5FHB
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8PFO
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![BU of 8pfo by Molmil](/molmil-images/mine/8pfo) | Crystal structure of WRN helicase domain in complex with HRO761 | 分子名称: | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide | 著者 | Scheufler, C, Meyer, M, Moebitz, H. | 登録日 | 2023-06-16 | 公開日 | 2024-04-24 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers. Nature, 629, 2024
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5FHC
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8BS8
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![BU of 8bs8 by Molmil](/molmil-images/mine/8bs8) | Bovine naive ultralong antibody AbD08 collected at 100K | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Heavy chain, Light chain | 著者 | Clarke, J.D, Douangamath, A, Mikolajek, H, Stuart, D.I, Owens, R.J. | 登録日 | 2022-11-24 | 公開日 | 2023-05-24 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | The impact of exchanging the light and heavy chains on the structures of bovine ultralong antibodies. Acta Crystallogr.,Sect.F, 80, 2024
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4JWT
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4L0M
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4LDN
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4KN5
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4WGH
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![BU of 4wgh by Molmil](/molmil-images/mine/4wgh) | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution | 分子名称: | ACETATE ION, Aldehyde reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Bacal, P, Shabalin, I.G, Cooper, D.R, Hillerich, B.S, Zimmerman, M.D, Chowdhury, S, Hammonds, J, Al Obaidi, N, Gizzi, A, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2014-09-18 | 公開日 | 2014-10-01 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of aldo/keto reductase from Klebsiella pneumoniae in complex with NADP and acetate at 1.8 A resolution to be published
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4HC8
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4HKT
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6US2
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![BU of 6us2 by Molmil](/molmil-images/mine/6us2) | MTH1 in complex with compound 5 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | 著者 | Newby, Z.E.R, Lansdon, E.B. | 登録日 | 2019-10-24 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.80012655 Å) | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6US3
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![BU of 6us3 by Molmil](/molmil-images/mine/6us3) | MTH1 in complex with compound 4 | 分子名称: | 7,8-dihydro-8-oxoguanine triphosphatase, N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | 著者 | Newby, Z.E.R, Lansdon, E.B. | 登録日 | 2019-10-24 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.47028923 Å) | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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6US4
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![BU of 6us4 by Molmil](/molmil-images/mine/6us4) | MTH1 in complex with compound 32 | 分子名称: | 5-(2,3-dichlorophenyl)[1,2,4]triazolo[1,5-a]pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase | 著者 | Newby, Z.E.R, Lansdon, E.B. | 登録日 | 2019-10-24 | 公開日 | 2020-04-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95032907 Å) | 主引用文献 | Discovery of Potent and Selective MTH1 Inhibitors for Oncology: Enabling Rapid Target (In)Validation. Acs Med.Chem.Lett., 11, 2020
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5T66
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![BU of 5t66 by Molmil](/molmil-images/mine/5t66) | Crystal Structure of CTX-M-15 with 1C | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | 登録日 | 2016-09-01 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | 主引用文献 | Cyclic Boronates Inhibit All Classes of beta-Lactamases. Antimicrob. Agents Chemother., 61, 2017
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8TJT
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![BU of 8tjt by Molmil](/molmil-images/mine/8tjt) | The Fab fragment of an anti-glucagon receptor (GCGR) antibody | 分子名称: | anti-GCGR Fab heavy chain, anti-GCGR Fab light chain | 著者 | Dai, J, Carter, P.J, Sudhamsu, J, Kung, J. | 登録日 | 2023-07-24 | 公開日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Variable domain mutational analysis to probe the molecular mechanisms of high viscosity of an IgG 1 antibody. Mabs, 16, 2024
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4IZG
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![BU of 4izg by Molmil](/molmil-images/mine/4izg) | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound cis-4oh-d-proline betaine (product) | 分子名称: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium, IODIDE ION, MAGNESIUM ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-01-29 | 公開日 | 2013-02-13 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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7O71
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![BU of 7o71 by Molmil](/molmil-images/mine/7o71) | Cryo-EM structure of a respiratory complex I | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), ... | 著者 | Parey, K, Vonck, J. | 登録日 | 2021-04-12 | 公開日 | 2021-11-10 | 最終更新日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism. Sci Adv, 7, 2021
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7O6Y
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![BU of 7o6y by Molmil](/molmil-images/mine/7o6y) | Cryo-EM structure of respiratory complex I under turnover | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | 著者 | Parey, K, Vonck, J. | 登録日 | 2021-04-12 | 公開日 | 2021-11-10 | 最終更新日 | 2021-12-01 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | High-resolution structure and dynamics of mitochondrial complex I-Insights into the proton pumping mechanism. Sci Adv, 7, 2021
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4GIC
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![BU of 4gic by Molmil](/molmil-images/mine/4gic) | Crystal Structure Of a Putative Histidinol dehydrogenase (Target PSI-014034) from Methylococcus capsulatus | 分子名称: | Histidinol dehydrogenase, SULFATE ION | 著者 | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-08-08 | 公開日 | 2012-08-22 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Crystal structure of a putative Histidinol dehydrogenase from Methylococcus capsulatus to be published
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4J1O
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![BU of 4j1o by Molmil](/molmil-images/mine/4j1o) | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound l-proline betaine (substrate) | 分子名称: | 1,1-DIMETHYL-PROLINIUM, GLYCEROL, IODIDE ION, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, LaFleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-02-01 | 公開日 | 2013-03-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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4E8G
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![BU of 4e8g by Molmil](/molmil-images/mine/4e8g) | Crystal structure of an enolase (mandelate racemase subgroup) from paracococus denitrificans pd1222 (target nysgrc-012907) with bound mg | 分子名称: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, N-terminal domain protein, ... | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Sojitra, S, Chamala, S, Kar, A, Lafleur, J, Villigas, G, Evans, B, Hammonds, J, Gizzi, A, Zencheck, W.D, Hillerich, B, Love, J, Seidel, R.D, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-03-20 | 公開日 | 2012-05-02 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Prediction and biochemical demonstration of a catabolic pathway for the osmoprotectant proline betaine. MBio, 5, 2014
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4JOS
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![BU of 4jos by Molmil](/molmil-images/mine/4jos) | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) | 分子名称: | 1,2-ETHANEDIOL, ADENINE, Adenosylhomocysteine nucleosidase, ... | 著者 | Sampathkumar, P, Schramm, V.L, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2013-03-18 | 公開日 | 2013-04-03 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Francisella philomiragia ATCC 25017 (Target NYSGRC-029335) to be published
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4GI5
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![BU of 4gi5 by Molmil](/molmil-images/mine/4gi5) | Crystal Structure Of a Putative quinone reductase from Klebsiella pneumoniae (Target PSI-013613) | 分子名称: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | 登録日 | 2012-08-08 | 公開日 | 2012-08-22 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Crystal structure of a quinone reductase from Klebsiella pneumoniae with bound FAD to be published
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8CIF
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![BU of 8cif by Molmil](/molmil-images/mine/8cif) | Bovine naive ultralong antibody AbD08 collected at 293K | 分子名称: | Heavy chain, Light chain | 著者 | Clarke, J.D, Mikolajek, H, Stuart, D.I, Owens, R.J. | 登録日 | 2023-02-09 | 公開日 | 2023-05-24 | 最終更新日 | 2023-07-19 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Protein-to-structure pipeline for ambient-temperature in situ crystallography at VMXi. Iucrj, 10, 2023
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