7TD3
 
 | | Sphingosine-1-phosphate receptor 1-Gi complex bound to S1P | | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Liu, S, Paknejad, N, Zhu, L, Kihara, Y, Ray, D, Chun, J, Liu, W, Hite, R.K, Huang, X.Y. | | 登録日 | 2021-12-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Differential activation mechanisms of lipid GPCRs by lysophosphatidic acid and sphingosine 1-phosphate.
Nat Commun, 13, 2022
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7T5Y
 | | E. coli dihydroorotate dehydrogenase bound to the inhibitor HMNQ | | 分子名称: | 3-methyl-2-[(2E)-non-2-en-1-yl]quinolin-4(1H)-one, Dihydroorotate dehydrogenase (quinone), FLAVIN MONONUCLEOTIDE, ... | | 著者 | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | 登録日 | 2021-12-13 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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2IPG
 | | Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone | | 分子名称: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, 3(17)alpha-hydroxysteroid dehydrogenase, ... | | 著者 | Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Lemieux, M, Luu-the, V, Labrie, F, Breton, R. | | 登録日 | 2006-10-12 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
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7T6B
 | | Structure of S1PR2-heterotrimeric G13 signaling complex | | 分子名称: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | 著者 | Li, X, Chen, H. | | 登録日 | 2021-12-13 | | 公開日 | 2022-04-06 | | 最終更新日 | 2022-06-29 | | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | | 主引用文献 | Structure of S1PR2-heterotrimeric G 13 signaling complex.
Sci Adv, 8, 2022
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2IVF
 | | Ethylbenzene dehydrogenase from Aromatoleum aromaticum | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ... | | 著者 | Kloer, D.P, Hagel, C, Heider, J, Schulz, G.E. | | 登録日 | 2006-06-13 | | 公開日 | 2006-09-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Crystal Structure of Ethylbenzene Dehydrogenase from Aromatoleum Aromaticum
Structure, 14, 2006
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2IPJ
 | | Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone | | 分子名称: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C2, ... | | 著者 | Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Luu-the, V, Labrie, F, Breton, R. | | 登録日 | 2006-10-12 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
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2IPF
 | | Crystal structure of 17alpha-hydroxysteroid dehydrogenase in complex with NADP+ and epi-testosterone | | 分子名称: | (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, (3(17)alpha-hydroxysteroid dehydrogenase), 1,2-ETHANEDIOL, ... | | 著者 | Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Luu-the, V, Labrie, F, Breton, R. | | 登録日 | 2006-10-12 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
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7SNU
 | | Crystal structure of ShHTL7 from Striga hermonthica in complex with strigolactone antagonist RG6 | | 分子名称: | 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol, ACETATE ION, GLYCEROL, ... | | 著者 | Arellano-Saab, A, Stogios, P.J, Skarina, T, Yim, V, Savchenko, A, McCourt, P. | | 登録日 | 2021-10-28 | | 公開日 | 2022-07-06 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | A novel strigolactone receptor antagonist provides insights into the structural inhibition, conditioning, and germination of the crop parasite Striga.
J.Biol.Chem., 298, 2022
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3M08
 | | Wild Type Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 | | 分子名称: | 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | | 著者 | Bourne, C.R, Barrow, W.W. | | 登録日 | 2010-03-02 | | 公開日 | 2010-07-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.014 Å) | | 主引用文献 | Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1.
Antimicrob.Agents Chemother., 54, 2010
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4UAC
 | | EUR_01830 with acarbose | | 分子名称: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Carbohydrate ABC transporter substrate-binding protein, ... | | 著者 | Koropatkin, N.M, Orlovsky, N.I. | | 登録日 | 2014-08-08 | | 公開日 | 2014-12-10 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Molecular details of a starch utilization pathway in the human gut symbiont Eubacterium rectale.
Mol.Microbiol., 95, 2015
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3M09
 | | F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1 | | 分子名称: | 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ... | | 著者 | Bourne, C.R, Barrow, W.W. | | 登録日 | 2010-03-02 | | 公開日 | 2010-07-14 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.009 Å) | | 主引用文献 | Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1.
Antimicrob.Agents Chemother., 54, 2010
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1LHV
 | | CRYSTAL STRUCTURE OF THE N-TERMINAL LG-DOMAIN OF SHBG IN COMPLEX WITH NORGESTREL | | 分子名称: | 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE, CALCIUM ION, ISOPROPYL ALCOHOL, ... | | 著者 | Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Catalano, M.G, Muller, Y.A. | | 登録日 | 2002-04-17 | | 公開日 | 2002-10-23 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Steroid Ligands Bind Human Sex Hormone-binding Globulin in Specific Orientations and Produce Distinct Changes in Protein Conformation
J.Biol.Chem., 277, 2002
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1DZN
 | | Asp170Ser mutant of vanillyl-alcohol oxidase | | 分子名称: | 2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol, FLAVIN-ADENINE DINUCLEOTIDE, VANILLYL-ALCOHOL OXIDASE | | 著者 | Van Den heuvel, R.H.H, Fraaije, M.W, Van Berkel, W.J.H, Mattevi, A. | | 登録日 | 2000-03-05 | | 公開日 | 2000-03-07 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Asp170 is Crucial for the Redox Properties of Vanillyl-Alcohol Oxidase
J.Biol.Chem., 275, 2000
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1O6H
 | | Squalene-Hopene Cyclase | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-6-YL]OXY}HEXYL)-N-METHYLPROP-2-EN-1-AMINE, SQUALENE--HOPENE CYCLASE | | 著者 | Lenhart, A, Reinert, D.J, Weihofen, W.A, Aebi, J.D, Dehmlow, H, Morand, O.H, Schulz, G.E. | | 登録日 | 2002-10-03 | | 公開日 | 2003-10-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Binding Structures and Potencies of Oxidosqualene Cyclase Inhibitors with the Homologous Squalene-Hopene Cyclase
J.Med.Chem., 46, 2003
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6INI
 | | a glycosyltransferase complex with UDP and the product | | 分子名称: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, 1-O-[(8alpha,9beta,10alpha,13alpha)-13-(beta-D-glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Zhu, X, Yang, T, Naismith, J.H. | | 登録日 | 2018-10-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Hydrophobic recognition allows the glycosyltransferase UGT76G1 to catalyze its substrate in two orientations.
Nat Commun, 10, 2019
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2R40
 | | Crystal structure of 20E bound EcR/USP | | 分子名称: | (2beta,3beta,5beta,22R)-2,3,14,20,22,25-hexahydroxycholest-7-en-6-one, CITRATE ANION, Ecdysone Receptor, ... | | 著者 | Moras, D, Billas, I.M.L, Browning, C. | | 登録日 | 2007-08-30 | | 公開日 | 2007-10-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.402 Å) | | 主引用文献 | Critical Role of Desolvation in the Binding of 20-Hydroxyecdysone to the Ecdysone Receptor
J.Biol.Chem., 282, 2007
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7KOZ
 | | CD1a-36:2 SM binary complex | | 分子名称: | (4S,7S,17Z)-4-hydroxy-7-[(1S,2E)-1-hydroxyhexadec-2-en-1-yl]-N,N,N-trimethyl-4,9-dioxo-3,5-dioxa-8-aza-4lambda~5~-phosphahexacos-17-en-1-aminium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wegrecki, M, Le Nours, J, Rossjohn, J. | | 登録日 | 2020-11-10 | | 公開日 | 2021-05-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | CD1a selectively captures endogenous cellular lipids that broadly block T cell response.
J.Exp.Med., 218, 2021
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8XKL
 | | Structure of ACPII-CCPII from cryptophyte algae | | 分子名称: | (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ... | | 著者 | Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y. | | 登録日 | 2023-12-23 | | 公開日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (2.84 Å) | | 主引用文献 | Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Nat Commun, 15, 2024
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7LKX
 | | 1.60 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3e | | 分子名称: | (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
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7LKV
 | | 1.55 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c | | 分子名称: | (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 1,2-ETHANEDIOL, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
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7LKW
 | | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3d (deuterated analog of inhibitor 3c) | | 分子名称: | (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid, 3C-like proteinase, ... | | 著者 | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Rathnayake, A.D, Nguyen, H.N, Baird, M.A, Kim, Y, Shadipeni, N, Chang, K.O, Groutas, W.C. | | 登録日 | 2021-02-02 | | 公開日 | 2021-02-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-Guided Design of Conformationally Constrained Cyclohexane Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3CL Protease.
J.Med.Chem., 64, 2021
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7LXL
 | | Crystal structure of human CYP3A4 bound to the testosterone dimer | | 分子名称: | 17alpha-hydroxy-7alpha-[(2Z)-4-(17beta-hydroxy-3-oxo-8alpha-androst-4-en-7beta-yl)but-2-en-1-yl]-8alpha,10alpha,13alpha,14beta-androst-4-en-3-one, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sevrioukova, I.F. | | 登録日 | 2021-03-04 | | 公開日 | 2021-04-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Innovative C 2 -symmetric testosterone and androstenedione dimers: Design, synthesis, biological evaluation on prostate cancer cell lines and binding study to recombinant CYP3A4.
Eur.J.Med.Chem., 220, 2021
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8I4C
 | | Cryo-EM structure of U46619-bound ABCC4 | | 分子名称: | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, ATP-binding cassette sub-family C member 4 | | 著者 | Chen, Y, Wang, L, Hou, W.T, Zhou, C.Z, Chen, Y, Li, Q. | | 登録日 | 2023-01-19 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (3.08 Å) | | 主引用文献 | Cryo-EM structure ofABCC4
Nat Cardiovasc Res, 2023
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8HW4
 | | Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs | | 分子名称: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3 | | 著者 | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | | 登録日 | 2022-12-28 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
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3OFU
 | | Crystal Structure of Cytochrome P450 CYP101C1 | | 分子名称: | (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Zhou, W, Ma, M, Bell, S.G, Yang, W, Hao, Y, Rees, N.H, Bartlam, M, Wong, L.-L, Rao, Z. | | 登録日 | 2010-08-16 | | 公開日 | 2011-05-04 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Analysis of CYP101C1 from Novosphingobium aromaticivorans DSM12444.
Chembiochem, 12, 2011
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