8XPV
| The Crystal Structure of EphA2 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, Ephrin type-A receptor 2, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | Deposit date: | 2024-01-04 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure of EphA2 from Biortus. To Be Published
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8X88
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8X87
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8YHF
| The Crystal Structure of the Type I TGF beta receptor from Biortus. | Descriptor: | 2-fluoranyl-~{N}-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1~{H}-imidazol-2-yl]methyl]aniline, TGF-beta receptor type-1 | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | Deposit date: | 2024-02-28 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Type I TGF beta receptor from Biortus. To Be Published
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8YGY
| Structure of the KLK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-1, SULFATE ION, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | Deposit date: | 2024-02-27 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structure of the KLK1 from Biortus. To Be Published
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9EUO
| Outward-open structure of Drosophila dopamine transporter bound to an atypical non-competitive inhibitor | Descriptor: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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9EUP
| Inhibitor-free outward-open structure of Drosophila dopamine transporter | Descriptor: | 9D5 ANTIBODY, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Pedersen, C.N, Yang, F, Ita, S, Xu, Y, Akunuri, R, Trampari, S, Neumann, C.M.T, Desdorf, L.M, Schioett, B, Salvino, J.M, Mortensen, O.V, Nissen, P, Shahsavar, A. | Deposit date: | 2024-03-27 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. J.Neurochem., 2024
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8YHW
| The Crystal Structure of NF-kB-inducing Kinase (NIK) from Biortus | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, MAGNESIUM ION, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | Deposit date: | 2024-02-28 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | The Crystal Structure of NF-kB-inducing Kinase (NIK) from Biortus To Be Published
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6IMD
| Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ... | Authors: | Zhang, X, Su, H, Xu, Y. | Deposit date: | 2018-10-22 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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5XSR
| novel orally efficacious inhibitors complexed with PARP1 | Descriptor: | 6-fluoranyl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-1~{H}-benzimidazole-4-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Liu, Q, Xu, Y. | Deposit date: | 2017-06-15 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors Eur J Med Chem, 145, 2018
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7WPD
| SARS-CoV-2 Omicron Variant S Trimer complexed with one JMB2002 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7WPF
| SARS-CoV-2 Omicron Variant S Trimer complexed with three JMB2002 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-16 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7WPE
| SARS-CoV-2 Omicron Variant S Trimer complexed with two JMB2002 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-Fab nanobody, ... | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-23 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (2.69 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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7WRV
| The interface of JMB2002 Fab binds to SARS-CoV-2 Omicron Variant S | Descriptor: | JMB2002 Fab heavy chain, JMB2002 Fab light chain, Spike glycoprotein | Authors: | Yin, W, Xu, Y, Xu, P, Cao, X, Wu, C, Gu, C, He, X, Wang, X, Huang, S, Yuan, Q, Wu, K, Hu, W, Huang, Z, Liu, J, Wang, Z, Jia, F, Xia, K, Liu, P, Wang, X, Song, B, Zheng, J, Jiang, H, Cheng, X, Jiang, Y, Deng, S.J, Xu, H.E. | Deposit date: | 2022-01-27 | Release date: | 2022-03-23 | Method: | ELECTRON MICROSCOPY (2.47 Å) | Cite: | Structures of the Omicron spike trimer with ACE2 and an anti-Omicron antibody. Science, 375, 2022
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4LK2
| Crystal structure of RNA splicing effector Prp5 | Descriptor: | NICKEL (II) ION, Pre-mRNA-processing ATP-dependent RNA helicase PRP5 | Authors: | Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J. | Deposit date: | 2013-07-05 | Release date: | 2013-12-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly. Cell Rep, 5, 2013
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7WJS
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-07 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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6JHJ
| Structure of Marine bacterial laminarinase mutant-E135A | Descriptor: | CALCIUM ION, LamCAT | Authors: | Yang, J, Xu, Y, Miyakawa, T, Tanokura, M, Long, L. | Deposit date: | 2019-02-18 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular Basis for Substrate Recognition and Catalysis by a Marine Bacterial Laminarinase. Appl.Environ.Microbiol., 86, 2020
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7WKY
| Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-12 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMU
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNI
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 | Descriptor: | 1,2-ETHANEDIOL, 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WN5
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 | Descriptor: | 1,2-ETHANEDIOL, Isoform 4 of Bromodomain-containing protein 2, POTASSIUM ION, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WLN
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 | Descriptor: | 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-13 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WMQ
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 | Descriptor: | 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, FORMIC ACID, GLYCEROL, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-16 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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7WNA
| Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Isoform 4 of Bromodomain-containing protein 2, ... | Authors: | Li, J, Zhang, C, Xu, H, Zhuang, X, Wu, X, Zhang, Y, Xu, Y. | Deposit date: | 2022-01-17 | Release date: | 2022-08-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors. J.Med.Chem., 65, 2022
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4LJY
| Crystal structure of RNA splicing effector Prp5 in complex with ADP | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Zhang, Z.-M, Li, J, Yang, F, Xu, Y, Zhou, J. | Deposit date: | 2013-07-05 | Release date: | 2013-12-11 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of Prp5p reveals interdomain interactions that impact spliceosome assembly. Cell Rep, 5, 2013
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