8B53
 
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6QVZ
 | | The Transcriptional Regulator PrfA-L140H mutant from Listeria Monocytogenes | | Descriptor: | ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION | | Authors: | Hall, M, Grundstrom, C, Hansen, S, Brannstrom, K, Johansson, J, Sauer-Eriksson, A.E. | | Deposit date: | 2019-03-05 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | A Novel Growth-Based Selection Strategy Identifies New Constitutively Active Variants of the Major Virulence Regulator PrfA in Listeria monocytogenes.
J.Bacteriol., 202, 2020
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5L2T
 | | The X-ray co-crystal structure of human CDK6 and Ribociclib. | | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | Authors: | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | Deposit date: | 2016-08-02 | | Release date: | 2016-08-24 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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6WC8
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7M9W
 | | HIV-1 Protease (I84V) in Complex with NR02-73 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | HIV-1 Protease (I84V) in Complex with NR02-73
To Be Published
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7M9S
 | | HIV-1 Protease WT (NL4-3) in Complex with NR01-141 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | HIV-1 Protease WT (NL4-3) in Complex with NR01-141
To Be Published
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6QRB
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | | Descriptor: | 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-19 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Development of Inhibitors against Mycobacterium abscessus tRNA (m 1 G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
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7M9X
 | | HIV-1 Protease (I84V) in Complex with NR02-79 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-08-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.831 Å) | | Cite: | HIV-1 Protease (I84V) in Complex with NR02-79
To Be Published
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6TZO
 | | Crystal Structure of Fungal RNA Kinase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, tRNA ligase | | Authors: | Shuman, S, Goldgur, Y, Banerjee, A. | | Deposit date: | 2019-08-12 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Atomic structures of the RNA end-healing 5'-OH kinase and 2',3'-cyclic phosphodiesterase domains of fungal tRNA ligase: conformational switches in the kinase upon binding of the GTP phosphate donor.
Nucleic Acids Res., 47, 2019
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6EGW
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp017 and RKp117 | | Descriptor: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid, alpha-D-ribofuranose, cAMP-dependent protein kinase catalytic subunit alpha, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-09-12 | | Release date: | 2018-10-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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7R4X
 | | Cryo-EM reconstruction of the human 40S ribosomal subunit - Full map | | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | | Authors: | Pellegrino, S, Dent, K.C, Spikes, T, Warren, A.J. | | Deposit date: | 2022-02-09 | | Release date: | 2023-02-22 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.15 Å) | | Cite: | Cryo-EM reconstruction of the human 40S ribosomal subunit at 2.15 angstrom resolution.
Nucleic Acids Res., 51, 2023
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7R2M
 | | SYNJ2BP complex with a synthetic Vangl2 peptide (9mer). | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Carrasco, K, Cousido Siah, A, Gogl, G, Betzi, S, McEwen, A, Kostmann, C, Trave, G. | | Deposit date: | 2022-02-04 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | SYNJ2BP PDZ domain in complex with a synthetic Vangl2 peptide.
To Be Published
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6WFV
 | | The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, MANGANESE (II) ION, ... | | Authors: | Guo, H.-F, Tsai, C.-L, Miller, M.D, Phillips Jr, G.N, Tainer, J.A, Kurie, J.M. | | Deposit date: | 2020-04-04 | | Release date: | 2021-04-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The crystal structure of a collagen galactosylhydroxylysyl glucosyltransferase from human
To Be Published
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6QXT
 | | Cas1-Cas2-Csn2-DNA dimer complex from the Type II-A CRISPR-Cas system | | Descriptor: | CALCIUM ION, CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, ... | | Authors: | Wilkinson, M, Drabavicius, G, Silanskas, A, Gasiunas, G, Siksnys, V, Wigley, D.B. | | Deposit date: | 2019-03-08 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8.9 Å) | | Cite: | Structure of the DNA-Bound Spacer Capture Complex of a Type II CRISPR-Cas System.
Mol.Cell, 75, 2019
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8GUV
 | | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7) | | Descriptor: | CALCIUM ION, PA-I galactophilic lectin, Tolcapone | | Authors: | Kuhaudomlarp, S, Siebs, E, Varrot, A, Imberty, A, Titz, A. | | Deposit date: | 2022-09-13 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | LecA from Pseudomonas aeruginosa in complex with tolcapone (CAS: 134308-13-7)
To Be Published
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6QU6
 | | Adenovirus Serotype 26 (Ad26) in complex with sialic acid, pH4.0 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Fiber, ... | | Authors: | Baker, A.T, Mundy, R.M, Parker, A.L, Rizkallah, P.J. | | Deposit date: | 2019-02-26 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
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5I6L
 | | Crystal Structure of Copper Nitrite Reductase at 100K after 2.76 MGy | | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | | Authors: | Horrell, S, Hough, M.A, Strange, R.W. | | Deposit date: | 2016-02-16 | | Release date: | 2016-07-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal.
Iucrj, 3, 2016
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5I6K
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7RAT
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8SLB
 | | X-ray structure of CorA N-terminal domain in complex with conformation-specific synthetic antibody C12 | | Descriptor: | CHLORIDE ION, Cobalt/magnesium transport protein CorA, sAB C12 Heavy Chain, ... | | Authors: | Dominik, P.K, Erramilli, S.K, Reddy, B.G, Kossiakoff, A.A. | | Deposit date: | 2023-04-21 | | Release date: | 2023-06-07 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Conformation-specific Synthetic Antibodies Discriminate Multiple Functional States of the Ion Channel CorA.
J.Mol.Biol., 435, 2023
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5L16
 | | Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major | | Descriptor: | Putative selenophosphate synthetase, SULFATE ION | | Authors: | Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H. | | Deposit date: | 2016-07-28 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.882 Å) | | Cite: | Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
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7P0J
 | | Crystal structure of S.pombe Mdb1 BRCT domains | | Descriptor: | CITRIC ACID, DNA damage response protein Mdb1, MAGNESIUM ION, ... | | Authors: | Day, M, Oliver, A.W, Pearl, L.H. | | Deposit date: | 2021-06-29 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Phosphorylation-dependent assembly of DNA damage response systems and the central roles of TOPBP1.
DNA Repair (Amst), 108, 2021
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8GBQ
 | | Structure of RNF125 in complex with UbcH5b | | Descriptor: | E3 ubiquitin-protein ligase RNF125, GLYCEROL, Ubiquitin-conjugating enzyme E2 D2, ... | | Authors: | Middleton, A.J, Day, C.L, Fokkens, T.J. | | Deposit date: | 2023-02-27 | | Release date: | 2023-07-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Zinc finger 1 of the RING E3 ligase, RNF125, interacts with the E2 to enhance ubiquitylation.
Structure, 31, 2023
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7MXO
 | | CryoEM structure of human NKCC1 | | Descriptor: | CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 2 | | Authors: | Moseng, M.A. | | Deposit date: | 2021-05-19 | | Release date: | 2022-09-28 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022
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6U5F
 | | CryoEM Structure of Pyocin R2 - precontracted - collar | | Descriptor: | Collar PA0615, Sheath PA0622, Tube PA0623 | | Authors: | Ge, P, Avaylon, J, Scholl, D, Shneider, M.M, Browning, C, Buth, S.A, Plattner, M, Ding, K, Leiman, P.G, Miller, J.F, Zhou, Z.H. | | Deposit date: | 2019-08-27 | | Release date: | 2020-04-15 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Action of a minimal contractile bactericidal nanomachine.
Nature, 580, 2020
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