4RA5
 
 | | Human Protein Kinase C THETA IN COMPLEX WITH LIGAND COMPOUND 11a (6-[(1,3-Dimethyl-azetidin-3-yl)-methyl-amino]-4(R)-methyl-7-phenyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | Descriptor: | (1R)-9-[(1,3-dimethylazetidin-3-yl)(methyl)amino]-1-methyl-8-phenyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, 1,2-ETHANEDIOL, HUMAN PROTEIN KINASE C THETA, ... | | Authors: | Argiriadi, M.A, George, D.M. | | Deposit date: | 2014-09-09 | | Release date: | 2014-10-08 | | Last modified: | 2015-02-04 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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8TRY
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20348 | | Descriptor: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-10 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TQG
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20419 | | Descriptor: | N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-07 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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8TR4
 | | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20404 | | Descriptor: | 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide, Polyketide synthase Pks13, SULFATE ION | | Authors: | Krieger, I.V, Sacchettini, J.C. | | Deposit date: | 2023-08-09 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
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6LRQ
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6IVE
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6LP0
 | | crystal structure of alpha-momorcharin in complex with AMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, Ribosome-inactivating protein momordin I | | Authors: | Fan, X, Jin, T. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.519 Å) | | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
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6LOR
 | | crystal structure of alpha-momorcharin in complex with ADP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Ribosome-inactivating protein momordin I | | Authors: | Fan, X, Jin, T. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
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6LOW
 | | crystal structure of alpha-momorcharin in complex with GMP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I | | Authors: | Fan, X, Jin, T. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
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7MJ5
 | | complex of human thrombin with XC-43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Putative secreted salivary protein, SODIUM ION, ... | | Authors: | Lu, S, Tirloni, L, Andersen, J.F. | | Deposit date: | 2021-04-19 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Identification of a substrate-like cleavage-resistant thrombin inhibitor from the saliva of the flea Xenopsylla cheopis.
J.Biol.Chem., 297, 2021
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6LNY
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6LOV
 | | crystal structure of alpha-momorcharin in complex with xanthosine | | Descriptor: | 2,3-dihydroxanthosine, Ribosome-inactivating protein momordin I | | Authors: | Fan, X, Jin, T. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
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6LOQ
 | | crystal structure of alpha-momorcharin in complex with cAMP | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Ribosome-inactivating protein momordin I | | Authors: | Fan, X, Jin, T. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.331 Å) | | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
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6LOY
 | | crystal structure of alpha-momorcharin in complex with dAMP | | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Ribosome-inactivating protein momordin I | | Authors: | Fan, X, Jin, T. | | Deposit date: | 2020-01-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Atomic-resolution structures of type I ribosome inactivating protein alpha-momorcharin with different substrate analogs.
Int.J.Biol.Macromol., 164, 2020
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7LUC
 | | Cryo-EM structure of RSV preF bound by Fabs 32.4K and 01.4B | | Descriptor: | 01.4B Fab Heavy chain, 01.4B Fab Light chain, 32.4K Fab Heavy chain, ... | | Authors: | Wrapp, D, McLellan, J.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-04-21 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Vaccination with prefusion-stabilized respiratory syncytial virus fusion protein induces genetically and antigenically diverse antibody responses.
Immunity, 54, 2021
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7LHZ
 | | K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | | Descriptor: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | | Authors: | Noeske, J, Shu, W, Bellamacina, C. | | Deposit date: | 2021-01-26 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria.
J.Med.Chem., 64, 2021
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4R3R
 | | Crystal structures of EGFR in complex with Mig6 | | Descriptor: | Epidermal growth factor receptor, peptide from ERBB receptor feedback inhibitor 1' | | Authors: | Park, E, Kim, N, Yi, Z, Cho, A, Kim, K, Ficarro, S.B, Park, A, Park, W.Y, Murray, B, Meyerson, M, Beroukim, R, Marto, J.A, Cho, J, Eck, M.J. | | Deposit date: | 2014-08-17 | | Release date: | 2015-08-12 | | Last modified: | 2015-09-16 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
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4R5S
 | | Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3 | | Descriptor: | Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide | | Authors: | Zhu, S.J, Yun, C.H. | | Deposit date: | 2014-08-22 | | Release date: | 2014-11-12 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (3.001 Å) | | Cite: | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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8QRH
 | | Inactivated tick-borne encephalitis virus (TBEV) vaccine strain Sofjin-Chumakov | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Genome polyprotein, Small envelope protein M | | Authors: | Moiseenko, A.V, Zhang, Y, Vorovitch, M, Ivanova, A, Liu, Z, Osolodkin, D.I, Egorov, A, Ishmukhametov, A, Sokolova, O.S. | | Deposit date: | 2023-10-07 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The structure of inactivated mature tick-borne encephalitis virus at 3.0 angstrom resolution.
Emerg Microbes Infect, 13, 2024
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8JRE
 | | Cryo-EM structure of a designed AAV8-based vector | | Descriptor: | Capsid protein | | Authors: | Ke, X, Luo, S, Zheng, Q, Jiang, H, Liu, F, Sun, X. | | Deposit date: | 2023-06-16 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.08 Å) | | Cite: | An adeno-associated virus variant enabling efficient ocular-directed gene delivery across species.
Nat Commun, 15, 2024
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7D0S
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7D0P
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7D0Q
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7D0O
 | | Crystal structure of human HBO1-BRPF2 in apo form | | Descriptor: | 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ... | | Authors: | Li, W, Ding, J. | | Deposit date: | 2020-09-11 | | Release date: | 2021-07-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
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7D0R
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