8S07
| A fragment-based inhibitor of SHP2 | Descriptor: | 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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7BTW
| The mitochondrial SAM complex from S.cere | Descriptor: | Mitochondrial outer membrane beta-barrel protein, SAM37 isoform 1, Sorting assembly machinery 35 kDa subunit | Authors: | Takeda, H, Tsutsumi, A, Nishizawa, T, Nureki, O, Kikkawa, M, Endo, T. | Deposit date: | 2020-04-03 | Release date: | 2021-01-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Mitochondrial sorting and assembly machinery operates by beta-barrel switching. Nature, 590, 2021
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5LWL
| MaeR D54A mutant response regulator bound to sulfate | Descriptor: | SULFATE ION, Transcriptional regulatory protein | Authors: | Miguel-Romero, L, Casino, P, Landete, J.M, Monedero, V, Zuniga, M, Marina, A. | Deposit date: | 2016-09-18 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The malate sensing two-component system MaeKR is a non-canonical class of sensory complex for C4-dicarboxylates. Sci Rep, 7, 2017
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6C27
| SAM-III riboswitch ON-state | Descriptor: | COBALT HEXAMMINE(III), SAM-III riboswitch | Authors: | Grigg, J.C, Price, I.R, Ke, A. | Deposit date: | 2018-01-07 | Release date: | 2019-01-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.601 Å) | Cite: | Evidence for two-tiered conformation selection in the SAM-III riboswitch To Be Published
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8S0I
| A fragment-based inhibitor of SHP2 | Descriptor: | 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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6S9E
| Tubulin-GDP.AlF complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ALUMINUM FLUORIDE, CALCIUM ION, ... | Authors: | Oliva, M.A, Estevez-Gallego, J, Diaz, J.F, Prota, A.E, Steinmetz, M.O, Balaguer, F.A, Lucena-Agell, D. | Deposit date: | 2019-07-12 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural model for differential cap maturation at growing microtubule ends. Elife, 9, 2020
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5FGN
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8CKP
| X-ray structure of the crystallization-prone form of subfamily III haloalkane dehalogenase DhmeA from Haloferax mediterranei | Descriptor: | Alpha/beta fold hydrolase, CHLORIDE ION | Authors: | Marek, M, Chmelova, K, Schenkmayerova, A, Croll, T, Read, R.J, Diederichs, K. | Deposit date: | 2023-02-16 | Release date: | 2023-08-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | Multimeric structure of a subfamily III haloalkane dehalogenase-like enzyme solved by combination of cryo-EM and x-ray crystallography. Protein Sci., 32, 2023
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7ZQ8
| VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=4 VLP) | Descriptor: | VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR | Authors: | Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J. | Deposit date: | 2022-04-29 | Release date: | 2023-01-18 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display. Msphere, 8, 2023
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8G9K
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3MYG
| Aurora A Kinase complexed with SCH 1473759 | Descriptor: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | Authors: | Hruza, A, Prosis, W, Ramanathan, L. | Deposit date: | 2010-05-10 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core. ACS Med Chem Lett, 1, 2010
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6FW3
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-007 | Descriptor: | 1,2-ETHANEDIOL, 1-(2-{4-[(4aS,8aR)-4-(3,4-dimethoxyphenyl)-1-oxo-1,2,4a,5,8,8a-hexahydrophthalazin-2-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidine-2,5-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2018-03-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | hPDE4D2 structure with inhibitor NPD-007 To be published
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6X2N
| Mfd-bound E.coli RNA polymerase elongation complex - I state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (64-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Llewellyn, E, Chen, J, Kang, J.Y, Darst, S.A. | Deposit date: | 2020-05-20 | Release date: | 2021-02-03 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for transcription complex disruption by the Mfd translocase. Elife, 10, 2021
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7ZQA
| VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR (T=3* VLP) | Descriptor: | VelcroVax tandem HBcAg with SUMO-Affimer inserted at MIR | Authors: | Kingston, N.J, Grehan, K, Snowden, J.S, Alzahrani, J, Ranson, N.A, Rowlands, D.J, Stonehouse, N.J. | Deposit date: | 2022-04-29 | Release date: | 2023-01-18 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | VelcroVax: a "Bolt-On" Vaccine Platform for Glycoprotein Display. Msphere, 8, 2023
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6WJG
| PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma | Descriptor: | DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit | Authors: | Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S. | Deposit date: | 2020-04-13 | Release date: | 2020-12-02 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma. Plos Biol., 18, 2020
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6SGC
| Rabbit 80S ribosome stalled on a poly(A) tail | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S12, ... | Authors: | Chandrasekaran, V, Juszkiewicz, S, Choi, J, Puglisi, J.D, Brown, A, Shao, S, Ramakrishnan, V, Hegde, R.S. | Deposit date: | 2019-08-03 | Release date: | 2019-12-04 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Mechanism of ribosome stalling during translation of a poly(A) tail. Nat.Struct.Mol.Biol., 26, 2019
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6NPZ
| Crystal structure of Akt1 (aa 123-480) kinase with a bisubstrate | Descriptor: | GLYCEROL, MANGANESE (II) ION, RAC-alpha serine/threonine-protein kinase, ... | Authors: | Chu, N, Cole, P.A, Gabelli, S.B. | Deposit date: | 2019-01-18 | Release date: | 2019-01-30 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Akt Kinase Activation Mechanisms Revealed Using Protein Semisynthesis. Cell, 174, 2018
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6WKS
| Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ... | Authors: | Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H. | Deposit date: | 2020-04-16 | Release date: | 2020-05-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of RNA cap modification by SARS-CoV-2. Nat Commun, 11, 2020
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7Q60
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4ZE9
| Se-PBP AccA from A. tumefaciens C58 in complex with agrocinopine A | Descriptor: | 2-O-phosphono-alpha-L-arabinopyranose, ABC transporter substrate-binding protein, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | El Sahili, A, Guimaraes, B.G, Morera, S. | Deposit date: | 2015-04-20 | Release date: | 2015-08-19 | Last modified: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Pyranose-2-Phosphate Motif Is Responsible for Both Antibiotic Import and Quorum-Sensing Regulation in Agrobacterium tumefaciens. Plos Pathog., 11, 2015
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8S04
| A fragment-based inhibitor of SHP2 | Descriptor: | N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-13 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0P
| A fragment-based inhibitor of SHP2 | Descriptor: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Cleasby, A, Price, A. | Deposit date: | 2024-02-14 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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7MZX
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4TQO
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8GDR
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