7N5K
 
 | | PCNA from Thermococcus gammatolerans: crystal II, collection 1, 1.98 A, 3.84 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
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6MAJ
 | | HBO1 is required for the maintenance of leukaemia stem cells | | Descriptor: | 4-fluoro-N'-[(3-hydroxyphenyl)sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide, BRD1 protein, GLYCEROL, ... | | Authors: | Ren, B, Peat, T.S, Monahan, B, Dawson, M, Street, I. | | Deposit date: | 2018-08-27 | | Release date: | 2019-12-25 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.139 Å) | | Cite: | HBO1 is required for the maintenance of leukaemia stem cells.
Nature, 577, 2020
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7N5M
 | | PCNA from Thermococcus gammatolerans: crystal III, collection 1, 2.00 A, 1.91 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
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8OS3
 | | Crystal structure of the titin domain Fn3-11 | | Descriptor: | Titin | | Authors: | Nikoopour, R, Rees, M, Gautel, M. | | Deposit date: | 2023-04-17 | | Release date: | 2023-08-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
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5VTE
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7N5J
 | | PCNA from Thermococcus gammatolerans: crystal I, collection 5, 2.82 A, 89.1 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
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8OT5
 | | Crystal structure of the titin domain Fn3-85 | | Descriptor: | CHLORIDE ION, SODIUM ION, Titin | | Authors: | Nikoopour, R, Rees, M, Gautel, M. | | Deposit date: | 2023-04-20 | | Release date: | 2023-08-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structure determination and analysis of titin A-band fibronectin type III domains provides insights for disease-linked variants and protein oligomerisation.
J.Struct.Biol., 215, 2023
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5ENE
 | | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-09 | | Release date: | 2016-04-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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6MAV
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7N5I
 | | PCNA from Thermococcus gammatolerans: crystal I, collection 1, 1.95 A, 5.22 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
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8OIY
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6MB5
 | | AAC-IIIb binary with NEOMYCIN | | Descriptor: | Aac(3)-IIIb protein, NEOMYCIN | | Authors: | Cuneo, M.J, Kumar, P. | | Deposit date: | 2018-08-29 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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7N5L
 | | PCNA from Thermococcus gammatolerans: crystal II, collection 20, 3.07 A, 77.0 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
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5L8Y
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 | | Descriptor: | 2-[(4-{5-[(4aR,8aS)-3-cycloheptyl-4-oxo-3,4,4a,5,8,8a-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl)formamido]-N-(2-hydroxyethyl)acetamide, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Anthonyrajah, E.S, Brown, D.G. | | Deposit date: | 2016-06-08 | | Release date: | 2018-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity.
J. Med. Chem., 61, 2018
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5L97
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7N5N
 | | PCNA from Thermococcus gammatolerans: crystal III, collection 15, 2.20 A, 28.7 MGy | | Descriptor: | DNA polymerase sliding clamp, GLYCEROL, SULFATE ION | | Authors: | Marin-Tovar, Y, Rudino-Pinera, E. | | Deposit date: | 2021-06-05 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PCNA from Thermococcus gammatolerans: A protein involved in chromosomal DNA metabolism intrinsically resistant at high levels of ionizing radiation.
Proteins, 90, 2022
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6MB7
 | | Binary (paromomycin) structure of AAC-IIIb | | Descriptor: | Aac(3)-IIIb protein, PAROMOMYCIN | | Authors: | Cuneo, M.J, Kumar, P. | | Deposit date: | 2018-08-29 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
J. Med. Chem., 61, 2018
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5VU6
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7N29
 | | Structure of NAD kinase | | Descriptor: | NAD kinase 2, mitochondrial, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Du, J, Estrella, M.A, Jeffrey, P.D, Korennykh, A.V. | | Deposit date: | 2021-05-28 | | Release date: | 2022-05-04 | | Last modified: | 2022-06-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human NADK2 reveals atypical assembly and regulation of NAD kinases from animal mitochondria.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8C8F
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7PFM
 | | A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | | Descriptor: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
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7PEP
 | | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ... | | Authors: | Zhou, Q, He, Y, Jin, Y. | | Deposit date: | 2021-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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5LAF
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5VUU
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 4-(2-(((2-Amino-4-methylquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | Descriptor: | 4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2017-05-19 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors.
J. Med. Chem., 60, 2017
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7MX0
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558 | | Descriptor: | 2-(2,6-difluorophenyl)-5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-05-17 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988558
To Be Published
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