6T5O
 
 | | Bacteroides salyersiae GH164 beta-mannosidase | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, D(-)-TARTARIC ACID, ... | | 著者 | Armstrong, Z, Davies, G. | | 登録日 | 2019-10-16 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | Structure and function ofBs164 beta-mannosidase fromBacteroides salyersiaethe founding member of glycoside hydrolase family GH164.
J.Biol.Chem., 295, 2020
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8EEW
 | | CryoEM of the soluble OPA1 dimer from the GDP-AlFx bound helical assembly on a lipid membrane | | 分子名称: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | | 登録日 | 2022-09-07 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (5.48 Å) | | 主引用文献 | OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
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6BXY
 | | Menin in complex with MI-1481 | | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | | 著者 | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | | 登録日 | 2017-12-19 | | 公開日 | 2018-11-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction.
J.Med.Chem., 61, 2018
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8EFR
 | | CryoEM of the soluble OPA1 interfaces with GDP-AlFx bound from the helical assembly on a lipid membrane | | 分子名称: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | | 登録日 | 2022-09-09 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-09-13 | | 実験手法 | ELECTRON MICROSCOPY (5.48 Å) | | 主引用文献 | OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
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5JRQ
 | | BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM | | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, ... | | 著者 | Grasso, M.J, Marmorstein, R. | | 登録日 | 2016-05-06 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.287 Å) | | 主引用文献 | Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.
Acs Chem.Biol., 11, 2016
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4H01
 | | The crystal structure of di-Zn dihydropyrimidinase from Tetraodon nigroviridis | | 分子名称: | ZINC ION, dihydropyrimidinase | | 著者 | Hsieh, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J. | | 登録日 | 2012-09-06 | | 公開日 | 2013-09-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Lysine Carboxylation: Metal and Structural Requirements for Post-translational Modification
To be Published
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6HPU
 | | Crystal structure of human Pif1 helicase in complex with ADP-AlF4 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, MAGNESIUM ION, ... | | 著者 | Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A. | | 登録日 | 2018-09-21 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.96 Å) | | 主引用文献 | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
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6TER
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | 登録日 | 2019-11-12 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
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6HRN
 | | C-Phycocyanin from heterocyst forming filamentous cyanobacterium Nostoc sp. WR13 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha Subunit of Cyanobacterial Phycocyanin protein, Beta Subunit of Cyanobacterial Phycocyanin protein, ... | | 著者 | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | | 登録日 | 2018-09-27 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.513 Å) | | 主引用文献 | Crystal structure of phycocyanin from heterocyst-forming filamentous cyanobacterium Nostoc sp. WR13.
Int.J.Biol.Macromol., 135, 2019
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6WN2
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6TIV
 | | Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ... | | 著者 | Rudraraju, R, Schnell, R, Schneider, G. | | 登録日 | 2019-11-22 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
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6WM6
 | | Periplasmic EDTA-binding protein EppA, tetragonal | | 分子名称: | 1,2-ETHANEDIOL, Extracellular solute-binding protein, family 5, ... | | 著者 | Lewis, K.M, Sattler, S.A, Greene, C.L, Xun, L, Kang, C. | | 登録日 | 2020-04-20 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | The Structural Basis of the Binding of Various Aminopolycarboxylates by the Periplasmic EDTA-Binding Protein EppA from Chelativorans sp. BNC1.
Int J Mol Sci, 21, 2020
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6HEG
 | | Crystal structure of Escherichia coli DEAH/RHA helicase HrpB | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase HrpB, PHOSPHATE ION, ... | | 著者 | Xin, B.G, Chen, W.F, Rety, S, Dai, Y.X, Xi, X.G. | | 登録日 | 2018-08-20 | | 公開日 | 2018-09-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.019 Å) | | 主引用文献 | Crystal structure of Escherichia coli DEAH/RHA helicase HrpB.
Biochem. Biophys. Res. Commun., 504, 2018
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8F46
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | | 分子名称: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | | 著者 | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2022-11-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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5L88
 | | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model | | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ... | | 著者 | Rupp, B, Naschberger, A. | | 登録日 | 2016-06-07 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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5L9D
 | | AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Rupp, B, Naschberger, A. | | 登録日 | 2016-06-10 | | 公開日 | 2016-08-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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8F44
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | | 分子名称: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | | 著者 | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | | 登録日 | 2022-11-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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6TLA
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7FQJ
 | | Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Ehler, A, Benz, J, Bartels, B, Rudolph, M.G. | | 登録日 | 2022-10-05 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal Structure of a human Legumain complex
To be published
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6TPN
 | | Crystal structure of the Orexin-2 receptor in complex with HTL6641 at 2.61 A resolution | | 分子名称: | 2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, NITRATE ION, OLEIC ACID, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.608 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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6ARZ
 | | Structure of a phage anti-CRISPR protein | | 分子名称: | BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ... | | 著者 | Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | | 登録日 | 2017-08-23 | | 公開日 | 2018-08-29 | | 最終更新日 | 2019-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein.
MBio, 8, 2017
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6HPE
 | | Crystal structure of glutathione transferase Omega 3S from Trametes versicolor in complex with the glutathione adduct of phenethyl-isothiocyanate | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Schwartz, M, Favier, F, Didierjean, C. | | 登録日 | 2018-09-20 | | 公開日 | 2019-04-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | The structure of Trametes versicolor glutathione transferase Omega 3S bound to its conjugation product glutathionyl-phenethylthiocarbamate reveals plasticity of its active site.
Protein Sci., 28, 2019
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6TT3
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7UM4
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7UQ0
 | | Putative periplasmic iron siderophore binding protein FecB (Rv3044) from Mycobacterium tuberculosis | | 分子名称: | CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | 著者 | Chao, A, Cuthbert, B.J, Goulding, C.W. | | 登録日 | 2022-04-18 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Differentiating the roles of Mycobacterium tuberculosis substrate binding proteins, FecB and FecB2, in iron uptake.
Plos Pathog., 19, 2023
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