2G0H
 
 | | Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities | | 分子名称: | N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma | | 著者 | Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y. | | 登録日 | 2006-02-13 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
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7Y6J
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7YBR
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7YCQ
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5VGB
 | | Crystal structure of NmeCas9 HNH domain bound to anti-CRISPR AcrIIC1 | | 分子名称: | Anti-CRISPR protein (AcrIIC1), CRISPR-associated endonuclease Cas9, GLYCEROL, ... | | 著者 | Harrington, L.B, Doxzen, K.W, Ma, E, Knott, G.J, Kranzusch, P.J, Doudna, J.A. | | 登録日 | 2017-04-10 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.497 Å) | | 主引用文献 | A Broad-Spectrum Inhibitor of CRISPR-Cas9.
Cell, 170, 2017
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5VR7
 | | ABA-mimicking ligand AMF1alpha in complex with ABA receptor PYL2 and PP2C HAB1 | | 分子名称: | 1-(2-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | 著者 | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K. | | 登録日 | 2017-05-10 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.612 Å) | | 主引用文献 | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5VSQ
 | | ABA-mimicking ligand AMF2beta in complex with ABA receptor PYL2 and PP2C HAB1 | | 分子名称: | 1-(3,5-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | 著者 | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K. | | 登録日 | 2017-05-12 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.618 Å) | | 主引用文献 | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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5VS5
 | | ABA-mimicking ligand AMF2alpha in complex with ABA receptor PYL2 and PP2C HAB1 | | 分子名称: | 1-(2,3-difluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ... | | 著者 | Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-W, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.E, Zhu, J.-K. | | 登録日 | 2017-05-11 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
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7XFG
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7XIN
 | | Crystal structure of DODC from Pseudomonas | | 分子名称: | DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Li, X, Zhou, Y.L, Liao, L.J, Liu, X.K, Liu, B, Guo, Y, Feng, Z, Sun, D.Y, Zeng, Z.X. | | 登録日 | 2022-04-13 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of DODC from Pseudomonas
To Be Published
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7XIO
 | | Crystal structure of TYR from Ralstonia | | 分子名称: | PHOSPHATE ION, Polyphenol oxidase | | 著者 | Sun, D.Y, Cui, P.P, Liao, L.J, Liu, X.K, Liu, B, Guo, Y, Feng, Z, Zhang, J, Li, X, Zeng, Z.X. | | 登録日 | 2022-04-13 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Crystal structure of TYR from Ralstonia
To Be Published
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7XEZ
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6D6U
 | | Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation A | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ... | | 著者 | Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E. | | 登録日 | 2018-04-22 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.92 Å) | | 主引用文献 | Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
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4V0N
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4UU9
 | | Crystal structure of the human c5a in complex with MEDI7814 a neutralising antibody | | 分子名称: | COMPLEMENT C5, MEDI7814, SULFATE ION | | 著者 | Colley, C, Sridharan, S, Dobson, C, Popovic, B, Debreczeni, J.E, Hargreaves, D, Edwards, B, Brennan, J, England, L, Fung, S, An Eghobamien, L, Sivars, U, Woods, R, Flavell, L, Renshaw, G.J, Wickson, K, Wilkinson, T, Davies, R, Bonnell, J, Warrener, P, Howes, R, Vaughan, T. | | 登録日 | 2014-07-25 | | 公開日 | 2015-08-12 | | 最終更新日 | 2019-02-27 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure and characterization of a high affinity C5a monoclonal antibody that blocks binding to C5aR1 and C5aR2 receptors.
MAbs, 10, 2018
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7QU9
 | | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii. | | 分子名称: | Anthranilate synthase component I family protein, GLYCEROL, TRYPTOPHAN | | 著者 | Rooms, L.D, Race, P.R, Back, C.B, Burton, N.B, Willis, C.L, Stach, J.E.M, Duke, P.W, Hawkins, C. | | 登録日 | 2022-01-17 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure of aminodeoxychorismate synthase component 1 (PabB) from Bacillus subtilis spizizenii.
To Be Published
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6D6T
 | | Human GABA-A receptor alpha1-beta2-gamma2 subtype in complex with GABA and flumazenil, conformation B | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, GAMMA-AMINO-BUTANOIC ACID, ... | | 著者 | Zhu, S, Noviello, C.M, Teng, J, Walsh Jr, R.M, Kim, J.J, Hibbs, R.E. | | 登録日 | 2018-04-22 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (3.86 Å) | | 主引用文献 | Structure of a human synaptic GABAAreceptor.
Nature, 559, 2018
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4WCE
 | | The crystal structure of the large ribosomal subunit of Staphylococcus aureus | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A. | | 登録日 | 2014-09-04 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.526 Å) | | 主引用文献 | Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4UZY
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7RS9
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-25 | | 分子名称: | (1S,2R,4S)-N-[4-(benzyloxy)phenyl]-5,6-bis(4-hydroxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor | | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2021-08-11 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RS4
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-8 | | 分子名称: | (2E)-3-{4-[(1E)-2-(2-chloro-4-fluorophenyl)-1-(2H-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid, CHLORIDE ION, Estrogen receptor | | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2021-08-10 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RRY
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-20 | | 分子名称: | (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, CHLORIDE ION, Estrogen receptor | | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2021-08-10 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RS2
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-23 | | 分子名称: | (2E)-3-(4-{[(1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoic acid, Estrogen receptor | | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2021-08-10 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RS1
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-21 | | 分子名称: | Estrogen receptor, methyl 3-(4-{[(1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonyl](2,2,2-trifluoroethyl)amino}phenyl)prop-2-enoate | | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2021-08-10 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7RRZ
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-30 | | 分子名称: | (1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor | | 著者 | Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. | | 登録日 | 2021-08-10 | | 公開日 | 2021-09-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Dual-mechanism estrogen receptor inhibitors.
Proc.Natl.Acad.Sci.USA, 118, 2021
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