7MMC
| Crystal structure of HCV NS3/4A D168A protease in complex with NR01-115 | Descriptor: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate, 1,2-ETHANEDIOL, NS3 protease, ... | Authors: | Zephyr, J, Schiffer, C.A. | Deposit date: | 2021-04-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Deciphering the Molecular Mechanism of HCV Protease Inhibitor Fluorination as a General Approach to Avoid Drug Resistance. J.Mol.Biol., 434, 2022
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7MN7
| PTP1B F225Y in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MN9
| PTP1B 1-284 F225Y-R199N | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNA
| PTP1B 1-284 F225Y-R199N in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNC
| PTP1B L204A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MND
| PTP1B L204A in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNF
| PTP1B P206G in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNE
| PTP1B P206G mutation, open state | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7N12
| Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | Authors: | Kalthoff, E, Schmeing, M. | Deposit date: | 2021-05-26 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline. Plos Pathog., 17, 2021
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7N11
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7M75
| Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Sci Rep, 11, 2021
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7M78
| Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Sci Rep, 11, 2021
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7M76
| Room Temperature XFEL Crystallography reveals asymmetry in the vicinity of the two phylloquinones in Photosystem I | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | Authors: | Keable, S.M, Simon, P.S, Kolsch, A, Kern, J, Yachandra, V.K, Zouni, A, Yano, J. | Deposit date: | 2021-03-26 | Release date: | 2021-11-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Room temperature XFEL crystallography reveals asymmetry in the vicinity of the two phylloquinones in photosystem I. Sci Rep, 11, 2021
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7MGT
| Ftp from Treponema pallidum bound to an ADP-like inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-chloroadenosine 5'-(trihydrogen diphosphate), FAD:protein FMN transferase, ... | Authors: | Brautigam, C.A, Deka, R, Norgard, M.V. | Deposit date: | 2021-04-13 | Release date: | 2021-12-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Inhibition of bacterial FMN transferase: A potential avenue for countering antimicrobial resistance. Protein Sci., 31, 2022
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8BF8
| ISDra2 TnpB in complex with reRNA | Descriptor: | Deinococcus radiodurans R1 chromosome 1, RNA-guided DNA endonuclease TnpB | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Siksnys, V, Montoya, G, Druteika, G, Silanskas, A, Venclovas, C, Karvelis, T, Kazlauskas, D. | Deposit date: | 2022-10-24 | Release date: | 2023-04-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family. Nature, 616, 2023
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1BM0
| CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN | Descriptor: | SERUM ALBUMIN | Authors: | Sugio, S, Kashima, A, Mochizuki, S, Noda, M, Kobayashi, K. | Deposit date: | 1998-07-28 | Release date: | 1999-07-28 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human serum albumin at 2.5 A resolution. Protein Eng., 12, 1999
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8BR0
| ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin (residue Q3455 to L3863) in complex with 3'deoxyCTP and two manganese cations bound to Latrunculin-B-ADP-Mn-actin | Descriptor: | 3'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Texeira-Nuns, M, Retailleau, P, Renault, L. | Deposit date: | 2022-11-22 | Release date: | 2023-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.218 Å) | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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9FMD
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7N3K
| Oridonin-bound SARS-CoV-2 Nsp9 | Descriptor: | (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one, Non-structural protein 9, SULFATE ION | Authors: | Littler, D.R, Gully, B.S, Rossjohn, J. | Deposit date: | 2021-06-01 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A natural product compound inhibits coronaviral replication in vitro by binding to the conserved Nsp9 SARS-CoV-2 protein. J.Biol.Chem., 297, 2021
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8UUA
| Cryo-EM structure of the Listeria innocua 50S ribosomal subunit in complex with HflXr (structure III) | Descriptor: | 23S Ribosomal RNA, 5S Ribosomal RNA, GTPase HflX, ... | Authors: | Seely, S.M, Basu, R.S, Gagnon, M.G. | Deposit date: | 2023-10-31 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Mechanistic insights into the alternative ribosome recycling by HflXr. Nucleic Acids Res., 52, 2024
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8UU5
| Cryo-EM structure of the Listeria innocua 70S ribosome (head-swiveled) in complex with pe/E-tRNA (structure I-B) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ... | Authors: | Seely, S.M, Basu, R.S, Gagnon, M.G. | Deposit date: | 2023-10-31 | Release date: | 2024-02-28 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanistic insights into the alternative ribosome recycling by HflXr. Nucleic Acids Res., 52, 2024
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8UU6
| Cryo-EM structure of the ratcheted Listeria innocua 70S ribosome in complex with p/E-tRNA (structure II-A) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ... | Authors: | Seely, S.M, Basu, R.S, Gagnon, M.G. | Deposit date: | 2023-10-31 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Mechanistic insights into the alternative ribosome recycling by HflXr. Nucleic Acids Res., 52, 2024
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8UU9
| Cryo-EM structure of the ratcheted Listeria innocua 70S ribosome (head-swiveled) in complex with HflXr and pe/E-tRNA (structure II-D) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ... | Authors: | Seely, S.M, Basu, R.S, Gagnon, M.G. | Deposit date: | 2023-10-31 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanistic insights into the alternative ribosome recycling by HflXr. Nucleic Acids Res., 52, 2024
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8UU8
| Cryo-EM structure of the Listeria innocua 70S ribosome (head-swiveled) in complex with HflXr and pe/E-tRNA (structure II-C) | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 5S Ribosomal RNA, ... | Authors: | Seely, S.M, Basu, R.S, Gagnon, M.G. | Deposit date: | 2023-10-31 | Release date: | 2024-02-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Mechanistic insights into the alternative ribosome recycling by HflXr. Nucleic Acids Res., 52, 2024
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2ASI
| ASPARTIC PROTEINASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARTIC PROTEINASE, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Yang, J, Jia, Z, Vandonselaar, M, Kepliakov, P.S.A, Quail, J.W. | Deposit date: | 1995-12-09 | Release date: | 1996-08-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of the aspartic proteinase from Rhizomucor miehei at 2.15 A resolution. J.Mol.Biol., 268, 1997
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