7G9T
 
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z18618496 | | 分子名称: | 1,2-ETHANEDIOL, PHOSPHATE ION, Serine protease NS3, ... | | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-07-03 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7G9Y
 | | PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z2678251369 | | 分子名称: | 1,2-ETHANEDIOL, 2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Godoy, A.S, Noske, G.D, Fairhead, M, Lithgo, R.M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Marples, P.G, Ni, X, Tomlinson, C.W.E, Wild, C, Mesquita, N.C.M.R, Oliva, G, Fearon, D, Walsh, M.A, von Delft, F. | | 登録日 | 2023-07-03 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | PanDDA analysis group deposition
To Be Published
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7VL5
 | | The complex structure of beta-1,2-glucosyltransferase from Ignavibacterium album with n-octyl-beta-D-glucoside | | 分子名称: | Beta-galactosidase, CALCIUM ION, octyl beta-D-glucopyranoside | | 著者 | Kobayashi, K, Shimizu, H, Tanaka, N, Kuramochi, K, Nakai, H, Nakajima, M, Taguchi, H. | | 登録日 | 2021-10-01 | | 公開日 | 2022-03-09 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Characterization and structural analyses of a novel glycosyltransferase acting on the beta-1,2-glucosidic linkages.
J.Biol.Chem., 298, 2022
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7BG6
 | | HRV14 native particle solved by cryoEM | | 分子名称: | Genome polyprotein, RNA-octamer (5'-R(P*UP*GP*UP*UP*UP*UP*UP*A)-3') | | 著者 | Hrebik, D, Fuzik, T, Plevka, P. | | 登録日 | 2021-01-06 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | ICAM-1 induced rearrangements of capsid and genome prime rhinovirus 14 for activation and uncoating.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1AMT
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6F91
 | | Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. | | 登録日 | 2017-12-13 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
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7B36
 | | MST4 in complex with compound G-5555 | | 分子名称: | 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | | 著者 | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-28 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.10681081 Å) | | 主引用文献 | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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7VC1
 | | Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L95 and L-proline in space group P21 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Yogavel, M, Malhotra, N, Sharma, A. | | 登録日 | 2021-09-01 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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9FSU
 | | Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor 16 | | 分子名称: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-21 | | 公開日 | 2025-04-30 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
To Be Published
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5HVX
 | | Full length Wild-Type Open-form Sodium Channel NavMs | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, ... | | 著者 | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | | 登録日 | 2016-01-28 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
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6VEB
 | | Precorrin-2-bound S128A S. typhimurium siroheme synthase | | 分子名称: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Pennington, J.M, Stroupe, M.E. | | 登録日 | 2019-12-31 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
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6RGA
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complexe with an inhibitor | | 分子名称: | (2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]oxolane-3,4-diol, CITRIC ACID, NAD kinase 1 | | 著者 | Gelin, M, Labesse, G. | | 登録日 | 2019-04-16 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | From Substrate to Fragments to Inhibitor ActiveIn VivoagainstStaphylococcus aureus.
Acs Infect Dis., 6, 2020
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5O6H
 | | Human NMT1 in complex with myristoyl-CoA and inhibitor IMP-917 | | 分子名称: | 1-[5-[4-fluoranyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-2~{H}-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Brannigan, J.A, Wilkinson, A.J. | | 登録日 | 2017-06-06 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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6JBE
 | | Crystal structure of ABC transporter alpha-glycoside-binding mutant protein W287A in complex with glucose | | 分子名称: | 1,2-ETHANEDIOL, ABC transporter, periplasmic substrate-binding protein, ... | | 著者 | Kanaujia, S.P, Chandravanshi, M, Gogoi, P. | | 登録日 | 2019-01-25 | | 公開日 | 2019-10-30 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Febs J., 287, 2020
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7XUR
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7VC5
 | | Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor T35 and Febrifugine (FF) at 1.61 A resolution | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, ... | | 著者 | Manickam, Y, Malhotra, N, Sharma, A. | | 登録日 | 2021-09-01 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.612 Å) | | 主引用文献 | TgPRS with double inhibitors
To Be Published
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5NXC
 | | LIM Domain Kinase 1 (LIMK1) In Complex With PF-00477736 | | 分子名称: | (2~{R})-2-azanyl-2-cyclohexyl-~{N}-[2-(1-methylpyrazol-4-yl)-9-oxidanylidene-3,10,11-triazatricyclo[6.4.1.0^{4,13}]trideca-1,4,6,8(13),11-pentaen-6-yl]ethanamide, LIM domain kinase 1 | | 著者 | Mathea, S, Salah, E, Pike, A.C.W, Bushell, S, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | | 登録日 | 2017-05-10 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | LIM Domain Kinase (LIMK1) In Complex With PF-00477736
To Be Published
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1FU4
 | | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | | 分子名称: | GLYCOGEN PHOSPHORYLASE, N-[(5S,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2,4-dioxo-6-oxa-1,3-diazaspiro[4.5]dec-3-yl]acetamide, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | | 登録日 | 2000-09-14 | | 公開日 | 2000-10-04 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase.
Proteins, 61, 2005
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4PN1
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4PNM
 | | Crystal Structure of human Tankyrase 2 in complex with Nu1025. | | 分子名称: | 1,2-ETHANEDIOL, 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE, Tankyrase-2, ... | | 著者 | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | 登録日 | 2014-05-23 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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7B10
 | | Crystal structure of MLLT1 YEATS domain T1 mutant in complex with benzimidazole-amide based compound 1 | | 分子名称: | 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, IODIDE ION, ... | | 著者 | Chaikuad, A, Ni, X, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2020-11-23 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants.
Acs Chem.Biol., 16, 2021
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7SX3
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2 | | 分子名称: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | 登録日 | 2021-11-22 | | 公開日 | 2021-12-29 | | 最終更新日 | 2024-10-09 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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1FTW
 | | STRUCTURES OF GLYCOGEN PHOSPHORYLASE-INHIBITOR COMPLEXES AND THE IMPLICATIONS FOR STRUCTURE-BASED DRUG DESIGN | | 分子名称: | (5S,7R,8S,9S,10R)-3,8,9,10-tetrahydroxy-7-(hydroxymethyl)-6-oxa-1,3-diazaspiro[4.5]decane-2,4-dione, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Watson, K.A, Tsitsanou, K.E, Gregoriou, M, Zographos, S.E, Skamnaki, V.T, Oikonomakos, N.G, Fleet, G.W, Johnson, L.N. | | 登録日 | 2000-09-13 | | 公開日 | 2000-10-04 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Kinetic and crystallographic studies of glucopyranose spirohydantoin and glucopyranosylamine analogs inhibitors of glycogen phosphorylase.
Proteins, 61, 2005
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5O9V
 | | HsNMT1 in complex with CoA and Myristoylated-GGCFSKPK octapeptide | | 分子名称: | Apoptosis-inducing factor 3, CHLORIDE ION, COENZYME A, ... | | 著者 | Dian, C, Meinnel, T, Giglione, C. | | 登録日 | 2017-06-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.201 Å) | | 主引用文献 | Structural and genomic decoding of human and plant myristoylomes reveals a definitive recognition pattern.
Nat. Chem. Biol., 14, 2018
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6RML
 | | Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide | | 分子名称: | 53BP1, DNA topoisomerase 2-binding protein 1 | | 著者 | Day, M, Oliver, A.W, Pearl, L.H. | | 登録日 | 2019-05-07 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
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