6T8U
 
 | | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | | 分子名称: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | 登録日 | 2019-10-25 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6T8V
 | | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | | 分子名称: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | 登録日 | 2019-10-25 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6OE8
 | | The crystal structure of hyper-thermostable AgUricase mutant K12C/E286C | | 分子名称: | MALONATE ION, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ... | | 著者 | Shi, Y, Wang, T, Zhou, X.E, Liu, Q, Jiang, Y, Xu, H.E. | | 登録日 | 2019-03-27 | | 公開日 | 2019-08-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure-based design of a hyperthermostable AgUricase for hyperuricemia and gout therapy.
Acta Pharmacol.Sin., 40, 2019
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1QHI
 | | HERPES SIMPLEX VIRUS TYPE-I THYMIDINE KINASE COMPLEXED WITH A NOVEL NON-SUBSTRATE INHIBITOR, 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE | | 分子名称: | 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE, PROTEIN (THYMIDINE KINASE), SULFATE ION | | 著者 | Bennett, M.S, Wien, F, Champness, J.N, Batuwangala, T, Rutherford, T, Summers, W.C, Sun, H, Wright, G, Sanderson, M.R. | | 登録日 | 1999-05-12 | | 公開日 | 1999-07-09 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure to 1.9 A resolution of a complex with herpes simplex virus type-1 thymidine kinase of a novel, non-substrate inhibitor: X-ray crystallographic comparison with binding of aciclovir.
FEBS Lett., 443, 1999
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7TDO
 | | Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent zinc metalloprotease FtsH | | 著者 | Liu, W, Schoonen, M, Wang, T, McSweeney, S, Liu, Q. | | 登録日 | 2022-01-02 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | ELECTRON MICROSCOPY (3.15 Å) | | 主引用文献 | Cryo-EM structure of transmembrane AAA+ protease FtsH in the ADP state.
Commun Biol, 5, 2022
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7EAT
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBG
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | | 分子名称: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EA0
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-05 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBH
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | | 分子名称: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EAS
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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7ARM
 | | LolCDE in complex with lipoprotein and LolA | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | | 著者 | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARL
 | | LolCDE in complex with lipoprotein and ADP | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, ADENOSINE-5'-DIPHOSPHATE, LPP, ... | | 著者 | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARJ
 | | LolCDE in complex with lipoprotein and AMPPNP complex undimerized form | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | | 著者 | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARK
 | | LolCDE in complex with AMP-PNP in the closed NBD state | | 分子名称: | Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE, ... | | 著者 | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARI
 | | LolCDE apo structure | | 分子名称: | Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE | | 著者 | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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4AZP
 | | Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide | | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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7ARH
 | | LolCDE in complex with lipoprotein | | 分子名称: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | | 著者 | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | 登録日 | 2020-10-25 | | 公開日 | 2021-04-07 | | 最終更新日 | 2021-04-28 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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4AZR
 | | Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide | | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4AZN
 | | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag-mediated crystal packing | | 分子名称: | FATTY ACID-BINDING PROTEIN, EPIDERMAL | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4AZQ
 | | Murine epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid 2-arachidonoylglycerol | | 分子名称: | 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate, CHLORIDE ION, FATTY ACID-BINDING PROTEIN, ... | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4AZO
 | | Murine epidermal fatty acid-binding protein (FABP5), apo form, poly- his tag removed | | 分子名称: | CHLORIDE ION, FATTY ACID-BINDING PROTEIN, EPIDERMAL | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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4AZM
 | | Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413 | | 分子名称: | ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, FATTY ACID-BINDING PROTEIN, EPIDERMAL, ... | | 著者 | Sanson, B, Wang, T, Sun, J, Kaczocha, M, Ojima, I, Deutsch, D, Li, H. | | 登録日 | 2012-06-26 | | 公開日 | 2013-08-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Crystallographic Study of Fabp5 as an Intracellular Endocannabinoid Transporter.
Acta Crystallogr.,Sect.D, 70, 2014
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5GTR
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