7GDI
 
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with EDJ-MED-49816e9b-1 (Mpro-x11011) | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8DAY
 | | Crystal Structure of DMATS1 prenyltransferase in complex with L-Tyr and DMSPP | | 分子名称: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, Dimethylallyltryptophan synthase 1, TYROSINE | | 著者 | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | | 登録日 | 2022-06-14 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
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7GDT
 | | Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with MAK-UNK-0d6072ac-20 (Mpro-x11223) | | 分子名称: | (2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid, 3C-like proteinase, DIMETHYL SULFOXIDE | | 著者 | Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F. | | 登録日 | 2023-08-11 | | 公開日 | 2023-11-08 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.509 Å) | | 主引用文献 | Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
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8DAZ
 | | Crystal structure of DMATS1 prenyltransferase in complex with L-Trp and GSPP | | 分子名称: | Dimethylallyltryptophan synthase 1, GERANYL S-THIOLODIPHOSPHATE, TRYPTOPHAN | | 著者 | Eaton, S.A, Ronnebaum, T.A, Roose, B.W, Christianson, D.W. | | 登録日 | 2022-06-14 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Structural Basis of Substrate Promiscuity and Catalysis by the Reverse Prenyltransferase N -Dimethylallyl-l-tryptophan Synthase from Fusarium fujikuroi .
Biochemistry, 61, 2022
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6XNU
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5NGE
 | | Crystal structure of USP7 in complex with the non-covalent inhibitor, FT671 | | 分子名称: | 5-[[1-[(3~{S})-4,4-bis(fluoranyl)-3-(3-fluoranylpyrazol-1-yl)butanoyl]-4-oxidanyl-piperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-one, Ubiquitin carboxyl-terminal hydrolase 7 | | 著者 | Turnbull, A.P, Krajewski, W.W, Ioannidis, S, Kessler, B.M, Komander, D. | | 登録日 | 2017-03-17 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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8AQV
 | | BA.2.12.1 SARS-CoV-2 Spike bound to mouse ACE2 (local) | | 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, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | | 著者 | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | | 登録日 | 2022-08-13 | | 公開日 | 2023-03-01 | | 最終更新日 | 2023-04-19 | | 実験手法 | ELECTRON MICROSCOPY (2.96 Å) | | 主引用文献 | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range.
Plos Pathog., 19, 2023
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6RJ5
 | | Crystal structure of PHGDH in complex with compound 39 | | 分子名称: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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5NA8
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7RTU
 | | Cryo-EM structure of a TTYH2 trans-dimer | | 分子名称: | Protein tweety homolog 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Li, B, Brohawn, S.G, Hoel, C.M. | | 登録日 | 2021-08-15 | | 公開日 | 2021-08-25 | | 最終更新日 | 2022-03-09 | | 実験手法 | ELECTRON MICROSCOPY (3.89 Å) | | 主引用文献 | Structures of tweety homolog proteins TTYH2 and TTYH3 reveal a Ca 2+ -dependent switch from intra- to intermembrane dimerization.
Nat Commun, 12, 2021
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6RL0
 | | Recombinant Pseudomonas stutzeri nitrous oxide reductase, form I | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O. | | 登録日 | 2019-04-30 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7RTT
 | | Cryo-EM structure of a TTYH2 cis-dimer | | 分子名称: | CALCIUM ION, Protein tweety homolog 2, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Li, B, Brohawn, S.G, Hoel, C.M. | | 登録日 | 2021-08-15 | | 公開日 | 2021-08-25 | | 最終更新日 | 2022-03-09 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structures of tweety homolog proteins TTYH2 and TTYH3 reveal a Ca 2+ -dependent switch from intra- to intermembrane dimerization.
Nat Commun, 12, 2021
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5IKR
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5NGF
 | | Crystal structure of USP7 in complex with the covalent inhibitor, FT827 | | 分子名称: | 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 7, ~{N}-[2-[4-[4-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-4-oxidanyl-piperidin-1-yl]carbonylphenyl]phenyl]ethanesulfonamide | | 著者 | Krajewski, W.W, Turnbull, A.P, Ioannidis, S, Kessler, B.M, Komander, D. | | 登録日 | 2017-03-17 | | 公開日 | 2017-10-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Molecular basis of USP7 inhibition by selective small-molecule inhibitors.
Nature, 550, 2017
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5L6T
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | 登録日 | 2016-05-31 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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5L70
 | | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER | | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Vallade, M, Langlois d'Estaintot, B, Granier, T, Huc, I. | | 登録日 | 2016-06-01 | | 公開日 | 2017-06-21 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
To Be Published
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8BO1
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | | 分子名称: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, AZIDE ION, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-14 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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8BR1
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | | 分子名称: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | 登録日 | 2022-11-22 | | 公開日 | 2023-09-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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6GGI
 | | Crystal structure of CotB2 in complex with 2-fluoro-3,7,18-dolabellatriene | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-fluoro-3,7,18-dolabellatriene, ACETONITRILE, ... | | 著者 | Driller, R, Janke, S, Fuchs, M, Warner, E, Mhashal, A.R, Major, D.T, Christmann, M, Brueck, T, Loll, B. | | 登録日 | 2018-05-03 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.803 Å) | | 主引用文献 | Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.
Nat Commun, 9, 2018
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8CLY
 | | Crystal structure of Rhizobium etli constitutive L-asparaginase ReAIV (tetragonal form R4tP) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative L-asparaginase II protein, ... | | 著者 | Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M. | | 登録日 | 2023-02-17 | | 公開日 | 2023-08-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | | 主引用文献 | Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center.
Acta Crystallogr D Struct Biol, 79, 2023
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5T3Z
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5LOF
 | | Crystal structure of the MBP-MCL1 complex with highly selective and potent inhibitor of MCL1 | | 分子名称: | (2~{R})-2-[5-[3-chloranyl-2-methyl-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(5-fluoranylfuran-2-yl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-[2-[[2-[2,2,2-tris(fluoranyl)ethyl]pyrazol-3-yl]methoxy]phenyl]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Dokurno, P, Kotschy, A, Szlavik, Z, Murray, J, Davidson, J, Csekei, M, Paczal, A, Szabo, Z, Sipos, S, Radics, G, Proszenyak, A, Balint, B, Ondi, L, Blasko, G, Robertson, A, Surgenor, A, Chen, I, Matassova, N, Smith, J, Pedder, C, Graham, C, Geneste, O. | | 登録日 | 2016-08-09 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The MCL1 inhibitor S63845 is tolerable and effective in diverse cancer models.
Nature, 538, 2016
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6XR3
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5KSD
 | | Crystal Structure of a Plasma Membrane Proton Pump | | 分子名称: | ATPase 2, plasma membrane-type, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Croll, T, Pedersen, B.P, Nissen, P. | | 登録日 | 2016-07-08 | | 公開日 | 2016-08-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Improved Model of Proton Pump Crystal Structure Obtained by Interactive Molecular Dynamics Flexible Fitting Expands the Mechanistic Model for Proton Translocation in P-Type ATPases.
Front Physiol, 8, 2017
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5IFY
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