7QW6
 
 | | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate hemimethylated DNA duplex | | Descriptor: | Hemimethylated DNA duplex, Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Mitsikas, D.A, Kouyianou, K, Kotsifaki, D, Providaki, M, Bouriotis, V, Glykos, N.M, Kokkinidis, M. | | Deposit date: | 2022-01-24 | | Release date: | 2023-01-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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5F5B
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6QZD
 | | HLA-DR1 with SGP Influenza Matrix Peptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Greenshields-Watson, A, Rizkallah, P.J. | | Deposit date: | 2019-03-11 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | CD4+T Cells Recognize Conserved Influenza A Epitopes through Shared Patterns of V-Gene Usage and Complementary Biochemical Features.
Cell Rep, 32, 2020
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7LN9
 | | X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 1 | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-06 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7QSC
 | | GTPase IN COMPLEX WITH GDP.MGF3- | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ... | | Authors: | Baumann, P, Jin, Y. | | Deposit date: | 2022-01-13 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | GTPase IN COMPLEX WITH GDP.MGF3-
To Be Published
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8RTC
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6QM3
 | | Crystal structure of a calcium- and sodium-bound mouse Olfactomedin-1 disulfide-linked dimer of the Olfactomedin domain and part of coiled coil | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CACODYLATE ION, ... | | Authors: | Pronker, M.F, van den Hoek, H.G, Janssen, B.J.C. | | Deposit date: | 2019-02-01 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and structural characterisation of olfactomedin-1 variants as tools for functional studies.
BMC Mol Cell Biol, 20, 2019
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8RYR
 | | High pH (8.0) nitrite-bound MSOX movie series dataset 4 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [2.76 MGy] | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2024-02-09 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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6HN2
 | | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5 | | Descriptor: | 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ... | | Authors: | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | | Deposit date: | 2018-09-13 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
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8B0V
 | | Crystal structure of C-terminal domain of Pseudomonas aeruginosa LexA G91D mutant | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Vascon, F, De Felice, S, Chinellato, M, Maso, L, Cendron, L. | | Deposit date: | 2022-09-08 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural investigations on the SOS response in Pseudomonas aeruginosa
To Be Published
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6FUR
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7LPV
 | | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 | | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-12 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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7LPL
 | | X-ray radiation damage series on Lysozyme at 277K, multi-conformer model, dataset 3 (merged) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-12 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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8S64
 | | Low pH (5.5) as-isolated MSOX movie series dataset 10 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [5.7 MGy] | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ... | | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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7QRJ
 | | Crystal structure of Zamilon vitis protein Zav_19 | | Descriptor: | Zav_19 protein | | Authors: | Jeudy, S, Abergel, C. | | Deposit date: | 2022-01-11 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | The fibre head structure used by unrelated families of viruses is unexpectedly a major component of the Marseilleviridae and Zamilon virophages capsids
To Be Published
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6ZGX
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | Descriptor: | 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2020-06-20 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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5F5G
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6HQ3
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6D4R
 | | M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 18 (VCC399134) | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2018-04-18 | | Release date: | 2019-05-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.
Eur.J.Med.Chem., 174, 2019
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8RST
 | | Rap from bacteriophage Phi3T in presence of pheromone SRGHTS | | Descriptor: | Glycerol ethoxylate, Rap3T, SRGHTS, ... | | Authors: | Felipe-Ruiz, A, Zamora-Caballero, S, Marina, A. | | Deposit date: | 2024-01-25 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Extracellular proteolysis of tandemly duplicated pheromone propeptides affords additional complexity to bacterial quorum sensing.
Plos Biol., 22, 2024
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7QTE
 | | Crystal Structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase PlaO1 in complex with cobalt and succinate | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, COBALT (II) ION, PlaO1, ... | | Authors: | Lukat, P, Daum, M, Bechthold, A, Einsle, O. | | Deposit date: | 2022-01-14 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural investigations on the Fe(II)/alpha-ketoglutarate dependent dioxygense PlaO1 from Streptomyces sp. Tu6071
Thesis, 2011
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6QZO
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8S5X
 | | High pH (8.0) as-isolated MSOX movie series dataset 10 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [3.5 MGy] | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ... | | Authors: | Rose, S.L, Ferroni, F.M, Horrell, S, Brondino, C.D, Eady, R.R, Jaho, S, Hough, M.A, Owen, A.L, Antonyuk, S.V, Hasnain, S.S. | | Deposit date: | 2024-02-26 | | Release date: | 2024-07-24 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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7LQ9
 | | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 4 | | Descriptor: | CALCIUM ION, Proteinase K, SULFATE ION | | Authors: | Yabukarski, F, Doukov, T, Herschlag, D. | | Deposit date: | 2021-02-13 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals.
Acta Crystallogr D Struct Biol, 78, 2022
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8BPW
 | | Crystal structure of JAK2 JH1 in complex with lestaurtinib | | Descriptor: | Lestaurtinib, Tyrosine-protein kinase JAK2 | | Authors: | Miao, Y, Haikarainen, T. | | Deposit date: | 2022-11-18 | | Release date: | 2023-11-29 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Functional and Structural Characterization of Clinical-Stage Janus Kinase 2 Inhibitors Identifies Determinants for Drug Selectivity.
J.Med.Chem., 67, 2024
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