7B2Q
 
 | | Cryo-EM structure of complement C4b in complex with nanobody B12 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-C4b nanobody B12, ... | | 著者 | Oosterheert, W, De la O Becerra, K.I, Gros, P. | | 登録日 | 2020-11-27 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-05-04 | | 実験手法 | ELECTRON MICROSCOPY (3.76 Å) | | 主引用文献 | Multifaceted Activities of Seven Nanobodies against Complement C4b.
J Immunol., 208, 2022
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7B2M
 | | Cryo-EM structure of complement C4b in complex with nanobody E3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-C4b nanobody E3, Complement C4 alpha chain, ... | | 著者 | Oosterheert, W, De la O Becerra, K.I, van den Bos, R.M, Gros, P. | | 登録日 | 2020-11-27 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-05-04 | | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | | 主引用文献 | Multifaceted Activities of Seven Nanobodies against Complement C4b.
J Immunol., 208, 2022
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6PUK
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-JYM72 | | 分子名称: | 1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol, ACETATE ION, Beta-2-microglobulin, ... | | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6ZRX
 | | Crystal structure of 6-dimethylallyltryptophan synthase from Micromonospora olivasterospora in complex with DMASPP and Trp | | 分子名称: | DI(HYDROXYETHYL)ETHER, DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, ... | | 著者 | Ostertag, E, Stehle, T, Zocher, G. | | 登録日 | 2020-07-15 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
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6ZRZ
 | | Crystal structure of 5-dimethylallyl tryptophan synthase from Streptomyces coelicolor in complex with DMASPP and Trp | | 分子名称: | DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, TRYPTOPHAN | | 著者 | Ostertag, E, Broger, K, Stehle, T, Zocher, G. | | 登録日 | 2020-07-15 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.696 Å) | | 主引用文献 | Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
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5IKH
 | | Tobacco 5-epi-aristolochene synthase M4 mutant with (-)-premnaspirodiene | | 分子名称: | (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene, 5-epi-aristolochene synthase, MAGNESIUM ION | | 著者 | Koo, H.J, O'Maille, P.E, Louie, G.V, Bowman, M, Noel, J.P. | | 登録日 | 2016-03-03 | | 公開日 | 2016-10-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
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6PZ4
 | | co-crystal structure of BACE with inhibitor AM-6494 | | 分子名称: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | | 著者 | Huang, X. | | 登録日 | 2019-07-31 | | 公開日 | 2019-10-23 | | 最終更新日 | 2020-03-25 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.
J.Med.Chem., 63, 2020
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6QA7
 | | Glycogen Phosphorylase b in complex with 29 | | 分子名称: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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6QA6
 | | Glycogen Phosphorylase b in complex with 30 | | 分子名称: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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6PWL
 | | ADC-7 in complex with boronic acid transition state inhibitor LP06 | | 分子名称: | (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid, Beta-lactamase, GLYCINE | | 著者 | Curtis, B.C, Powers, R.A, Wallar, B.J. | | 登録日 | 2019-07-23 | | 公開日 | 2020-10-21 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog.
Antimicrob.Agents Chemother., 64, 2020
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6PUH
 | | Structure of human MAIT A-F7 TCR in complex with human MR1-Ribityl-less | | 分子名称: | 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione, Beta-2-microglobulin, Human TCR alpha chain, ... | | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | | 登録日 | 2019-07-18 | | 公開日 | 2020-02-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens.
Nat.Immunol., 21, 2020
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6QA8
 | | Glycogen Phosphorylase b in complex with 28 | | 分子名称: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | | 著者 | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2019-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
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5JO2
 | | Crystal structure of abscisic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1 | | 分子名称: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3, MAGNESIUM ION, ... | | 著者 | Weng, J.K, Noel, J.P. | | 登録日 | 2016-05-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | | 主引用文献 | Co-evolution of Hormone Metabolism and Signaling Networks Expands Plant Adaptive Plasticity.
Cell, 166, 2016
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5J7Z
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7BU0
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5KSI
 | | Crystal structure of deoxygenated hemoglobin in complex with sphingosine phosphate and 2,3-Bisphosphoglycerate | | 分子名称: | (2R)-2,3-diphosphoglyceric acid, (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, ... | | 著者 | Ahmed, M.H, Safo, M.K, Xia, Y. | | 登録日 | 2016-07-08 | | 公開日 | 2017-07-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
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5JQS
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5KWY
 | | Structure of human NPC1 middle lumenal domain bound to NPC2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLEST-5-EN-3-YL HYDROGEN SULFATE, Epididymal secretory protein E1, ... | | 著者 | Li, X. | | 登録日 | 2016-07-19 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | | 主引用文献 | Clues to the mechanism of cholesterol transfer from the structure of NPC1 middle lumenal domain bound to NPC2.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5KV9
 | | Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex | | 分子名称: | 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M. | | 登録日 | 2016-07-13 | | 公開日 | 2017-07-12 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
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5J6F
 | | Crystal structure of DAH7PS-CM complex from Geobacillus sp. with prephenate | | 分子名称: | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, chorismate mutase-isozyme 3, MANGANESE (II) ION, ... | | 著者 | Nazmi, A.R, Othman, M, Lang, E.J.M, Bai, Y, Allison, T.M, Panjkar, S, Arcus, V.L, Parker, E.J. | | 登録日 | 2016-04-04 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate.
J. Biol. Chem., 291, 2016
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5J9Z
 | | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | | 分子名称: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one, Epidermal growth factor receptor | | 著者 | Becker, C, Engel, J, Rauh, D. | | 登録日 | 2016-04-11 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Insight into the Inhibition of Drug-Resistant Mutants of the Receptor Tyrosine Kinase EGFR.
Angew.Chem.Int.Ed.Engl., 55, 2016
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5LCJ
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8OUO
 | | Human TPC2 in Complex with Antagonist (S)-SG-094 | | 分子名称: | (1S)-6-methoxy-2-methyl-7-phenoxy-1-[(4-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline, 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, ... | | 著者 | Chi, G, Pike, A.C.W, Maclean, E.M, Li, H, Mukhopadhyay, S.M.M, Bohstedt, T, Wang, D, McKinley, G, Fernandez-Cid, A, Duerr, K. | | 登録日 | 2023-04-24 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-08-21 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structural basis for inhibition of the lysosomal two-pore channel TPC2 by a small molecule antagonist.
Structure, 32, 2024
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3SP9
 | | Structural basis for iloprost as a dual PPARalpha/delta agonist | | 分子名称: | (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]hexahydropentalen-2(1H)-ylidene]pentanoic acid, Peroxisome proliferator-activated receptor delta | | 著者 | Rong, H, Li, Y. | | 登録日 | 2011-07-01 | | 公開日 | 2011-07-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for iloprost as a dual peroxisome proliferator-activated receptor alpha/delta agonist.
J.Biol.Chem., 286, 2011
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8PAR
 | | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | | 分子名称: | GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | | 著者 | Schaefer, M. | | 登録日 | 2023-06-08 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
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