4QE8
 
 | | FXR with DM175 and NCoA-2 peptide | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 4-({2-[(4-tert-butylbenzoyl)amino]benzoyl}amino)benzoic acid, ... | | 著者 | Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Sreeramulu, S, Nilsson, E, Dekker, N, Wissler, L, Bamberg, K, Schubert-Zsilavecz, M, Schwalbe, H. | | 登録日 | 2014-05-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | FXR with DM175 and NCoA-2 peptide
To be Published
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5TVY
 | | Computationally Designed Fentanyl Binder - Fen49 | | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Endo-1,4-beta-xylanase A | | 著者 | Bick, M.J, Greisen, P.J, Morey, K.J, Antunes, M.S, La, D, Sankaran, B, Reymond, L, Johnsson, K, Medford, J.I, Baker, D. | | 登録日 | 2016-11-10 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1 Å) | | 主引用文献 | Computational design of environmental sensors for the potent opioid fentanyl.
Elife, 6, 2017
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6SFR
 | | SOS1 in Complex with Inhibitor BI-68BS | | 分子名称: | 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | | 著者 | Kessler, D, Fischer, G, Ramharter, J. | | 登録日 | 2019-08-02 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.917 Å) | | 主引用文献 | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
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3WWB
 | | Crystal structure of the computationally designed Pizza2-SR protein | | 分子名称: | Pizza2-SR protein | | 著者 | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | | 登録日 | 2014-06-17 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Computational design of a self-assembling symmetrical beta-propeller protein.
Proc.Natl.Acad.Sci.USA, 111, 2014
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2JY5
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6SC9
 | | dAb3/HOIP-RBR-HOIPIN-8 | | 分子名称: | 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid, CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, ... | | 著者 | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | 登録日 | 2019-07-23 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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6SAK
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5UBL
 | | A circularly permuted version of PvdQ (cpPvdQ) | | 分子名称: | Acyl-homoserine lactone acylase PvdQ | | 著者 | Wu, R, Mascarenhas, R, Catlin, D, Clevenger, K, Fast, W, Liu, D. | | 登録日 | 2016-12-20 | | 公開日 | 2017-03-01 | | 最終更新日 | 2019-11-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ
To Be Published
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3ZJE
 | | A20 OTU domain in reversibly oxidised (SOH) state | | 分子名称: | 1,2-ETHANEDIOL, A20P50, CHLORIDE ION | | 著者 | Kulathu, Y, Garcia, F.J, Mevissen, T.E.T, Busch, M, Arnaudo, N, Carroll, K.S, Barford, D, Komander, D. | | 登録日 | 2013-01-17 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Regulation of A20 and Other Otu Deubiquitinases by Reversible Oxidation
Nat.Commun., 4, 2013
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6EWW
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6SF6
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5COJ
 | | Structure of Hydroxyethylthiazole kinase ThiM from Staphylococcus aureus in complex with native substrate 2-(4-methyl-1,3-thiazol-5-yl)ethanol. | | 分子名称: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | | 著者 | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | | 登録日 | 2015-07-20 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
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6SC8
 | | dAb3/HOIP-RBR-Ligand4 | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | | 著者 | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | 登録日 | 2019-07-23 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | | 主引用文献 | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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6F1A
 | | Structure of Mb NMH H64V, V68A mutant complex with EDA incubated at room temperature for 20 min | | 分子名称: | ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Tinzl, M, Hayashi, T, Mori, T, Hilvert, D. | | 登録日 | 2017-11-21 | | 公開日 | 2018-08-22 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.399 Å) | | 主引用文献 | Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
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3ZNV
 | | Crystal structure of the OTU domain of OTULIN at 1.3 Angstroms. | | 分子名称: | CALCIUM ION, CHLORIDE ION, GLYCEROL, ... | | 著者 | Keusekotten, K, Elliott, P.R, Glockner, L, Kulathu, Y, Wauer, T, Krappmann, D, Hofmann, K, Komander, D. | | 登録日 | 2013-02-18 | | 公開日 | 2013-06-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Otulin Antagonizes Lubac Signaling by Specifically Hydrolyzing met1-Linked Polyubiquitin.
Cell(Cambridge,Mass.), 153, 2013
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6SC7
 | | dAb3/HOIP-RBR-Ligand3 | | 分子名称: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | | 著者 | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | | 登録日 | 2019-07-23 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases.
Cell Chem Biol, 27, 2020
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6SCM
 | | SOS1 in Complex with Inhibitor BI-3406 | | 分子名称: | 1,2-ETHANEDIOL, IMIDAZOLE, Son of sevenless homolog 1, ... | | 著者 | Kessler, D, Fischer, G, Ramharter, J. | | 登録日 | 2019-07-24 | | 公開日 | 2020-08-26 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.866 Å) | | 主引用文献 | BI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Cancer Discov, 11, 2021
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5CM5
 | | Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus | | 分子名称: | Hydroxyethylthiazole kinase | | 著者 | Drebes, J, Kuenz, M, Eberle, R.J, Oberthuer, D, Cang, H, Wrenger, C, Betzel, C. | | 登録日 | 2015-07-16 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections.
Sci Rep, 6, 2016
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2JY9
 | | NMR structure of putative tRNA hydrolase domain from Salmonella typhimurium. NorthEast Structural Genomics Consortium target StR220 | | 分子名称: | Putative tRNA hydrolase domain | | 著者 | Singarapu, K.K, Wu, Y, Sukumaran, D, Eletsky, A, Zeri, A, Wang, D, Janjua, H, Owens, L, Xiao, R, Liu, J, Baran, M.C, Swapna, G.V.T, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2007-12-07 | | 公開日 | 2008-01-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of putative tRNA hydrolase domain from Salmonella typhimurium.
To be Published
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5UGQ
 | | Crystal Structure of Hip1 (Rv2224c) | | 分子名称: | Carboxylesterase A | | 著者 | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | | 登録日 | 2017-01-09 | | 公開日 | 2017-04-12 | | 最終更新日 | 2019-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.609 Å) | | 主引用文献 | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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6SO5
 | | Homo sapiens WRB/CAML heterotetramer in complex with a TRC40 dimer | | 分子名称: | ATPase ASNA1, Calcium signal-modulating cyclophilin ligand, Tail-anchored protein insertion receptor WRB, ... | | 著者 | McDowell, M.A, Heimes, M, Wild, K, Flemming, D, Sinning, I. | | 登録日 | 2019-08-29 | | 公開日 | 2020-09-09 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | | 主引用文献 | Structural Basis of Tail-Anchored Membrane Protein Biogenesis by the GET Insertase Complex.
Mol.Cell, 80, 2020
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6EVR
 | | Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor | | 分子名称: | 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | | 著者 | Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N. | | 登録日 | 2017-11-02 | | 公開日 | 2018-06-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents.
Eur J Med Chem, 151, 2018
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5UJ2
 | | Crystal structure of HCV NS5B genotype 2A JFH-1 isolate with S15G E86Q E87Q C223H V321I mutations and Delta8 neta hairpoin loop deletion in complex with GS-639476 (diphsohate version of GS-9813), Mn2+ and symmetrical primer template 5'-AUAAAUUU | | 分子名称: | (1S)-1-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-2-methyl-D-ribitol, CHLORIDE ION, Genome polyprotein, ... | | 著者 | Edwards, T.E, Fox III, D, Appleby, T.C, Murakami, E, Rey, A, McGrath, M.E. | | 登録日 | 2017-01-16 | | 公開日 | 2017-03-22 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Discovery of a 2'-fluoro-2'-C-methyl C-nucleotide HCV polymerase inhibitor and a phosphoramidate prodrug with favorable properties.
Bioorg. Med. Chem. Lett., 27, 2017
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6FKM
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6YPU
 | | Acinetobacter baumannii ribosome-amikacin complex - 30S subunit body | | 分子名称: | (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 16S ribosomal RNA, 30S ribosomal protein S11, ... | | 著者 | Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A. | | 登録日 | 2020-04-16 | | 公開日 | 2020-09-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
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