7U4O
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![BU of 7u4o by Molmil](/molmil-images/mine/7u4o) | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | 分子名称: | 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10 | 著者 | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | 登録日 | 2022-02-28 | 公開日 | 2022-10-05 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors. Eur.J.Med.Chem., 243, 2022
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7U2U
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![BU of 7u2u by Molmil](/molmil-images/mine/7u2u) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH Compound-2a AKA (2S)-2-(TERT-BUTOXY)-2-[7-(4,4-DIMETHYLPIPE RIDIN-1-YL)-8-{4-[2-(4-FLUOROPHENYL)ETHOXY]PHENYL}-2,5-DIM ETHYLIMIDAZO[1,2-A]PYRIDIN-6-YL]ACETIC ACID | 分子名称: | (2S)-tert-butoxy[(4S)-7-(4,4-dimethylpiperidin-1-yl)-8-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,5-dimethylimidazo[1,2-a]pyridin-6-yl]acetic acid, Integrase, SULFATE ION | 著者 | Khan, J.A, lewis, H, Kish, K. | 登録日 | 2022-02-24 | 公開日 | 2022-06-08 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | Scaffold modifications to the 4-(4,4-dimethylpiperidinyl) 2,6-dimethylpyridinyl class of HIV-1 allosteric integrase inhibitors. Bioorg.Med.Chem., 67, 2022
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8BRE
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7TRB
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![BU of 7trb by Molmil](/molmil-images/mine/7trb) | CRYSTAL STRUCTURE OF FARNESOID X-ACTIVATED RECEPTOR COMPLEXED WITH COMPOUND-32 AKA (1S,3S)-N-({4-[5-(2-FLUOROPR OPAN-2-YL)-1,2,4-OXADIAZOL-3-YL]BICYCLO[2.2.2]OCTAN-1-YL}M ETHYL)-3-HYDROXY-N-[4'-(2-HYDROXYPROPAN-2-YL)-[1,1'-BIPHEN YL]-3-YL]-3-(TRIFLUOROMETHYL)CYCLOBUTANE-1-CARBOXAMIDE | 分子名称: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide, Bile acid receptor, co-activator | 著者 | Khan, J.A, Ruzanov, M. | 登録日 | 2022-01-28 | 公開日 | 2022-06-29 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of BMS-986339, a Pharmacologically Differentiated Farnesoid X Receptor Agonist for the Treatment of Nonalcoholic Steatohepatitis. J.Med.Chem., 65, 2022
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4M9F
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![BU of 4m9f by Molmil](/molmil-images/mine/4m9f) | Dengue virus NS2B-NS3 protease A125C variant at pH 8.5 | 分子名称: | NS2B-NS3 protease | 著者 | Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A. | 登録日 | 2013-08-14 | 公開日 | 2013-11-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus. Acs Chem.Biol., 8, 2013
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8CPB
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![BU of 8cpb by Molmil](/molmil-images/mine/8cpb) | 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with AMPPNP, and AnhMurNAc at 1.7 Angstroms resolution. | 分子名称: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, GLYCEROL, ... | 著者 | Jimenez-Faraco, E, Hermoso, J.A. | 登録日 | 2023-03-02 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem., 299, 2023
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8CP9
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8C0U
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![BU of 8c0u by Molmil](/molmil-images/mine/8c0u) | 1,6-anhydro-n-actetylmuramic acid kinase (AnmK) in complex with their natural substrates and products | 分子名称: | (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | 著者 | Jimenez-Faraco, E, Hermoso, J.A. | 登録日 | 2022-12-19 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.112 Å) | 主引用文献 | Catalytic process of anhydro-N-acetylmuramic acid kinase from Pseudomonas aeruginosa. J.Biol.Chem., 299, 2023
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8C6C
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![BU of 8c6c by Molmil](/molmil-images/mine/8c6c) | Light SFX structure of D.m(6-4)photolyase at 300ps time delay | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2023-01-11 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6H
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![BU of 8c6h by Molmil](/molmil-images/mine/8c6h) | Light SFX structure of D.m(6-4)photolyase at 2ps time delay | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2023-01-11 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C1U
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![BU of 8c1u by Molmil](/molmil-images/mine/8c1u) | SFX structure of D.m(6-4)photolyase | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2022-12-21 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C69
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![BU of 8c69 by Molmil](/molmil-images/mine/8c69) | Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2023-01-11 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6A
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![BU of 8c6a by Molmil](/molmil-images/mine/8c6a) | Light SFX structure of D.m(6-4)photolyase at 1ps time delay | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2023-01-11 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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7UJA
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![BU of 7uja by Molmil](/molmil-images/mine/7uja) | Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ... | 著者 | Lees, J.A, Ammirati, M, Han, S. | 登録日 | 2022-03-30 | 公開日 | 2023-04-19 | 最終更新日 | 2023-05-10 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine. Sci Transl Med, 15, 2023
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8C6B
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![BU of 8c6b by Molmil](/molmil-images/mine/8c6b) | Light SFX structure of D.m(6-4)photolyase at 20ps time delay | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2023-01-11 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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8C6F
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![BU of 8c6f by Molmil](/molmil-images/mine/8c6f) | Light SFX structure of D.m(6-4)photolyase at 400fs time delay | 分子名称: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | 著者 | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | 登録日 | 2023-01-11 | 公開日 | 2023-11-01 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
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4M9T
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![BU of 4m9t by Molmil](/molmil-images/mine/4m9t) | |
8C8S
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![BU of 8c8s by Molmil](/molmil-images/mine/8c8s) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). | 分子名称: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | 著者 | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | 登録日 | 2023-01-20 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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8C8B
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![BU of 8c8b by Molmil](/molmil-images/mine/8c8b) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48). | 分子名称: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION | 著者 | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | 登録日 | 2023-01-19 | 公開日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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7N1S
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![BU of 7n1s by Molmil](/molmil-images/mine/7n1s) | Crystal Structure Analysis of Xac Nucleotide Pyrophosphatase/Phosphodiesterase | 分子名称: | Phosphodiesterase-nucleotide pyrophosphatase, TETRAETHYLENE GLYCOL, ZINC ION | 著者 | Fernandez, D, Li, L, Brown, J.A, Carozza, J.A. | 登録日 | 2021-05-28 | 公開日 | 2022-06-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | ENPP1's regulation of extracellular cGAMP is a ubiquitous mechanism of attenuating STING signaling. Proc.Natl.Acad.Sci.USA, 119, 2022
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6VRK
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![BU of 6vrk by Molmil](/molmil-images/mine/6vrk) | Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | 著者 | Coleman, J.A, Navratna, V, Yang, D. | 登録日 | 2020-02-07 | 公開日 | 2020-03-11 | 最終更新日 | 2020-09-23 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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6W2B
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![BU of 6w2b by Molmil](/molmil-images/mine/6w2b) | Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, ... | 著者 | Coleman, J.A, Navratna, V, Yang, D. | 登録日 | 2020-03-05 | 公開日 | 2020-03-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (4.7 Å) | 主引用文献 | Chemical and structural investigation of the paroxetine-human serotonin transporter complex. Elife, 9, 2020
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1MNS
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6Y2L
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![BU of 6y2l by Molmil](/molmil-images/mine/6y2l) | Structure of human ribosome in POST state | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | 著者 | Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A. | 登録日 | 2020-02-16 | 公開日 | 2020-04-15 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes. Cell Rep, 31, 2020
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6YAJ
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![BU of 6yaj by Molmil](/molmil-images/mine/6yaj) | Split gene transketolase, inactive beta4 tetramer | 分子名称: | 1,2-ETHANEDIOL, C-terminal chain of split transketolase from Carboxydothermus hydrogenoformans, DI(HYDROXYETHYL)ETHER, ... | 著者 | Isupov, M.N, Littlechild, J.A, James, P. | 登録日 | 2020-03-12 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A 'Split-Gene' Transketolase From the Hyper-Thermophilic Bacterium Carboxydothermus hydrogenoformans : Structure and Biochemical Characterization. Front Microbiol, 11, 2020
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