8BE8
| Crystal structure of SOS1-HRas-peptidomimetic4 | Descriptor: | FORMIC ACID, GTPase HRas, SOS1-HRas-peptidomimetic4, ... | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | Deposit date: | 2022-10-21 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Nanobody Loop Mimetics Enhance Son of Sevenless 1-Catalyzed Nucleotide Exchange on RAS. Angew.Chem.Int.Ed.Engl., 62, 2023
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6MFD
| GphF GNAT-like decarboxylase in complex with isobutyryl-CoA | Descriptor: | ACETATE ION, GLYCEROL, GphF, ... | Authors: | Skiba, M.A, Tran, C.L, Smith, J.L. | Deposit date: | 2018-09-10 | Release date: | 2019-09-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis. Structure, 28, 2020
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4YQ8
| Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-[(1R,3S)-3-hydroxycyclopentyl]-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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4YQI
| Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | (4-amino-1,2,5-oxadiazol-3-yl)[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Madauss, K.P, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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4YIP
| X-ray structure of the iron/manganese cambialistic superoxide dismutase from Streptococcus mutans | Descriptor: | FE (III) ION, Superoxide dismutase [Mn/Fe] | Authors: | Russo Krauss, I, Merlino, A, Pica, A, Sica, F. | Deposit date: | 2015-03-02 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Fine tuning of metal-specific activity in the Mn-like group of cambialistic superoxide dismutases Rsc Adv, 5, 2015
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7KIA
| Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 19 | Descriptor: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one, CITRATE ANION, Fibroblast growth factor receptor 2, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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4TRJ
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (INHA) complexed with N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide, refined with new ligand restraints | Descriptor: | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | He, X, Alian, A, Stroud, R.M, Ortiz de Montellano, P.R. | Deposit date: | 2014-06-17 | Release date: | 2014-08-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Pyrrolidine carboxamides as a novel class of inhibitors of enoyl acyl carrier protein reductase from Mycobacterium tuberculosis J. Med. Chem., 2006
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4YQS
| Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | (5-amino-1H-1,2,4-triazol-1-yl)(4-methoxyphenyl)methanone, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To Be Published
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7PVL
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5D7D
| Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, CHLORIDE ION, ... | Authors: | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | Deposit date: | 2015-08-13 | Release date: | 2015-11-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Indazole Derivatives as a Novel Class of Bacterial Gyrase B Inhibitors. Acs Med.Chem.Lett., 6, 2015
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7KIE
| Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with covalent compound 3 | Descriptor: | CITRATE ANION, Fibroblast growth factor receptor 2, GLYCEROL, ... | Authors: | Ke, J, Wibowo, A.S, Carter, J.J, Larsen, N.A. | Deposit date: | 2020-10-23 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Discovery of Aminopyrazole Derivatives as Potent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR2 and 3. Acs Med.Chem.Lett., 12, 2021
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4YK4
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6FKI
| Chloroplast F1Fo conformation 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Hahn, A, Vonck, J, Mills, D.J, Meier, T, Kuehlbrandt, W. | Deposit date: | 2018-01-24 | Release date: | 2018-05-23 | Last modified: | 2019-10-23 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure, mechanism, and regulation of the chloroplast ATP synthase. Science, 360, 2018
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6MAR
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4YLM
| Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway | Descriptor: | GLYCEROL, Pyoverdine biosynthesis protein PvcB | Authors: | Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A. | Deposit date: | 2015-03-05 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products. Biochemistry, 54, 2015
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8UA2
| Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (proteolyzed fragment) | Descriptor: | IODIDE ION, RL2 | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | Deposit date: | 2023-09-20 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold. Proteins, 92, 2024
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6AZA
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4B3M
| Crystal structure of the 30S ribosome in complex with compound 1 | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | Authors: | Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C. | Deposit date: | 2012-07-25 | Release date: | 2013-08-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | 4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics Nat.Commun., 5, 2014
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8UA5
| Crystal Structure of infected cell protein 0 (ICP0) from herpes simplex virus 1 (A636-Q776) | Descriptor: | CHLORIDE ION, GLYCEROL, IODIDE ION, ... | Authors: | Lovell, S, Kashipathy, M, Battaile, K.P, Cooper, A, Davido, D. | Deposit date: | 2023-09-20 | Release date: | 2024-02-28 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | HSV-1 ICP0 dimer domain adopts a novel beta-barrel fold. Proteins, 92, 2024
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5FN1
| Electron cryo-microscopy of filamentous flexible virus PepMV (Pepino Mosaic Virus) | Descriptor: | 5'-R(*UP*UP*UP*UP*UP)-3', COAT PROTEIN | Authors: | Agirrezabala, X, Mendez-Lopez, E, Lasso, G, Sanchez-Pina, M.A, Aranda, M.A, Valle, M. | Deposit date: | 2015-11-10 | Release date: | 2015-12-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The near-atomic cryoEM structure of a flexible filamentous plant virus shows homology of its coat protein with nucleoproteins of animal viruses. Elife, 4, 2015
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7TR2
| Apo CaKip3[2-436]-L2-mutant(HsKHC) in complex with a microtubule | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein,Kinesin-1 heavy chain, ... | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | Deposit date: | 2022-01-27 | Release date: | 2022-07-13 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape. Nat Commun, 13, 2022
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5UR5
| PYR1 bound to the rationally designed agonist 4m | Descriptor: | Abscisic acid receptor PYR1, GLYCEROL, N-(4-cyano-3-ethyl-5-methylphenyl)-1-(4-methylphenyl)methanesulfonamide, ... | Authors: | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | Deposit date: | 2017-02-09 | Release date: | 2017-11-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | A Rationally Designed Agonist Defines Subfamily IIIA Abscisic Acid Receptors As Critical Targets for Manipulating Transpiration. ACS Chem. Biol., 12, 2017
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4RLK
| Crystal structure of Z. mays CK2alpha in complex with the ATP-competitive inhibitor 4-[(E)-(fluoren-9-ylidenehydrazinylidene)-methyl] benzoate | Descriptor: | 4-[(E)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Guerra, B, Rasmussen, T.D.L, Schnitzler, A, Jensen, H.H, Boldyreff, B.S, Miyata, Y, Marcussen, N, Niefind, K, Issinger, O.G. | Deposit date: | 2014-10-17 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Protein kinase CK2 inhibition is associated with the destabilization of HIF-1 alpha in human cancer cells. Cancer Lett, 356, 2015
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4YUA
| Glycogen phosphorylase in complex with ellagic acid | Descriptor: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Kantsadi, L.A, Stravodimos, A.G, Chatzileontiadou, S.M.D, Leonidas, D.D. | Deposit date: | 2015-03-18 | Release date: | 2015-05-13 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Natural flavonoids as antidiabetic agents. The binding of gallic and ellagic acids to glycogen phosphorylase b. Febs Lett., 589, 2015
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5FN7
| Crystal structure of human CD45 extracellular region, domains d1-d2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-10 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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