6TFY
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c | Descriptor: | Epidermal growth factor receptor, SULFATE ION, ~{N}-[5-[4-[[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-oxidanylpropoxy)phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TFW
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d | Descriptor: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6S8A
| Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6S89
| Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, ~{N}-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-07-09 | Release date: | 2019-10-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6TFV
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6TG1
| Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, SODIUM ION, ... | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | Deposit date: | 2019-11-14 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Targeting Her2-insYVMA with Covalent Inhibitors-A Focused Compound Screening and Structure-Based Design Approach. J.Med.Chem., 63, 2020
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6HVF
| Kinase domain of cSrc in complex with compound 29B | Descriptor: | 1,2-ETHANEDIOL, Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6HVE
| Kinase domain of cSrc in complex with compound 9 | Descriptor: | Proto-oncogene tyrosine-protein kinase Src, ~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide | Authors: | Keul, M, Mueller, M.P, Rauh, D. | Deposit date: | 2018-10-10 | Release date: | 2019-10-23 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibition of osimertinib-resistant epidermal growth factor receptor EGFR-T790M/C797S. Chem Sci, 10, 2019
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6AE3
| Crystal structure of GSK3beta complexed with Morin | Descriptor: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, GLYCEROL, Glycogen synthase kinase-3 beta | Authors: | Kim, K.L, Cha, J.S, Kim, J.S, Ahn, J.S, Ha, N.C, Cho, H.S. | Deposit date: | 2018-08-03 | Release date: | 2018-09-19 | Last modified: | 2018-10-03 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of GSK3 beta in complex with the flavonoid, morin Biochem. Biophys. Res. Commun., 504, 2018
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6KGY
| HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulphide oxidoreductase dimerisation region | Authors: | Baek, Y, Ha, N.-C. | Deposit date: | 2019-07-12 | Release date: | 2020-02-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure and function of the hypochlorous acid-induced flavoprotein RclA fromEscherichia coli. J.Biol.Chem., 295, 2020
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6CSV
| The structure of the Cep63-Cep152 heterotetrameric complex | Descriptor: | Centrosomal protein of 63 kDa,Centrosomal protein of 152 kDa | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | Deposit date: | 2018-03-21 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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6CSU
| The structure of the Cep63-Cep152 heterotetrameric complex | Descriptor: | Centrosomal protein of 152 kDa, Centrosomal protein of 63 kDa | Authors: | Lee, E, Chen, Y, Zhang, L, Kim, T.S, Ahn, J.I, Park, J.E, Lee, K.S. | Deposit date: | 2018-03-21 | Release date: | 2019-03-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular architecture of a cylindrical self-assembly at human centrosomes. Nat Commun, 10, 2019
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6KGZ
| bacterial cystathionine gamma-lyase MccB of Staphylococcus aureus | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cystathionine gamma-lyase | Authors: | Ha, N.-C, Lee, D. | Deposit date: | 2019-07-12 | Release date: | 2020-03-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Bacterial Cystathionine Gamma-Lyase in The Cysteine Biosynthesis Pathway of Staphylococcus aureus Crystals, 9, 2019
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6KHQ
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6XQI
| Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | Descriptor: | ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ... | Authors: | Calero, G.C, Wu, Y, Weiss, S.C. | Deposit date: | 2020-07-09 | Release date: | 2021-08-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A. Nat Commun, 12, 2021
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6XQJ
| Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A | Descriptor: | Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION | Authors: | Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M. | Deposit date: | 2020-07-09 | Release date: | 2021-11-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A. Nat Commun, 12, 2021
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6DS6
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5ZNX
| Crystal structure of CM14-treated HlyU from Vibrio vulnificus | Descriptor: | Transcriptional activator | Authors: | Park, N, Kim, S, Jo, I, Ahn, J, Hong, S, Jeong, S, Baek, Y. | Deposit date: | 2018-04-11 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.114 Å) | Cite: | Small-molecule inhibitor of HlyU attenuates virulence of Vibrio species. Sci Rep, 9, 2019
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7W91
| Residues 440-490 of centrosomal protein 63 | Descriptor: | Centrosomal protein of 63 kDa | Authors: | Yun, H.Y, Ku, B. | Deposit date: | 2021-12-09 | Release date: | 2023-07-19 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Architectural basis for cylindrical self-assembly governing Plk4-mediated centriole duplication in human cells. Commun Biol, 6, 2023
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3J3Q
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3J3Y
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3J4F
| Structure of HIV-1 capsid protein by cryo-EM | Descriptor: | capsid protein | Authors: | Zhao, G, Perilla, J.R, Meng, X, Schulten, K, Zhang, P. | Deposit date: | 2013-07-11 | Release date: | 2013-07-24 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (8.6 Å) | Cite: | Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nature, 497, 2013
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5U2J
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6OIX
| Structure of Escherichia coli dGTPase bound to GTP | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION | Authors: | Barnes, C.O, Wu, Y, Calero, G. | Deposit date: | 2019-04-09 | Release date: | 2019-05-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6OI7
| Se-Met structure of apo- Escherichia coli dGTPase | Descriptor: | Deoxyguanosinetriphosphate triphosphohydrolase, MANGANESE (II) ION, SULFATE ION | Authors: | Calero, G, Barnes, C.O, Wu, Y. | Deposit date: | 2019-04-08 | Release date: | 2019-05-29 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The crystal structure of dGTPase reveals the molecular basis of dGTP selectivity. Proc.Natl.Acad.Sci.USA, 116, 2019
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