7W9P
 
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV pi helix conformer) | | 分子名称: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
|
|
7W9M
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (S6IV pi helix conformer) | | 分子名称: | (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
|
|
7W9L
 | | Cryo-EM structure of human Nav1.7(E406K)-beta1-beta2 complex | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P, Shen, H. | | 登録日 | 2021-12-10 | | 公開日 | 2022-06-01 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
|
|
4Y64
 | | AAGlyB in complex with amino-acid analogues | | 分子名称: | 5'-(D-alanylamino)-5'-deoxyuridine, Histo-blood group ABO system transferase, octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | 著者 | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | 登録日 | 2015-02-12 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
|
|
7W9T
 | | Cryo-EM structure of human Nav1.7(E406K) in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (S6IV alpha helix conformer) | | 分子名称: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | 著者 | Yan, N, Huang, G, Liu, D, Wei, P. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-25 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | High-resolution structures of human Na v 1.7 reveal gating modulation through alpha-pi helical transition of S6 IV.
Cell Rep, 39, 2022
|
|
7LLI
 | | Stimulatory immune receptor protein complex | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | 著者 | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | | 登録日 | 2021-02-04 | | 公開日 | 2021-11-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5D00
 | | Crystal structure of BshA from B. subtilis complexed with N-acetylglucosaminyl-malate and UMP | | 分子名称: | (2S)-2-{[2-acetamido-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid, N-acetyl-alpha-D-glucosaminyl L-malate synthase, PHOSPHATE ION, ... | | 著者 | Cook, P.D, Winchell, K.R. | | 登録日 | 2015-08-01 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | A Structural, Functional, and Computational Analysis of BshA, the First Enzyme in the Bacillithiol Biosynthesis Pathway.
Biochemistry, 55, 2016
|
|
5NB6
 | | Complement factor D in complex with the inhibitor (2S,4S)-4-Amino-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | | 分子名称: | (2~{S},4~{S})-~{N}1-(1-aminocarbonylindol-3-yl)-4-azanyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | | 著者 | Mac Sweeney, A, Ostermann, N. | | 登録日 | 2017-03-01 | | 公開日 | 2017-06-28 | | 最終更新日 | 2017-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
|
|
5W0P
 | | Crystal structure of rhodopsin bound to visual arrestin determined by X-ray free electron laser | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolysin,Rhodopsin,S-arrestin | | 著者 | Zhou, X.E, He, Y, de Waal, P.W, Gao, X, Kang, Y, Van Eps, N, Yin, Y, Pal, K, Goswami, D, White, T.A, Barty, A, Latorraca, N.R, Chapman, H.N, Hubbell, W.L, Dror, R.O, Stevens, R.C, Cherezov, V, Gurevich, V.V, Griffin, P.R, Ernst, O.P, Melcher, K, Xu, H.E. | | 登録日 | 2017-05-31 | | 公開日 | 2017-08-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (3.013 Å) | | 主引用文献 | Identification of Phosphorylation Codes for Arrestin Recruitment by G Protein-Coupled Receptors.
Cell, 170, 2017
|
|
8EQ9
 | | Co-crystal structure of PERK with compound 11 | | 分子名称: | (2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | | 著者 | Zhu, G, Surman, M.D, Mulvihill, M.J. | | 登録日 | 2022-10-07 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
|
|
8JAK
 | | Human MCC in MCCU state | | 分子名称: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial, ... | | 著者 | Liu, D.S, Su, J.Y, Tian, X.Y. | | 登録日 | 2023-05-06 | | 公開日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (2.52 Å) | | 主引用文献 | Human MCC in BCCP-BCS state
To Be Published
|
|
8JAW
 | | Human MCC in MCCD state | | 分子名称: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, Methylcrotonoyl-CoA carboxylase beta chain, mitochondrial, ... | | 著者 | Liu, D.S, Su, J.Y, Tian, X.Y. | | 登録日 | 2023-05-07 | | 公開日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (2.51 Å) | | 主引用文献 | Human MCC in BCCP-CTS state
To Be Published
|
|
4WMD
 | | Crystal structure of catalytically inactive MERS-CoV 3CL protease (C148A) in spacegroup C2221 | | 分子名称: | DI(HYDROXYETHYL)ETHER, ORF1a, PENTAETHYLENE GLYCOL, ... | | 著者 | Lountos, G.T, Needle, D, Waugh, D.S. | | 登録日 | 2014-10-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.585 Å) | | 主引用文献 | Structures of the Middle East respiratory syndrome coronavirus 3C-like protease reveal insights into substrate specificity.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
4WT7
 | | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol | | 分子名称: | ABC transporter substrate binding protein (Ribose), CHLORIDE ION, D-allitol | | 著者 | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-10-29 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of an ABC transporter solute binding protein (IPR025997) from Agrobacterium vitis (Avi_5165, Target EFI-511223) with bound allitol
To be published
|
|
2Y64
 | | Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase | | 分子名称: | CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | | 著者 | von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M. | | 登録日 | 2011-01-19 | | 公開日 | 2012-03-07 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
|
|
6IC6
 | | Human cathepsin-C in complex with cyclopropyl peptidyl nitrile inhibitor 1 | | 分子名称: | (2~{S})-~{N}-[(1~{R},2~{R})-1-(aminomethyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropyl]-2-azanyl-butanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | 登録日 | 2018-12-02 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
|
|
8PN8
 | | Engineered glycolyl-CoA carboxylase (L100N variant) with bound CoA | | 分子名称: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | | 著者 | Zarzycki, J, Marchal, D.G, Schulz, L, Prinz, S, Erb, T.J. | | 登録日 | 2023-06-30 | | 公開日 | 2023-11-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | ELECTRON MICROSCOPY (2.31 Å) | | 主引用文献 | Machine Learning-Supported Enzyme Engineering toward Improved CO 2 -Fixation of Glycolyl-CoA Carboxylase.
Acs Synth Biol, 12, 2023
|
|
6I36
 | | SIXTY MINUTES IRON LOADED FROG M FERRITIN | | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin, ... | | 著者 | Mangani, S, Di Pisa, F, Pozzi, C, Turano, P, Lalli, D. | | 登録日 | 2018-11-05 | | 公開日 | 2018-12-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Time-Lapse Anomalous X-Ray Diffraction Shows How Fe(2+) Substrate Ions Move Through Ferritin Protein Nanocages To Oxidoreductase Sites.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
2XQJ
 | | X-ray Structure of human butyrylcholinesterase inhibited by pure enantiomer VX-(R) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | | 登録日 | 2010-09-02 | | 公開日 | 2011-03-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
|
|
2XQG
 | | X-ray Structure of human butyrylcholinesterase inhibited by racemic VR | | 分子名称: | 2-METHYLPROPYL HYDROGEN (R)-METHYLPHOSPHONATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wandhammer, M, Carletti, E, Gillon, E, Masson, P, Goeldner, M, Noort, D, Nachon, F. | | 登録日 | 2010-09-02 | | 公開日 | 2011-03-23 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Study of the Complex Stereoselectivity of Human Butyrylcholinesterase for the Neurotoxic V-Agents.
J.Biol.Chem., 286, 2011
|
|
6TA0
 | | Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | | 分子名称: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, NICOTINIC ACID, ... | | 著者 | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | | 登録日 | 2019-10-29 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
|
|
3KJM
 | |
4RZC
 | | Fv M6P-1 in complex with mannose-6-phosphate | | 分子名称: | 6-O-phosphono-alpha-D-mannopyranose, Fv M6P-1 heavy chain, Fv M6P-1 light chain, ... | | 著者 | Blackler, R.J, Evans, D.W, Evans, S.V, Muller-Loennies, S. | | 登録日 | 2014-12-19 | | 公開日 | 2015-11-04 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.723 Å) | | 主引用文献 | Single-chain antibody-fragment M6P-1 possesses a mannose 6-phosphate monosaccharide-specific binding pocket that distinguishes N-glycan phosphorylation in a branch-specific manner.
Glycobiology, 26, 2016
|
|
3KM9
 | | Structure of complement C5 in complex with the C-terminal beta-grasp domain of SSL7 | | 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, CADMIUM ION, ... | | 著者 | Laursen, N.S, Gordon, N, Hermans, S, Lorenz, N, Jackson, N, Wines, B, Spillner, E, Christensen, J.B, Jensen, M, Fredslund, F, Bjerre, M, Sottrup-Jensen, L, Fraser, J.D, Andersen, G.R. | | 登録日 | 2009-11-10 | | 公開日 | 2009-12-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (4.2 Å) | | 主引用文献 | Structural basis for inhibition of complement C5 by the SSL7 protein from Staphylococcus aureus
Proc.Natl.Acad.Sci.USA, 107, 2010
|
|
6UI0
 | | Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases | | 分子名称: | ACETATE ION, Streptavidin, {N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+) | | 著者 | Miller, K.R, Paretsky, J.D, Follmer, A.H, Heinisch, T, Mittra, K, Gul, S, Kim, I.-S, Fuller, F.D, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bhowmick, A, Sauter, N.K, Kern, J, Yano, J, Green, M.T, Ward, T.R, Borovik, A.S. | | 登録日 | 2019-09-29 | | 公開日 | 2020-05-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Artificial Iron Proteins: Modeling the Active Sites in Non-Heme Dioxygenases.
Inorg.Chem., 59, 2020
|
|
