 | | Crystal structure of I13V/I62V/V77I South African HIV-1 subtype C protease containing a D25A mutation | | Descriptor: | DI(HYDROXYETHYL)ETHER, Protease, SODIUM ION | | Authors: | Sherry, D, Pandian, R, Achilonu, I.A, Dirr, H.W, Sayed, Y. | | Deposit date: | 2018-11-09 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Non-active site mutations in the HIV protease: Diminished drug binding affinity is achieved through modulating the hydrophobic sliding mechanism.
Int.J.Biol.Macromol., 217, 2022
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6I8I
 | | Dye type peroxidase Aa from Streptomyces lividans: 98.4 kGy structure | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | | Deposit date: | 2018-11-20 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
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