PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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7CMF	Crystal structure of human P-cadherin REC12 (monomer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor) 分子名称: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3 著者 Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K. 登録日 2020-07-27 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion Commun Biol, 4, 2021
8FPX	Crystal structure of tumor related RhoA mutant A161P in complex with GDP 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2023-01-05 公開日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Tumor related RhoA mutants interact with effectors in the GDP-bound state To Be Published
4NIF	Heterodimeric structure of ERK2 and RSK1 分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1, ... 著者 Gogl, G, Remenyi, A. 登録日 2013-11-06 公開日 2014-11-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural assembly of the signaling competent ERK2-RSK1 heterodimeric protein kinase complex Proc.Natl.Acad.Sci.USA, 112, 2015
7CKN	Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine 分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-07-17 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine at 1.55 Angstrom Resolution To Be Published
8FPW	Crystal structure of tumor related RhoA mutant A161V in complex with GDP 分子名称: 1,4-DIETHYLENE DIOXIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Lin, Y, Zheng, Y. 登録日 2023-01-05 公開日 2024-06-05 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Tumor related RhoA mutants interact with effectors in the GDP-bound state To Be Published
7MRO	Zebrafish CNTN4 FN1-FN3 domains 分子名称: Contactin-4 著者 Bouyain, S, Karuppan, S.J. 登録日 2021-05-07 公開日 2022-01-05 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Members of the vertebrate contactin and amyloid precursor protein families interact through a conserved interface. J.Biol.Chem., 298, 2021
7UF9	CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2022-03-22 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
6E5E	Crystal structure of the apo domain-swapped dimer Q108K:T51D mutant of human cellular retinol binding protein II 分子名称: ACETATE ION, Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2018-07-20 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.696 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
7COO	Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine 分子名称: (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CYCLOHEXYLAMMONIUM ION, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-04 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-Carboxybenzyl-L-Prolyl-L-Phenylalanine in complex with Cyclohexylamine at 1.49 Angstrom Resolution To Be Published
7MFZ	The Crystal Structure of Domain-Swapped Trimer Q108K:K40D:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with LizFluor3 Chromophore Showing Excited State Intermolecular Proton Transfer 分子名称: 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine, ACETATE ION, GLYCEROL, ... 著者 Ghanbarpour, A, Geiger, J. 登録日 2021-04-12 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase. J.Am.Chem.Soc., 143, 2021
7UFF	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide, PHOSPHATE ION, ... 著者 Sevrioukova, I.F. 登録日 2022-03-22 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
7CON	Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with n-Propylamine 分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, 3-AMINOPROPANE, Bifunctional cytochrome P450/NADPH--P450 reductase, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-04 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-{2-[4-(trifluoromethoxy)phenoxy]}acetoyl-L-phenylalanine in complex with n-propylamine at 1.46 Angstrom Resolution To Be Published
7UFD	Human CYP3A4 bound to an inhibitor 分子名称: (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE 著者 Sevrioukova, I.F. 登録日 2022-03-22 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
4NJT	Crystal structure of multidrug-resistant clinical isolate A02 HIV-1 protease in complex with darunavir 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease 著者 Yedidi, R.S, Garimella, H, Chang, S.B, Kaufman, J.D, Das, D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. 登録日 2013-11-11 公開日 2014-04-02 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 A Conserved Hydrogen-Bonding Network of P2 bis-Tetrahydrofuran-Containing HIV-1 Protease Inhibitors (PIs) with a Protease Active-Site Amino Acid Backbone Aids in Their Activity against PI-Resistant HIV. Antimicrob.Agents Chemother., 58, 2014
7CP8	Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine 分子名称: (2~{S})-2-(5-cyclohexylpentanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... 著者 Stanfield, J.K, Sugimoto, H, Shoji, O. 登録日 2020-08-06 公開日 2021-09-15 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure of the CYP102A1 Haem Domain with N-(5-Cyclohexyl)valeroyl-L-Phenylalanine in complex with (R)-1-Indanylamine at 1.68 Angstrom Resolution To Be Published
7UFE	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ... 著者 Sevrioukova, I.F. 登録日 2022-03-22 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
6E5Q	Crystal structure of the apo domain-swapped dimer Q108K:T51D:A28H mutant of human Cellular Retinol Binding Protein II 分子名称: ACETATE ION, Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2018-07-21 公開日 2019-10-16 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Engineering the hCRBPII Domain-Swapped Dimer into a New Class of Protein Switches. J.Am.Chem.Soc., 141, 2019
6E5T	Crystal structure of human cellular retinol binding protein 1 in complex with abnormal-cannabidiorcin (Abn-CBDO) 分子名称: (1'R,2'R)-5',6-dimethyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol, Retinol-binding protein 1 著者 Silvaroli, J.A, Horwitz, S, Banerjee, S, Kiser, P.D, Golczak, M. 登録日 2018-07-23 公開日 2019-02-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Abnormal Cannabidiol Modulates Vitamin A Metabolism by Acting as a Competitive Inhibitor of CRBP1. Acs Chem.Biol., 14, 2019
4NKV	Human steroidogenic cytochrome P450 17A1 mutant A105L with inhibitor abiraterone 分子名称: Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase 著者 Scott, E.E, Petrunak, E.M. 登録日 2013-11-13 公開日 2014-10-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.646 Å) 主引用文献 Structures of Human Steroidogenic Cytochrome P450 17A1 with Substrates. J.Biol.Chem., 289, 2014
5W5Q	MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide) 分子名称: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4 著者 Harris, S.F, Wu, P. 登録日 2017-06-15 公開日 2018-06-20 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1). Acs Med.Chem.Lett., 10, 2019
7UFA	CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I. 登録日 2022-03-22 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
7MFX	The Crystal Structure of Q108K:K40H:T53A:R58L:Q38F:Q4F Mutant of HCRBPII Bound with FR1 Chromophore Showing Excited State Intermolecular Proton Transfer 分子名称: (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine, GLYCEROL, Retinol-binding protein 2 著者 Ghanbarpour, A, Geiger, J. 登録日 2021-04-11 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase. J.Am.Chem.Soc., 143, 2021
6A17	Crystal structure of CYP90B1 in complex with brassinazole 分子名称: (2R,3S)-4-(4-chlorophenyl)-2-phenyl-3-(1H-1,2,4-triazol-1-yl)butan-2-ol, CHLORIDE ION, Cytochrome P450 90B1, ... 著者 Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S. 登録日 2018-06-06 公開日 2019-06-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Structural insights into a key step of brassinosteroid biosynthesis and its inhibition. Nat.Plants, 5, 2019
4NM0	Crystal structure of peptide inhibitor-free GSK-3/Axin complex 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... 著者 Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. 登録日 2013-11-14 公開日 2014-03-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6. Elife, 3, 2014
7MFY	The Crystal Structure of Q108K:K40L:T51V:T53S:R58W:Y19W:A33W:L117E Mutant of HCRBPII Bound with LizFluor 分子名称: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, GLYCEROL, ... 著者 Ghanbarpour, A, Geiger, J. 登録日 2021-04-12 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.26 Å) 主引用文献 Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase. J.Am.Chem.Soc., 143, 2021

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