7CJR
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![BU of 7cjr by Molmil](/molmil-images/mine/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
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![BU of 7cht by Molmil](/molmil-images/mine/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
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![BU of 7cje by Molmil](/molmil-images/mine/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
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![BU of 7chm by Molmil](/molmil-images/mine/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
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![BU of 7chn by Molmil](/molmil-images/mine/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
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![BU of 7clh by Molmil](/molmil-images/mine/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
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![BU of 7c41 by Molmil](/molmil-images/mine/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
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![BU of 7cja by Molmil](/molmil-images/mine/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
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![BU of 7cil by Molmil](/molmil-images/mine/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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![BU of 7c3z by Molmil](/molmil-images/mine/7c3z) | |
7C40
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![BU of 7c40 by Molmil](/molmil-images/mine/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
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![BU of 7c7b by Molmil](/molmil-images/mine/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
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![BU of 7c7c by Molmil](/molmil-images/mine/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
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![BU of 7c9j by Molmil](/molmil-images/mine/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
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![BU of 7csq by Molmil](/molmil-images/mine/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
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![BU of 7ckb by Molmil](/molmil-images/mine/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
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![BU of 7ckc by Molmil](/molmil-images/mine/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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![BU of 6dri by Molmil](/molmil-images/mine/6dri) | |
9BDN
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![BU of 9bdn by Molmil](/molmil-images/mine/9bdn) | |
4URD
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![BU of 4urd by Molmil](/molmil-images/mine/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
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![BU of 8xy0 by Molmil](/molmil-images/mine/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
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![BU of 8y8y by Molmil](/molmil-images/mine/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
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![BU of 8ywo by Molmil](/molmil-images/mine/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
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![BU of 8yy8 by Molmil](/molmil-images/mine/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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![BU of 9bdp by Molmil](/molmil-images/mine/9bdp) | |