6BES
 
 | | Solution structure of de novo macrocycle design11_ss | | 分子名称: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | | 登録日 | 2017-10-25 | | 公開日 | 2017-12-27 | | 最終更新日 | 2024-10-09 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6YQX
 | | Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | | 分子名称: | CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13 | | 著者 | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | | 登録日 | 2020-04-18 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.638 Å) | | 主引用文献 | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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8W05
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7KNA
 | | Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle | | 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, Hemagglutinin,I53_dn5 | | 著者 | Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | 登録日 | 2020-11-04 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
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4TPY
 | | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BENZAMIDINE, ... | | 著者 | Teplitsky, E, Joshi, K, Mullen, J.D, Soares, A.S. | | 登録日 | 2014-06-10 | | 公開日 | 2014-10-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | High throughput screening using acoustic droplet ejection to combine protein crystals and chemical libraries on crystallization plates at high density.
J.Struct.Biol., 191, 2015
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7NKZ
 | | Cryo-EM structure of the cytochrome bd oxidase from M. tuberculosis at 2.5 A resolution | | 分子名称: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, HEME B/C, MENAQUINONE-9, ... | | 著者 | Safarian, S, Wu, D, Krause, K.L, Michel, H. | | 登録日 | 2021-02-19 | | 公開日 | 2021-09-22 | | 最終更新日 | 2021-09-29 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | The cryo-EM structure of the bd oxidase from M. tuberculosis reveals a unique structural framework and enables rational drug design to combat TB.
Nat Commun, 12, 2021
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6F6Y
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6SU6
 | | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and UDP-glucose | | 分子名称: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | 著者 | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | | 登録日 | 2019-09-13 | | 公開日 | 2020-09-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering
Acs Catalysis, 11, 2021
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4FU0
 | | Crystal Structure of VanG D-Ala:D-Ser Ligase from Enterococcus faecalis | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, D-alanine--D-alanine ligase 7, SULFATE ION | | 著者 | Meziane-Cherif, D, Saul, F.A, Haouz, A, Courvalin, P. | | 登録日 | 2012-06-28 | | 公開日 | 2012-09-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural and functional characterization of VanG D-Ala:D-Ser ligase associated with vancomycin resistance in Enterococcus faecalis
J.Biol.Chem., 287, 2012
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6YMC
 | | 26-mer stem-loop RNA | | 分子名称: | BARIUM ION, RNA (26-MER) | | 著者 | Janowski, R, Niessing, D. | | 登録日 | 2020-04-08 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Multiple intrinsically disordered RNA-binding motifs cooperate as RNA-folding catalyst and mediate phase transition
To Be Published
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7NA6
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4RL2
 | | Structural and mechanistic insights into NDM-1 catalyzed hydrolysis of cephalosporins | | 分子名称: | (1R)-2-({(R)-carboxy[(2R,5S)-4-carboxy-5-methyl-5,6-dihydro-2H-1,3-thiazin-2-yl]methyl}amino)-2-oxo-1-phenylethanaminium, Beta-lactamase NDM-1, ZINC ION | | 著者 | Feng, H, Ding, J, Zhu, D, Liu, X, Xu, X, Zhang, Y, Zang, S, Wang, D.-C, Liu, W. | | 登録日 | 2014-10-15 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | | 主引用文献 | Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins.
J.Am.Chem.Soc., 136, 2014
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6B40
 | | BbRAGL-3'TIR synaptic complex with nicked DNA refined with C2 symmetry | | 分子名称: | 31TIR intact strand, 31TIR pre-nicked strand of flanking DNA, 31TIR pre-nicked strand of signal DNA, ... | | 著者 | Zhang, Y, Cheng, T.C, Xiong, Y, Schatz, D.G. | | 登録日 | 2017-09-25 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Transposon molecular domestication and the evolution of the RAG recombinase.
Nature, 569, 2019
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1BNK
 | | HUMAN 3-METHYLADENINE DNA GLYCOSYLASE COMPLEXED TO DNA | | 分子名称: | DNA (5'-D(*GP*AP*CP*AP*TP*GP*YRRP*TP*TP*GP*CP*CP*T)-3'), DNA (5'-D(*GP*GP*CP*AP*AP*TP*CP*AP*TP*GP*TP*CP*A)-3'), PROTEIN (3-METHYLADENINE DNA GLYCOSYLASE) | | 著者 | Lau, A.Y, Schaerer, O.D, Samson, L, Verdine, G.L, Ellenberger, T. | | 登録日 | 1998-07-29 | | 公開日 | 1998-10-21 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal structure of a human alkylbase-DNA repair enzyme complexed to DNA: mechanisms for nucleotide flipping and base excision.
Cell(Cambridge,Mass.), 95, 1998
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7Q1Q
 | | De novo designed homo-dimeric antiparallel helices Homomer-S | | 分子名称: | ACETATE ION, Homomer-S | | 著者 | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | 登録日 | 2021-10-20 | | 公開日 | 2022-07-20 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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5NB3
 | | High resolution C-phycoerythrin from marine cyanobacterium Phormidium sp. A09DM at pH 7.5 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | | 著者 | Sonani, R.R, Roszak, A.W, Ortmann de Percin Northumberland, C, Madamwar, D, Cogdell, R.J. | | 登録日 | 2017-03-01 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | An improved crystal structure of C-phycoerythrin from the marine cyanobacterium Phormidium sp. A09DM.
Photosyn. Res., 135, 2018
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8WDW
 | | Crystal structure of a novel PU plastic degradation urethanase UMG-SP2 from uncultured bacterium | | 分子名称: | GLYCEROL, SULFATE ION, UMG-SP2 | | 著者 | Cong, L, Li, Z.S, Gao, J, Li, Q, Chen, Y.Y, Han, X, Gert, W, Wei, R, Liu, W.D, Bornscheuer, U.T. | | 登録日 | 2023-09-16 | | 公開日 | 2024-09-18 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Crystal structure of a novel PU plastic degradation urethanase UMG-SP2 from uncultured bacterium
To Be Published
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5NHF
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2017-05-10 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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8W06
 | | Crystal Structure of the reconstruction of the ancestral triosephosphate isomerase of the last opisthokont common ancestor obtained by maximum likelihood with PGH | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ACETIC ACID, ... | | 著者 | Perez-Nino, J.A, Rodriguez-Romero, A, Guerra-Borrego, Y, Fernandez-Velasco, D.A. | | 登録日 | 2024-02-13 | | 公開日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Stable monomers in the ancestral sequence reconstruction of the last opisthokont common ancestor of dimeric triosephosphate isomerase.
Protein Sci., 33, 2024
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5NHJ
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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5NHP
 | | Human Erk2 with an Erk1/2 inhibitor | | 分子名称: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | | 登録日 | 2017-03-22 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point.
J. Med. Chem., 60, 2017
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6VPY
 | | I33M (I3.2 mutant from CH103 Lineage) | | 分子名称: | CHLORIDE ION, GLYCEROL, I33M heavy chain, ... | | 著者 | Fera, D, Zhou, J. | | 登録日 | 2020-02-04 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | The Effects of Framework Mutations at the Variable Domain Interface on Antibody Affinity Maturation in an HIV-1 Broadly Neutralizing Antibody Lineage.
Front Immunol, 11, 2020
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6VVE
 | | Legionella pneumophila Lpg2603 kinase bound to IP6, Mn2+, and ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Dot/Icm T4SS effector, INOSITOL HEXAKISPHOSPHATE, ... | | 著者 | Tomchick, D.R, Tagliabracci, V.S, Park, B.C. | | 登録日 | 2020-02-17 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | ALegionellaeffector kinase is activated by host inositol hexakisphosphate.
J.Biol.Chem., 295, 2020
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5N0G
 | | Crystal Structure of CobH T85A (precorrin-8x methyl mutase) complexed with C5 allyl-HBA | | 分子名称: | 3-[(1~{R},2~{S},3~{S},4~{Z},7~{S},8~{S},9~{Z},15~{R},17~{R},18~{R},19~{R})-2,7,18-tris(2-hydroxy-2-oxoethyl)-3,13,17-tris(3-hydroxy-3-oxopropyl)-1,2,7,12,12,15,17-heptamethyl-5-prop-2-enyl-3,8,15,18,19,21-hexahydrocorrin-8-yl]propanoic acid, GLYCEROL, Precorrin-8X methylmutase | | 著者 | Nemoto-Smith, E.H, Lawrence, A.D, Brown, D.G, Warren, M.J. | | 登録日 | 2017-02-02 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Novel cobalamin analogues and their application in the trafficking of cobalamin in bacteria, worms and plants
To Be Published
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5NME
 | | 868 TCR in complex with HLA A02 presenting SLYNTVATL | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Rizkallah, P.J, Cole, D.K, Fuller, A, Sewell, A.K. | | 登録日 | 2017-04-05 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Dual Molecular Mechanisms Govern Escape at Immunodominant HLA A2-Restricted HIV Epitope.
Front Immunol, 8, 2017
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