7CJR
 
 | | Crystal structure of a periplasmic sensor domain of histidine kinase VbrK | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histidine kinase | | Authors: | Goh, B.C, Chua, Y.K, Qian, X, Savko, M, Lescar, J. | | Deposit date: | 2020-07-12 | | Release date: | 2020-09-16 | | Last modified: | 2020-10-14 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of the periplasmic sensor domain of histidine kinase VbrK suggests indirect sensing of beta-lactam antibiotics.
J.Struct.Biol., 212, 2020
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7CHT
 | | Crystal structure of TTK kinase domain in complex with compound 30 | | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Ko, E.H, Choi, H.G, Son, J.B, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CJE
 | | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase | | Descriptor: | GLYCEROL, Glutamine cyclotransferase-related protein, MAGNESIUM ION, ... | | Authors: | Ruiz-Carrillo, D, Lamers, S, Feng, Q, Yu, S, Sun, B, Jiang, J, Lukman, M. | | Deposit date: | 2020-07-10 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.950007 Å) | | Cite: | Structural and kinetic characterization of Porphyromonas gingivalis glutaminyl cyclase.
Biol.Chem., 402, 2021
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7CHM
 | | Crystal structure of TTK kinase domain in complex with compound 8 | | Descriptor: | 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CHN
 | | Crystal structure of TTK kinase domain in complex with compound 9 | | Descriptor: | 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-06 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CLH
 | | Crystal structure of TTK kinase domain in complex with compound 19 | | Descriptor: | 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-21 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7C41
 | | KRAS G12V and H-REV107 peptide complex | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, HRAS-like suppressor 3, ... | | Authors: | Han, C.W, Jeong, M.S, Jang, S.B. | | Deposit date: | 2020-05-14 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.276 Å) | | Cite: | A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants.
Cancers (Basel), 12, 2020
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7CJA
 | | Crystal structure of TTK kinase domain in complex with compound 28 | | Descriptor: | 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-09 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7CIL
 | | Crystal structure of TTK kinase domain in complex with compound 7 | | Descriptor: | 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Dual specificity protein kinase TTK | | Authors: | Kim, H.L, Cho, H.Y, Park, Y.W, Lee, Y.H, Son, J.B, Ko, E.H, Choi, H.G, Kim, N.D. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray Crystal Structure-Guided Design and Optimization of 7 H -Pyrrolo[2,3- d ]pyrimidine-5-carbonitrile Scaffold as a Potent and Orally Active Monopolar Spindle 1 Inhibitor.
J.Med.Chem., 64, 2021
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7C3Z
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7C40
 | | MgGDP bound KRAS G12V | | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | | Authors: | Han, C.W, Jeong, M.S, Jang, S.B. | | Deposit date: | 2020-05-14 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.516 Å) | | Cite: | A H-REV107 Peptide Inhibits Tumor Growth and Interacts Directly with Oncogenic KRAS Mutants.
Cancers (Basel), 12, 2020
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7C7B
 | | Crystal structure of human TRAP1 with SJT009 | | Descriptor: | 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | | Deposit date: | 2020-05-24 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
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7C7C
 | | Crystal structure of human TRAP1 with SJT104 | | Descriptor: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | | Deposit date: | 2020-05-24 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
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7C9J
 | | Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension) | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Protein-glutamine gamma-glutamyltransferase | | Authors: | Takita, T, Mikami, B, Lei, Y, Jing, Y, Yamada, A, Yasukawa, K. | | Deposit date: | 2020-06-06 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Transglutaminase from Geobacillus stearothermophilus (without C-terminal extension)
To be published
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7CSQ
 | | Solution structure of the complex between p75NTR-DD and TRADD-DD | | Descriptor: | Tumor necrosis factor receptor superfamily member 16, Tumor necrosis factor receptor type 1-associated DEATH domain protein | | Authors: | Lin, Z, Zhang, N. | | Deposit date: | 2020-08-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis of NF-kappa B signaling by the p75 neurotrophin receptor interaction with adaptor protein TRADD through their respective death domains.
J.Biol.Chem., 297, 2021
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7CKB
 | | Simplified Alpha-Carboxysome, T=3 | | Descriptor: | Major carboxysome shell protein 1A, Unidentified carboxysome polypeptide | | Authors: | Tan, Y.Q, Ali, S, Xue, B, Robinson, R.C, Narita, A, Yew, W.S. | | Deposit date: | 2020-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
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7CKC
 | | Simplified Alpha-Carboxysome, T=4 | | Descriptor: | Major carboxysome shell protein 1A, Unidentified carboxysome polypeptide | | Authors: | Tan, Y.Q, Ali, S, Xue, B, Robinson, R.C, Narita, A, Yew, W.S. | | Deposit date: | 2020-07-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structure of a Minimal alpha-Carboxysome-Derived Shell and Its Utility in Enzyme Stabilization.
Biomacromolecules, 22, 2021
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6DRI
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9BDN
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4URD
 | | Cryo-EM map of Trigger Factor bound to a translating ribosome | | Descriptor: | TRIGGER FACTOR | | Authors: | Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R. | | Deposit date: | 2014-06-27 | | Release date: | 2016-01-13 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Dynamic Behavior of Trigger Factor on the Ribosome.
J.Mol.Biol., 428, 2016
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8XY0
 | | Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR | | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase A | | Authors: | Nakamura, T, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K. | | Deposit date: | 2024-01-19 | | Release date: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR.
Sci Rep, 14, 2024
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8Y8Y
 | | Crystal structure of the PTPN21 FERM domain | | Descriptor: | CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 21 | | Authors: | Lee, H.S, Ku, B. | | Deposit date: | 2024-02-06 | | Release date: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.099 Å) | | Cite: | Structural analysis of the FERM domain of human protein tyrosine phosphatase non-receptor type 21.
Acta Crystallogr.,Sect.F, 80, 2024
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8YWO
 | | Crystal structure of L-azetidine-2-carboxylate hydrolase soaked in (S)-azetidine-2-carboxylic acid | | Descriptor: | (2S)-azetidine-2-carboxylic acid, (S)-2-haloacid dehalogenase | | Authors: | Toyoda, M, Mizutani, K, Mikami, B, Wackett, L.P, Esaki, N, Kurihara, T. | | Deposit date: | 2024-03-31 | | Release date: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Research for the crystal structure of L-azetidine-2-carboxylate hydrolase
To Be Published
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8YY8
 | | Fzd7 -Gs complex | | Descriptor: | Frizzled-7, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Chen, B, Xu, L, Han, G.W, Xu, F. | | Deposit date: | 2024-04-03 | | Release date: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Cryo-EM structure of constitutively active human Frizzled 7 in complex with heterotrimeric G s .
Cell Res., 31, 2021
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9BDP
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