6ZQT
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![BU of 6zqt by Molmil](/molmil-images/mine/6zqt) | Crystal structure of the RLIP76 Ral binding domain mutant (E427H/Q433L/K440R) in complex with RalB-GMPPNP | 分子名称: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | 著者 | Hurd, C, Brear, P, Revell, J, Ross, S, Mott, H, Owen, D. | 登録日 | 2020-07-10 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Affinity maturation of the RLIP76 Ral binding domain to inform the design of stapled peptides targeting the Ral GTPases. J.Biol.Chem., 296, 2020
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6ZRT
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![BU of 6zrt by Molmil](/molmil-images/mine/6zrt) | Crystal structure of SARS CoV2 main protease in complex with inhibitor Telaprevir | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, DIMETHYL SULFOXIDE, Main Protease | 著者 | Oerlemans, R, Wang, W, Lunev, S, Domling, A, Groves, M.R. | 登録日 | 2020-07-14 | 公開日 | 2020-08-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Repurposing the HCV NS3-4A protease drug boceprevir as COVID-19 therapeutics. Rsc Med Chem, 12, 2020
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7A1H
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![BU of 7a1h by Molmil](/molmil-images/mine/7a1h) | Crystal structure of wild-type CI2 | 分子名称: | SULFATE ION, Subtilisin-chymotrypsin inhibitor-2A | 著者 | Olsen, J.G, Teilum, K, Hamborg, L, Roche, J.V. | 登録日 | 2020-08-13 | 公開日 | 2020-12-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Synergistic stabilization of a double mutant in chymotrypsin inhibitor 2 from a library screen in E. coli. Commun Biol, 4, 2021
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6N3U
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6NRI
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![BU of 6nri by Molmil](/molmil-images/mine/6nri) | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | 分子名称: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | 著者 | Langelier, M.F, Pascal, J.M. | 登録日 | 2019-01-23 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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3RZA
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6MNG
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![BU of 6mng by Molmil](/molmil-images/mine/6mng) | 4738 TCR bound to IAb Padi4 | 分子名称: | 4738 TCR alpha chain, 4738 TCR beta chain, H-2 class II histocompatibility antigen, ... | 著者 | Blevins, S.J, Stadinski, B.D, Huseby, E.S. | 登録日 | 2018-10-01 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.662 Å) | 主引用文献 | A temporal thymic selection switch and ligand binding kinetics constrain neonatal Foxp3+Tregcell development. Nat.Immunol., 20, 2019
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6N3D
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![BU of 6n3d by Molmil](/molmil-images/mine/6n3d) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif (APO-State) | 分子名称: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | 登録日 | 2018-11-15 | 公開日 | 2019-01-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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7BWV
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7B3U
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![BU of 7b3u by Molmil](/molmil-images/mine/7b3u) | OXA-10 beta-lactamase with covalent modification | 分子名称: | Beta-lactamase OXA-10, DI(HYDROXYETHYL)ETHER, SODIUM ION, ... | 著者 | Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2020-12-01 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.598 Å) | 主引用文献 | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3S
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![BU of 7b3s by Molmil](/molmil-images/mine/7b3s) | OXA-10 beta-lactamase with S67Dha modification | 分子名称: | Beta-lactamase OXA-10, CARBON DIOXIDE, SODIUM ION, ... | 著者 | Lang, P.A, Brem, J, Schofield, C.J. | 登録日 | 2020-12-01 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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7B3R
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6NR6
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![BU of 6nr6 by Molmil](/molmil-images/mine/6nr6) | Crystal Structure of Staphylococcus pseudintermedius SbnI in complex with ADP | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional transcriptional regulator/O-phospho-L-serine synthase SbnI, MAGNESIUM ION | 著者 | Verstraete, M.M, Morales, L.D, Kobylarz, M.J, Loutet, S.A, Laakso, H.A, Heinrichs, D.E, Murphy, M.E.P. | 登録日 | 2019-01-22 | 公開日 | 2019-06-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The heme-sensitive regulator SbnI has a bifunctional role in staphyloferrin B production by Staphylococcus aureus . J.Biol.Chem., 294, 2019
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6NLI
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![BU of 6nli by Molmil](/molmil-images/mine/6nli) | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 11) | 分子名称: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NLM
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![BU of 6nlm by Molmil](/molmil-images/mine/6nlm) | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 15) | 分子名称: | 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NRE
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6NNC
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![BU of 6nnc by Molmil](/molmil-images/mine/6nnc) | Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed | 分子名称: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ... | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | 登録日 | 2019-01-14 | 公開日 | 2019-07-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6NRH
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![BU of 6nrh by Molmil](/molmil-images/mine/6nrh) | Crystal Structure of human PARP-1 ART domain bound inhibitor UTT63 | 分子名称: | 3-hydroxy-2-({4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | 著者 | Langelier, M.F, Pascal, J.M. | 登録日 | 2019-01-23 | 公開日 | 2019-08-14 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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7C1O
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7BM5
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![BU of 7bm5 by Molmil](/molmil-images/mine/7bm5) | Crystal structure of Fab1, the Fab fragment of the anti-BamA monoclonal antibody MAB1 | 分子名称: | Fab1 heavy chain, Fab1 light chain | 著者 | White, P, Storek, K.M, Rutherford, S.T, Radford, S.E. | 登録日 | 2021-01-19 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | The role of membrane destabilisation and protein dynamics in BAM catalysed OMP folding. Nat Commun, 12, 2021
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7BJT
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![BU of 7bjt by Molmil](/molmil-images/mine/7bjt) | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | 分子名称: | Alginate lyase, family PL17, CALCIUM ION, ... | 著者 | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | 登録日 | 2021-01-14 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT. Glycobiology, 31, 2021
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6NLN
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![BU of 6nln by Molmil](/molmil-images/mine/6nln) | 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | 分子名称: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | 著者 | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | 登録日 | 2019-01-08 | 公開日 | 2019-05-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NNW
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![BU of 6nnw by Molmil](/molmil-images/mine/6nnw) | Tsn15 in complex with substrate intermediate | 分子名称: | (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione, PHOSPHATE ION, PROPANOIC ACID, ... | 著者 | Paiva, F.C.R, Little, R, Leadlay, P, Dias, M.V.B. | 登録日 | 2019-01-15 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Unexpected enzyme-catalysed [4+2] cycloaddition and rearrangement in polyether antibiotic biosynthesis Nat Catal, 2019
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7BHE
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![BU of 7bhe by Molmil](/molmil-images/mine/7bhe) | DARPin_D5/Her3 domain 4 complex, monoclinic crystals | 分子名称: | ACETATE ION, DARPin_D5, GLYCEROL, ... | 著者 | Mittl, P.R.E, Radom, F, Pluckthun, A. | 登録日 | 2021-01-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.297 Å) | 主引用文献 | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. Acta Crystallogr.,Sect.F, 77, 2021
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7BHF
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![BU of 7bhf by Molmil](/molmil-images/mine/7bhf) | DARPin_D5/Her3 domain 4 complex, orthorhombic crystals | 分子名称: | ACETATE ION, DARPin_D5, Isoform 4 of Receptor tyrosine-protein kinase erbB-3 | 著者 | Mittl, P.R.E, Radom, F, Pluckthun, A. | 登録日 | 2021-01-11 | 公開日 | 2021-11-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | 主引用文献 | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. Acta Crystallogr.,Sect.F, 77, 2021
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