2E95
 
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675 | | 分子名称: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E94
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364 | | 分子名称: | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E9C
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-675 | | 分子名称: | 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E9D
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-676 | | 分子名称: | Undecaprenyl pyrophosphate synthetase, [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID) | | 著者 | Guo, R.T, Cao, R, Ko, T.P, Liang, P.H, Oldfield, E, Wang, A.H.J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E98
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-629 | | 分子名称: | Undecaprenyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2FJ2
 | | Crystal Structure of Viral Macrophage Inflammatory Protein-II | | 分子名称: | Viral macrophage inflammatory protein-II | | 著者 | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | | 登録日 | 2005-12-30 | | 公開日 | 2006-12-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
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2E99
 | | E. coli undecaprenyl pyrophosphate synthase in complex with BPH-608 | | 分子名称: | (1-HYDROXY-1-PHOSPHONO-2-[1,1';3',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E93
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with BPH-629 | | 分子名称: | Geranylgeranyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID | | 著者 | Guo, R.T, Cao, R, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2FHT
 | | Crystal Structure of Viral Macrophage Inflammatory Protein-II | | 分子名称: | Viral macrophage inflammatory protein-II | | 著者 | Li, Y, Liu, D, Cao, R, Kumar, S, Dong, C.Z, wilson, S.R, Gao, Y.G, Huang, Z. | | 登録日 | 2005-12-27 | | 公開日 | 2006-12-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of chemically synthesized vMIP-II.
Proteins, 67, 2007
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2E92
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-261 | | 分子名称: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Jeng, W.Y, Chen, C.K.-M, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2E91
 | | S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-91 | | 分子名称: | Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ZOLEDRONIC ACID | | 著者 | Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J. | | 登録日 | 2007-01-24 | | 公開日 | 2007-06-12 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4RXA
 | | Crystal structure of human farnesyl diphosphate synthase in complex with BPH-1358 | | 分子名称: | Farnesyl pyrophosphate synthase, N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]biphenyl-4,4'-dicarboxamide, PHOSPHATE ION | | 著者 | Liu, Y.-L, Cao, R, Wang, Y, Oldfield, E. | | 登録日 | 2014-12-09 | | 公開日 | 2015-04-15 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries.
ACS Med Chem Lett, 6, 2015
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6L17
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-09-02 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6L11
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 5-(2-chloranylphenoxazin-10-yl)-~{N},~{N}-diethyl-pentan-1-amine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6L13
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 2-chloranyl-10-(2-piperidin-4-ylethyl)phenoxazine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6L14
 | | Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives | | 分子名称: | 2-chloranyl-10-[3-[(3~{S})-piperidin-3-yl]propyl]phenoxazine, Serine/threonine-protein kinase pim-1 | | 著者 | Zhang, W, Xie, Y, Cao, R, Huang, N, Zhou, Y. | | 登録日 | 2019-09-27 | | 公開日 | 2020-05-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors.
J.Chem.Inf.Model., 60, 2020
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | 分子名称: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | 登録日 | 2018-08-05 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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6AK4
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | 分子名称: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | 著者 | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | 登録日 | 2018-08-30 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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5XYX
 | | The structure of p38 alpha in complex with a triazol inhibitor | | 分子名称: | Mitogen-activated protein kinase 14, N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-01-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5XYY
 | | The structure of p38 alpha in complex with a triazol inhibitor | | 分子名称: | 3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-4H-1,2,4-triazol-3-yl)phenol, Mitogen-activated protein kinase 14 | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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5XYZ
 | | The structure of human BTK kinase domain in complex with a covalent inhibitor | | 分子名称: | N-[3-(5-{[(2-chloro-6-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-3-yl)phenyl]propanamide, Tyrosine-protein kinase BTK | | 著者 | Wang, Y.L, Sun, Y.Z, Cao, R, Liu, D, Xie, Y.T, Li, L, Qi, X.B, Huang, N. | | 登録日 | 2017-07-11 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | In Silico Identification of a Novel Hinge-Binding Scaffold for Kinase Inhibitor Discovery.
J. Med. Chem., 60, 2017
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7VU5
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7XH0
 | | crystal structure of Csn-PD from Paenibacillus dendritiformis | | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, Chitosanase | | 著者 | Sun, H.H, Cheng, Y.M, Cao, R, Liu, Q, Zhao, L. | | 登録日 | 2022-04-07 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | crystal structure of Csn-PD from Paenibacillus dendritiformis
To Be Published
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3LGZ
 | | Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with presqualene pyrophosphate | | 分子名称: | Dehydrosqualene synthase, MAGNESIUM ION, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate | | 著者 | Lin, F.-Y, Liu, Y.-L, Liu, C.-I, Wang, A.H.J, Oldfield, E. | | 登録日 | 2010-01-21 | | 公開日 | 2010-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Mechanism of action and inhibition of dehydrosqualene synthase.
Proc.Natl.Acad.Sci.USA, 107, 2010
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6L8R
 | | membrane-bound PD-L1-CD | | 分子名称: | Programmed cell death 1 ligand 1 | | 著者 | Maorong, W, Cao, Y, Bin, W, Bo, O. | | 登録日 | 2019-11-07 | | 公開日 | 2020-11-11 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | PD-L1 degradation is regulated by electrostatic membrane association of its cytoplasmic domain.
Nat Commun, 12, 2021
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