5VVB
 
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(2-(((2-Aminoquinolin-7-yl)methyl)amino)ethyl)-2-methylbenzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | 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 (2.15 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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5EZ8
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7QQ7
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6HIU
 | | Cytochrome P460 from Methylococcus capsulatus (Bath) | | Descriptor: | Cytochrome P460, GLYCEROL, HEME C, ... | | Authors: | Adams, H, Chicano, T.M, Hough, M.A. | | Deposit date: | 2018-08-31 | | Release date: | 2019-03-20 | | Last modified: | 2019-05-01 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | One fold, two functions: cytochrome P460 and cytochromec'-beta from the methanotrophMethylococcus capsulatus(Bath).
Chem Sci, 10, 2019
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5ETE
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6ZAZ
 | | Fructo-oligosaccharide transporter BT 1762-63 | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | van den Berg, B. | | Deposit date: | 2020-06-06 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Insights into SusCD-mediated glycan import by a prominent gut symbiont.
Nat Commun, 12, 2021
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6QON
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 17 (2H-1,3-Benzoxazine-2,4(3H)-dione) | | Descriptor: | 1,3-benzoxazine-2,4-dione, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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6HFK
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7LO0
 | | Structure of human ASF1a in complex with a TLK2 peptide | | Descriptor: | Histone chaperone ASF1A, Serine/threonine-protein kinase tousled-like 2 | | Authors: | Simon, B, Calderwood, D, Turk, B.E, Boggon, T.J. | | Deposit date: | 2021-02-08 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | Tousled-like kinase 2 targets ASF1 histone chaperones through client mimicry.
Nat Commun, 13, 2022
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7QW5
 | | Adenine-specific DNA methyltransferase M.BseCI complexed with AdoHcy and cognate unmethylated DNA duplex | | Descriptor: | Modification methylase BseCI, S-ADENOSYL-L-HOMOCYSTEINE, Unmethylated DNA duplex | | 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: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of M.BseCI DNA methyltransferase from Geobacillus stearothermophilus.
To Be Published
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6QOV
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 25 (6-Phenyl-3-pyridinyl)methylamine) | | Descriptor: | (6-phenylpyridin-3-yl)methanamine, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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7QQI
 | | Sucrose phosphorylase from Faecalibaculum rodentium | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aamy domain-containing protein | | Authors: | Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H. | | Deposit date: | 2022-01-08 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Sucrose phosphorylase from Faecalibaculum rodentium
To Be Published
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7LI0
 | | Crystal structure of apo Moraxella catarrhalis ferric binding protein A in an open conformation | | Descriptor: | CARBONATE ION, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Chan, C, Ng, D, Fraser, M.E, Schryvers, A.B. | | Deposit date: | 2021-01-26 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and functional insights into iron acquisition from lactoferrin and transferrin in Gram-negative bacterial pathogens.
Biometals, 2022
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5ETF
 | | Structure of dead kinase MAPK14 with bound the KIM domain of MKK6 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, Mitogen-activated protein kinase 14 | | Authors: | Pellegrini, E, Palencia, A, Braun, L, Kapp, U, Bougdour, A, Belrhali, H, Bowler, M.W, Hakimi, M. | | Deposit date: | 2015-11-17 | | Release date: | 2016-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis for the Subversion of MAP Kinase Signaling by an Intrinsically Disordered Parasite Secreted Agonist.
Structure, 25, 2017
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8S8C
 | | Structure of Kras in complex with inhibitor MK-1084 | | Descriptor: | (5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Day, P.J, Cleasby, A. | | Deposit date: | 2024-03-06 | | Release date: | 2024-07-10 | | Last modified: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of MK-1084: An Orally Bioavailable and Low-Dose KRAS G12C Inhibitor.
J.Med.Chem., 67, 2024
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6QP3
 | | Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168) | | Descriptor: | ACETATE ION, Cystathionine beta-lyase PatB, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Herman, R, Rudden, M, Wilkinson, A.J, Hanai, S, Thomas, G.H. | | Deposit date: | 2019-02-13 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular basis of thioalcohol production in human body odour.
Sci Rep, 10, 2020
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6GCI
 | | Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier | | Descriptor: | Bongkrekic acid, CARDIOLIPIN, HEXAETHYLENE GLYCOL, ... | | Authors: | Ruprecht, J.J, King, M.S, Pardon, E, Aleksandrova, A.A, Zogg, T, Crichton, P.G, Steyaert, J, Kunji, E.R.S. | | Deposit date: | 2018-04-17 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The Molecular Mechanism of Transport by the Mitochondrial ADP/ATP Carrier.
Cell, 176, 2019
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7QPR
 | | Structure of full length SpoT | | Descriptor: | ACT domain protein, CHLORIDE ION, CITRATE ANION, ... | | Authors: | Garcia-Pino, A, Tamman, H. | | Deposit date: | 2022-01-05 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.513 Å) | | Cite: | Structure of full length SpoT
To Be Published
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5W58
 | | Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor) | | Descriptor: | (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J. | | Deposit date: | 2017-06-14 | | Release date: | 2018-01-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.267 Å) | | Cite: | Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
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7LQA
 | | X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 (merged) | | 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 (1.02 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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8AQQ
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5EZV
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6QPD
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5VWI
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5ETC
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