4M5C
| Crystal Structure of an Truncated Transition metal Transporter | Descriptor: | COBALT (II) ION, Cobalamin biosynthesis protein CbiM, HEXANE-1,6-DIOL | Authors: | Yu, Y, Zhou, M.Z, Gu, J.K. | Deposit date: | 2013-08-08 | Release date: | 2014-03-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters Cell Res., 24, 2014
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4GIF
| C-terminal coiled-coil domain of transient receptor potential channel TRPP3 (PKD2L1, Polycystin-L) | Descriptor: | Polycystic kidney disease 2-like 1 protein | Authors: | Yu, Y, Ulbrich, M.H, Li, M.-H, Dobbins, S, Zhang, W.K, Tong, L, Isacoff, E.Y, Yang, J. | Deposit date: | 2012-08-08 | Release date: | 2012-12-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular mechanism of the assembly of an acid-sensing receptor ion channel complex. Nat Commun, 3, 2012
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3V4V
| crystal structure of a4b7 headpiece complexed with Fab ACT-1 and RO0505376 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yu, Y, Zhu, J, Springer, T.A. | Deposit date: | 2011-12-15 | Release date: | 2012-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion J.Cell Biol., 196, 2012
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3V4P
| crystal structure of a4b7 headpiece complexed with Fab ACT-1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Yu, Y, Zhu, J, Springer, T.A. | Deposit date: | 2011-12-15 | Release date: | 2012-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion J.Cell Biol., 196, 2012
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4IRZ
| Crystal structure of A4b7 headpiece complexed with Fab Natalizumab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Yu, Y, Schurpf, T, Springer, T.A. | Deposit date: | 2013-01-15 | Release date: | 2013-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | How natalizumab binds and antagonizes alpha 4 integrins. J.Biol.Chem., 288, 2013
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5XLZ
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5XLT
| The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | Descriptor: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-05-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.813 Å) | Cite: | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design Biochem. Biophys. Res. Commun., 493, 2017
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4MKI
| Cobalt transporter ATP-binding subunit | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Energy-coupling factor transporter ATP-binding protein EcfA2, SULFATE ION | Authors: | Yu, Y, Zhang, L, Chai, C.L, Heymann, D. | Deposit date: | 2013-09-05 | Release date: | 2013-10-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for a homodimeric ATPase subunit of an ECF transporter Protein Cell, 4, 2013
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6JMD
| Crystal structure of human DHODH in complex with inhibitor 1223 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6JME
| Crystal structure of human DHODH in complex with inhibitor 0946 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-(2-fluorophenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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6J3B
| Crystal structure of human DHODH in complex with inhibitor 1289 | Descriptor: | (6R)-1-[3,5-bis(fluoranyl)-4-[2-fluoranyl-5-(hydroxymethyl)phenyl]phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-01-04 | Release date: | 2019-08-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode. Febs Open Bio, 9, 2019
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6J3C
| Crystal structure of human DHODH in complex with inhibitor 1291 | Descriptor: | (6R)-1-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]-6-propan-2-yl-6,7-dihydro-5H-benzotriazol-4-one, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-01-04 | Release date: | 2019-08-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | A novel series of human dihydroorotate dehydrogenase inhibitors discovered by in vitro screening: inhibition activity and crystallographic binding mode. Febs Open Bio, 9, 2019
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7VYU
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6K9V
| Crystal structure of tubulin in complex with inhibitor D64 | Descriptor: | (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-06-18 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.543 Å) | Cite: | Structural insights into the design of indole derivatives as tubulin polymerization inhibitors. Febs Lett., 594, 2020
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5YZ3
| Crystal structure of T2R-TTL-28 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-12-12 | Release date: | 2018-10-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.545 Å) | Cite: | A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors. Cancer Res., 78, 2018
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7DQH
| E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-23 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQW
| E. coli GyrB ATPase domain in complex with 4-chlorophenol | Descriptor: | 1H-benzimidazol-2-amine, 4-chlorophenol, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQS
| E. coli GyrB ATPase domain in complex with 2-chlorophenol | Descriptor: | 1H-benzimidazol-2-amine, 2-CHLOROPHENOL, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DPS
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7DQI
| E. coli GyrB ATPase domain in complex with Esculetin | Descriptor: | 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-23 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DPR
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7DQM
| E. coli GyrB ATPase domain in complex with Naringenin | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQJ
| E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone | Descriptor: | 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DQL
| E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol | Descriptor: | 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-24 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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7DOR
| E. coli GyrB ATPase domain in complex with 4-nitropheno | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ... | Authors: | Yu, Y, Zhou, H. | Deposit date: | 2020-12-16 | Release date: | 2021-10-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors. Bioorg.Chem., 114, 2021
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