5GJJ
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5CA0
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![BU of 5ca0 by Molmil](/molmil-images/mine/5ca0) | Crystal structure of T2R-TTL-Lexibulin complex | Descriptor: | 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-29 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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5XHC
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![BU of 5xhc by Molmil](/molmil-images/mine/5xhc) | Crystal structure of T2R-TTL-PO10 complex | Descriptor: | (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Chu, Y, Wang, Y, Yang, J, Li, W. | Deposit date: | 2017-04-20 | Release date: | 2017-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Synthesis, biological evaluation and X-ray structure of anti-microtubule agents To Be Published
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5C8C
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![BU of 5c8c by Molmil](/molmil-images/mine/5c8c) | Crystal structure of recombinant coxsackievirus A16 capsid | Descriptor: | CHLORIDE ION, POTASSIUM ION, STEARIC ACID, ... | Authors: | Ren, J, Wang, X, Zhu, L, Hu, Z, Gao, Q, Yang, P, Li, X, Wang, J, Shen, X, Fry, E.E, Rao, Z, Stuart, D.I. | Deposit date: | 2015-06-25 | Release date: | 2015-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of Coxsackievirus A16 Capsids with Native Antigenicity: Implications for Particle Expansion, Receptor Binding, and Immunogenicity. J.Virol., 89, 2015
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4RA2
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![BU of 4ra2 by Molmil](/molmil-images/mine/4ra2) | PP2Ca | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A | Authors: | Pan, C, Tang, J.Y, Xu, Y.F, Xiao, P, Liu, H.D, Wang, H.A, Wang, W.B, Meng, F.G, Yu, X, Sun, J.P. | Deposit date: | 2014-09-09 | Release date: | 2015-05-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | The catalytic role of the M2 metal ion in PP2Ca SCI REP, 2015
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5CB4
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![BU of 5cb4 by Molmil](/molmil-images/mine/5cb4) | Crystal structure of T2R-TTL-Tivantinib complex | Descriptor: | (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | Deposit date: | 2015-06-30 | Release date: | 2015-11-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.193 Å) | Cite: | Structures of a diverse set of colchicine binding site inhibitors in complex with tubulin provide a rationale for drug discovery. Febs J., 283, 2016
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5XKG
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![BU of 5xkg by Molmil](/molmil-images/mine/5xkg) | Crystal structure of T2R-TTL-CH1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ... | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | Deposit date: | 2017-05-07 | Release date: | 2018-04-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors To Be Published
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5XI5
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![BU of 5xi5 by Molmil](/molmil-images/mine/5xi5) | Crystal structure of T2R-TTL-PO5 complex | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Chu, Y, Wang, Y, Yang, J, Li, W. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Synthesis, biological evaluation and X-ray structure of anti-microtubule agents To Be Published
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6YPZ
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![BU of 6ypz by Molmil](/molmil-images/mine/6ypz) | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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6YQ6
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![BU of 6yq6 by Molmil](/molmil-images/mine/6yq6) | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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6YQ3
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![BU of 6yq3 by Molmil](/molmil-images/mine/6yq3) | Promiscuous Reductase LugOII Catalyzes Keto-reduction at C1 during Lugdunomycin Biosynthesis | Descriptor: | (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione, 1,2-ETHANEDIOL, Monooxygenase, ... | Authors: | Xiao, X, Elsayed, S.S, Wu, C, van der Heul, H, Prota, A, Huang, J, Guo, R, Abrahams, J.P, van Wezel, G.P. | Deposit date: | 2020-04-16 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Functional and Structural Insights into a Novel Promiscuous Ketoreductase of the Lugdunomycin Biosynthetic Pathway. Acs Chem.Biol., 15, 2020
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5CTX
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![BU of 5ctx by Molmil](/molmil-images/mine/5ctx) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5CPH
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![BU of 5cph by Molmil](/molmil-images/mine/5cph) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ... | Authors: | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-21 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5CTW
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![BU of 5ctw by Molmil](/molmil-images/mine/5ctw) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ... | Authors: | Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | Deposit date: | 2015-07-24 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5XKH
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![BU of 5xkh by Molmil](/molmil-images/mine/5xkh) | Crystal structure of T2R-TTL-CF1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ... | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | Deposit date: | 2017-05-07 | Release date: | 2018-06-20 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors To Be Published
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6GYP
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![BU of 6gyp by Molmil](/molmil-images/mine/6gyp) | Cryo-EM structure of the CBF3-core-Ndc10-DBD complex of the budding yeast kinetochore | Descriptor: | ARGININE, ASPARAGINE, Centromere DNA-binding protein complex CBF3 subunit A, ... | Authors: | Yan, K, Zhang, Z, Yang, J, McLaughlin, S.H, Barford, D. | Deposit date: | 2018-07-01 | Release date: | 2018-12-05 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Architecture of the CBF3-centromere complex of the budding yeast kinetochore. Nat. Struct. Mol. Biol., 25, 2018
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4BH6
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![BU of 4bh6 by Molmil](/molmil-images/mine/4bh6) | Insights into degron recognition by APC coactivators from the structure of an Acm1-Cdh1 complex | Descriptor: | APC/C ACTIVATOR PROTEIN CDH1, APC/C-CDH1 MODULATOR 1 | Authors: | He, J, Chao, W.C.H, Zhang, Z, Yang, J, Cronin, N, Barford, D. | Deposit date: | 2013-03-29 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Insights Into Degron Recognition by Apc/C Coactivators from the Structure of an Acm1-Cdh1 Complex. Mol.Cell, 50, 2013
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3K3N
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![BU of 3k3n by Molmil](/molmil-images/mine/3k3n) | Crystal structure of the catalytic core domain of human PHF8 | Descriptor: | FE (II) ION, PHD finger protein 8 | Authors: | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | Deposit date: | 2009-10-03 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
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4G1R
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![BU of 4g1r by Molmil](/molmil-images/mine/4g1r) | Crystal structure of anti-HIV actinohivin in complex with alphs-1,2-mannobiose (Form II) | Descriptor: | Actinohivin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose | Authors: | Hoque, M.M, Suzuki, K, Tsunoda, M, Jiang, J, Zhang, F, Takahashi, A, Naomi, O, Zhang, X, Sekiguchi, T, Tanaka, H, Omura, S, Takenaka, A. | Deposit date: | 2012-07-11 | Release date: | 2013-07-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Matured structure of anti-HIV lectin actinohivin in complex with alpha-1,2-mannobiose To be Published
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8H99
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![BU of 8h99 by Molmil](/molmil-images/mine/8h99) | Crystal structure of E. coli ThrS catalytic domain mutant | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, IMIDAZOLE, MAGNESIUM ION, ... | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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8H9C
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![BU of 8h9c by Molmil](/molmil-images/mine/8h9c) | Crystal structure of chemically modified E. coli ThrS catalytic domain 4 | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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8H98
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![BU of 8h98 by Molmil](/molmil-images/mine/8h98) | Crystal structure of chemically modified E. coli ThrS catalytic domain 1 | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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6WGB
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![BU of 6wgb by Molmil](/molmil-images/mine/6wgb) | Crystal structure of the fab portion of dupilumab | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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8H9B
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![BU of 8h9b by Molmil](/molmil-images/mine/8h9b) | Crystal structure of chemically modified E. coli ThrS catalytic domain 3 | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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8H9A
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![BU of 8h9a by Molmil](/molmil-images/mine/8h9a) | Crystal structure of chemically modified E. coli ThrS catalytic domain 2 | Descriptor: | N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION | Authors: | Qiao, H, Xia, M, Wang, J, Fang, P. | Deposit date: | 2022-10-25 | Release date: | 2023-02-08 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tyrosine-targeted covalent inhibition of a tRNA synthetase aided by zinc ion. Commun Biol, 6, 2023
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