8EYN
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![BU of 8eyn by Molmil](/molmil-images/mine/8eyn) | Crystal Structure of Human Mitochondrial NADP+ Malic Enzyme 3 in Apo Form | 分子名称: | CITRIC ACID, NADP-dependent malic enzyme, mitochondrial | 著者 | Shaffer, P.L, Grell, T.A.J, Mason, M, Thompson, A.A, Riley, D, Wagner, M.V, Steele, R, Ortiz-Meoz, R, Wadia, J, Sharma, S, Yu, X. | 登録日 | 2022-10-28 | 公開日 | 2023-02-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Integrative structural and functional analysis of human malic enzyme 3: A potential therapeutic target for pancreatic cancer. Heliyon, 8, 2022
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8EYK
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8EYJ
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![BU of 8eyj by Molmil](/molmil-images/mine/8eyj) | Crystal Structure of uncleaved SARS-CoV-2 Main Protease C145S mutant in complex with Nirmatrelvir | 分子名称: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | 著者 | Noske, G.D, Godoy, A.S, Oliva, G. | 登録日 | 2022-10-27 | 公開日 | 2022-11-16 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.738 Å) | 主引用文献 | An in-solution snapshot of SARS-COV-2 main protease maturation process and inhibition. Nat Commun, 14, 2023
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8EYI
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8EYF
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![BU of 8eyf by Molmil](/molmil-images/mine/8eyf) | Plasmodium falciparum M1 in complex with inhibitor 15aa | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | 著者 | Calic, P.P.S, McGowan, S, Webb, C.T. | 登録日 | 2022-10-26 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation. Eur.J.Med.Chem., 248, 2022
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8EYE
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![BU of 8eye by Molmil](/molmil-images/mine/8eye) | Plasmodium falciparum M1 in complex with inhibitor 9aj | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ... | 著者 | Calic, P.P.S, McGowan, S, Webb, C.T. | 登録日 | 2022-10-26 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation. Eur.J.Med.Chem., 248, 2022
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8EYD
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![BU of 8eyd by Molmil](/molmil-images/mine/8eyd) | Plasmodium falciparum M1 in complex with inhibitor 15ah | 分子名称: | GLYCEROL, M1 family aminopeptidase, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide, ... | 著者 | Calic, P.P.S, McGowan, S, Webb, C.T. | 登録日 | 2022-10-26 | 公開日 | 2023-01-18 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation. Eur.J.Med.Chem., 248, 2022
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8EYB
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![BU of 8eyb by Molmil](/molmil-images/mine/8eyb) | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with JAK2 activation loop phosphopeptide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein kinase JAK2 activation loop phosphopeptide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | 登録日 | 2022-10-26 | 公開日 | 2023-07-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK. Commun Biol, 6, 2023
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8EYA
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![BU of 8eya by Molmil](/molmil-images/mine/8eya) | Crystal structure of PTP1B D181A/Q262A/C215A phosphatase domain with a JAK2 activation loop phosphopeptide | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | 登録日 | 2022-10-26 | 公開日 | 2023-07-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.099 Å) | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK. Commun Biol, 6, 2023
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8EY5
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![BU of 8ey5 by Molmil](/molmil-images/mine/8ey5) | Human Serum Albumin with Cobalt (II) and Myristic Acid - crystal 3 | 分子名称: | COBALT (II) ION, MYRISTIC ACID, Serum albumin | 著者 | Gucwa, M, Cooper, D.R, Stewart, A.J, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID) | 登録日 | 2022-10-26 | 公開日 | 2022-11-09 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural and biochemical characterisation of Co2+-binding sites on serum albumins and their interplay with fatty acids Chem Sci, 14, 2023
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8EY4
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![BU of 8ey4 by Molmil](/molmil-images/mine/8ey4) | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 | 分子名称: | Cys_rich_CPCC domain-containing protein, FE (III) ION, PT-VENN domain-containing protein | 著者 | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2022-10-26 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 To Be Published
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8EY0
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![BU of 8ey0 by Molmil](/molmil-images/mine/8ey0) | Structure of an orthogonal PYR1*:HAB1* chemical-induced dimerization module in complex with mandipropamid | 分子名称: | (2S)-2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)ethanamide, Abscisic acid receptor PYR1, GLYCEROL, ... | 著者 | Park, S.-Y, Volkman, B.F, Cutler, S.R, Peterson, F.C. | 登録日 | 2022-10-26 | 公開日 | 2023-11-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | An orthogonalized PYR1-based CID module with reprogrammable ligand-binding specificity. Nat.Chem.Biol., 20, 2024
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8EXV
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![BU of 8exv by Molmil](/molmil-images/mine/8exv) | Crystal structure of PI3K-alpha in complex with compound 32 | 分子名称: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
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![BU of 8exu by Molmil](/molmil-images/mine/8exu) | Crystal structure of PI3K-alpha in complex with compound 30 | 分子名称: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXT
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![BU of 8ext by Molmil](/molmil-images/mine/8ext) | Cryo-EM structure of S. aureus BlaR1 F284A mutant in complex with ampicillin | 分子名称: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | 著者 | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | 登録日 | 2022-10-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXS
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![BU of 8exs by Molmil](/molmil-images/mine/8exs) | Cryo-EM structure of S. aureus BlaR1 F284A mutant | 分子名称: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | 著者 | Alexander, J.A.N, Hu, J, Worrall, L.J, Strynadka, N.C.J. | 登録日 | 2022-10-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXR
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![BU of 8exr by Molmil](/molmil-images/mine/8exr) | Cryo-EM structure of S. aureus BlaR1 TM and zinc metalloprotease domain | 分子名称: | (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, Beta-lactam sensor/signal transducer BlaR1, PHOSPHATE ION, ... | 著者 | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | 登録日 | 2022-10-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXQ
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![BU of 8exq by Molmil](/molmil-images/mine/8exq) | Cryo-EM structure of S. aureus BlaR1 with C1 symmetry | 分子名称: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | 著者 | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | 登録日 | 2022-10-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.9 Å) | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXP
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![BU of 8exp by Molmil](/molmil-images/mine/8exp) | Cryo-EM structure of S. aureus BlaR1 with C2 symmetry | 分子名称: | Beta-lactam sensor/signal transducer BlaR1, ZINC ION | 著者 | Worrall, L.J, Alexander, J.A.N, Vuckovic, M, Strynadka, N.C.J. | 登録日 | 2022-10-25 | 公開日 | 2023-01-11 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Structural basis of broad-spectrum beta-lactam resistance in Staphylococcus aureus. Nature, 613, 2023
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | Crystal structure of PI3K-alpha in complex with compound 19 | 分子名称: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXN
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![BU of 8exn by Molmil](/molmil-images/mine/8exn) | Crystal structure of PTP1B D181A/Q262A phosphatase domain with TYK2 activation loop phosphopeptide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-receptor tyrosine-protein kinase TYK2 activation loop peptide, PHOSPHATE ION, ... | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | 登録日 | 2022-10-25 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK. Commun Biol, 6, 2023
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8EXM
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![BU of 8exm by Molmil](/molmil-images/mine/8exm) | Crystal structure of PTP1B D181A/Q262A phosphatase domain with a JAK3 activation loop phosphopeptide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK3 activation loop peptide, ... | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | 登録日 | 2022-10-25 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.349 Å) | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK. Commun Biol, 6, 2023
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | Crystal structure of PI3K-alpha in complex with taselisib | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | 登録日 | 2022-10-25 | 公開日 | 2022-11-30 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXJ
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![BU of 8exj by Molmil](/molmil-images/mine/8exj) | Crystal structure of PTP1B D181A/Q262A phosphatase domain in complex with a JAK1 activation loop phosphopeptide | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PHOSPHATE ION, Tyrosine-protein kinase JAK1 activation loop peptide, ... | 著者 | Morris, R, Kershaw, N.J, Babon, J.J. | 登録日 | 2022-10-25 | 公開日 | 2023-07-05 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Structure guided studies of the interaction between PTP1B and JAK. Commun Biol, 6, 2023
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8EXB
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![BU of 8exb by Molmil](/molmil-images/mine/8exb) | Crystal structure of CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, {N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-(pyridin-3-yl)propanamide}bis[2-(quinolin-2-yl-kappaN)-1-benzothiophen-3-yl-kappaC~3~]iridium(1+) | 著者 | Sevrioukova, I.F. | 登録日 | 2022-10-25 | 公開日 | 2023-02-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Dynamic Ir(III) Photosensors for the Major Human Drug-Metabolizing Enzyme Cytochrome P450 3A4. Inorg.Chem., 62, 2023
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