6IBF
| Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417 | 分子名称: | (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Singh, A.K, Brown, D.G. | 登録日 | 2018-11-29 | 公開日 | 2019-12-18 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | hPDE4D2 structure with inhibitor NPD-417 To be published
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6FWP
| Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | 分子名称: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | 著者 | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | 登録日 | 2018-03-06 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | An Epoxide Intermediate in Glycosidase Catalysis. Acs Cent.Sci., 6, 2020
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7S2P
| Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN | 分子名称: | 2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose, Glucokinase 1, SULFATE ION | 著者 | Carey, S.M, Nettles, R.B, Daneshian, L, Chruszcz, M, D'Antonio, E.L. | 登録日 | 2021-09-03 | 公開日 | 2021-10-06 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structure of the F337L mutation of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN To Be Published
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8PAB
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6GL0
| Structure of ZgEngAGH5_4 in complex with a cellotriose | 分子名称: | Endoglucanase, family GH5, MAGNESIUM ION, ... | 著者 | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | 登録日 | 2018-05-22 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis. Biochem. J., 475, 2018
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8T1E
| Closed-state cryo-EM structure of full-length human TRPV4 in the presence of 4a-PDD | 分子名称: | (2R)-2-{[(4-O-hexopyranosyl-beta-D-glucopyranosyl)oxy]methyl}-4-{[(25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, SODIUM ION, Transient receptor potential cation channel subfamily V member 4,Enhanced green fluorescent protein, ... | 著者 | Talyzina, I.A, Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I. | 登録日 | 2023-06-02 | 公開日 | 2023-07-05 | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | 主引用文献 | Structure of human TRPV4 in complex with GTPase RhoA. Nat Commun, 14, 2023
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8K0E
| Human collagen prolyl processing enzyme complex, P3H1/CRTAP heterodimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, FE (III) ION, ... | 著者 | Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y. | 登録日 | 2023-07-08 | 公開日 | 2024-09-18 | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | 主引用文献 | The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex. Nat Commun, 15, 2024
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6CW9
| Structure of alpha-GC[8,16P] bound by CD1d and in complex with the Va14Vb8.2 TCR | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Wang, J, Zajonc, D. | 登録日 | 2018-03-30 | 公開日 | 2019-04-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides. J.Biol.Chem., 294, 2019
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5IH7
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8EE5
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8CEP
| Kasugamycin bound to the 30S body | 分子名称: | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE, 16S rRNA, 23S rRNA, ... | 著者 | Paternoga, H, Beckert, B, Wilson, D.N. | 登録日 | 2023-02-02 | 公開日 | 2023-07-19 | 最終更新日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (2.04 Å) | 主引用文献 | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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8CCI
| Crystal structure of Mycobacterium smegmatis thioredoxin reductase | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Fuesser, F.T, Koch, O, Kuemmel, D. | 登録日 | 2023-01-27 | 公開日 | 2023-07-26 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | 主引用文献 | Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening. Acta Crystallogr D Struct Biol, 79, 2023
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8GER
| E. eligens beta-glucuronidase bound to norquetiapine-glucuronide | 分子名称: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine, Beta-glucuronidase | 著者 | Simpson, J.B, Lietzan, A.D, Redinbo, M.R. | 登録日 | 2023-03-07 | 公開日 | 2024-03-20 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Gut microbial beta-glucuronidases influence endobiotic homeostasis and are modulated by diverse therapeutics. Cell Host Microbe, 32, 2024
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6ZI8
| X-ray diffraction structure of bovine insulin at 2.3 A resolution | 分子名称: | CHLORIDE ION, Insulin, ZINC ION | 著者 | Housset, D, Ling, W.L, Bacia-Verloop, M, Zander, U, McCarthy, A.A, Schoehn, G. | 登録日 | 2020-06-25 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Statistically correcting dynamical electron scattering improves the refinement of protein nanocrystals, including charge refinement of coordinated metals. Acta Crystallogr D Struct Biol, 77, 2021
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8P1F
| X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-1-phenyl-piperidine-4-carboxylic acid, Acetylcholine-binding protein | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2023-05-12 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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8P1E
| X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001613. | 分子名称: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | 著者 | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | 登録日 | 2023-05-11 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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6DHE
| RT XFEL structure of the dark-stable state of Photosystem II (0F, S1-rich) at 2.05 Angstrom resolution | 分子名称: | (6'R,11cis,11'cis,13cis,15cis)-4',5'-didehydro-5',6'-dihydro-beta,beta-carotene, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | 登録日 | 2018-05-20 | 公開日 | 2018-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock. Nature, 563, 2018
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8TGD
| STX-478, a Mutant-Selective, Allosteric Inhibitor bound to H1047R PI3Kalpha | 分子名称: | 1,2-ETHANEDIOL, N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, ... | 著者 | Hilbert, B, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | 登録日 | 2023-07-12 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.928 Å) | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8TDU
| STX-478, a Mutant-Selective, Allosteric Inhibitor bound to PI3Kalpha | 分子名称: | N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, ... | 著者 | Hilbert, B.J, Brooijmans, N, Buckbinder, L, St.Jean Jr, D.J. | 登録日 | 2023-07-05 | 公開日 | 2023-09-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | STX-478, a Mutant-Selective, Allosteric PI3K alpha Inhibitor Spares Metabolic Dysfunction and Improves Therapeutic Response in PI3K alpha-Mutant Xenografts. Cancer Discov, 13, 2023
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8T6V
| Cryo-EM structure of human Anion Exchanger 1 bound to 4,4'-Diisothiocyanatostilbene-2,2'-Disulfonic Acid (DIDS) | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid, ... | 著者 | Capper, M.J, Zilberg, G, Mathiharan, Y.K, Yang, S, Stone, A.C, Wacker, D. | 登録日 | 2023-06-18 | 公開日 | 2023-09-13 | 最終更新日 | 2023-11-01 | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | 主引用文献 | Substrate binding and inhibition of the anion exchanger 1 transporter. Nat.Struct.Mol.Biol., 30, 2023
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8Q1T
| X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739 | 分子名称: | 1,10-PHENANTHROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine-binding protein, ... | 著者 | Cederfelt, D, Lund, B.A, Boronat, P, Hennig, S, Dobritzsch, D, Danielson, U.H. | 登録日 | 2023-08-01 | 公開日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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7TXZ
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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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7TV9
| HUMAN COMPLEMENT COMPONENT C3B IN COMPLEX WITH APL-1030 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, APL-1030 Nanofitin, Complement C3 beta chain, ... | 著者 | Fontano, E, Nadupalli, A, Lakshminarasimhan, D, White, A, Garlish, J, Cinier, M, Chevrel, A, Perrocheau, A, Eyerman, D, Orme, M, Kitten, O, Scheibler, L. | 登録日 | 2022-02-04 | 公開日 | 2022-03-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Discovery of APL-1030, a Novel, High-Affinity Nanofitin Inhibitor of C3-Mediated Complement Activation. Biomolecules, 12, 2022
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8D4Q
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