2PJT
 
 | | Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344 | | 分子名称: | CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ... | | 著者 | Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L. | | 登録日 | 2007-04-16 | | 公開日 | 2008-04-22 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
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8D35
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6IHJ
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1G72
 | | CATALYTIC MECHANISM OF QUINOPROTEIN METHANOL DEHYDROGENASE: A THEORETICAL AND X-RAY CRYSTALLOGRAPHIC INVESTIGATION | | 分子名称: | CALCIUM ION, METHANOL DEHYDROGENASE HEAVY SUBUNIT, METHANOL DEHYDROGENASE LIGHT SUBUNIT, ... | | 著者 | Zheng, Y, Xia, Z, Chen, Z, Bruice, T.C, Mathews, F.S. | | 登録日 | 2000-11-08 | | 公開日 | 2001-01-24 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation.
Proc.Natl.Acad.Sci.USA, 98, 2001
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6JM5
 | | Crystal structure of TBC1D23 C terminal domain | | 分子名称: | SODIUM ION, TBC1 domain family member 23 | | 著者 | Sun, Q, Huang, W. | | 登録日 | 2019-03-07 | | 公開日 | 2019-10-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and functional studies of TBC1D23 C-terminal domain provide a link between endosomal trafficking and PCH.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6JIV
 | | SspE crystal structure | | 分子名称: | SspE protein | | 著者 | Bing, Y.Z, Yang, H.G. | | 登録日 | 2019-02-23 | | 公開日 | 2020-03-25 | | 最終更新日 | 2020-07-08 | | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | | 主引用文献 | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
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7LRT
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6LZE
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | 著者 | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | 登録日 | 2020-02-19 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.505 Å) | | 主引用文献 | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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8R8T
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4Z0C
 | | Crystal structure of TLR13-ssRNA13 complex | | 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, DNA (5'-R(P*AP*CP*GP*GP*AP*AP*AP*GP*AP*CP*CP*CP*C)-3'), ... | | 著者 | Song, W, Han, Z, Chai, J. | | 登録日 | 2015-03-26 | | 公開日 | 2015-10-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for specific recognition of single-stranded RNA by Toll-like receptor 13
Nat.Struct.Mol.Biol., 22, 2015
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8RPO
 | | BFL1 in complex with a reversible covalent ligand | | 分子名称: | (~{E})-2-cyano-3-(2-dimethylphosphorylphenyl)-~{N}-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]prop-2-enamide, Bcl-2-related protein A1 | | 著者 | Hargreaves, D. | | 登録日 | 2024-01-16 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.791 Å) | | 主引用文献 | Identification and Evaluation of Reversible Covalent Binders to Cys55 of Bfl-1 from a DNA-Encoded Chemical Library Screen.
Acs Med.Chem.Lett., 15, 2024
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5GYQ
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6JUF
 | | SspB crystal structure | | 分子名称: | SspB protein | | 著者 | Liqiong, L, Yubing, Z. | | 登録日 | 2019-04-13 | | 公開日 | 2020-03-25 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.587 Å) | | 主引用文献 | SspABCD-SspE is a phosphorothioation-sensing bacterial defence system with broad anti-phage activities.
Nat Microbiol, 5, 2020
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6LS4
 | | A novel anti-tumor agent S-40 in complex with tubulin | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ... | | 著者 | Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H. | | 登録日 | 2020-01-17 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
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7M17
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-1) | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | 著者 | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | 登録日 | 2021-03-12 | | 公開日 | 2021-03-24 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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7M19
 | | SN-407-LRRC8A in MSP1E3D1 lipid nanodiscs (Pose-2) | | 分子名称: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid, Volume-regulated anion channel subunit LRRC8A | | 著者 | Kern, D.M, Gerber, E.E, Brohawn, S.G. | | 登録日 | 2021-03-12 | | 公開日 | 2021-03-24 | | 最終更新日 | 2022-02-23 | | 実験手法 | ELECTRON MICROSCOPY (3.69 Å) | | 主引用文献 | Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Nat Commun, 13, 2022
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7BSX
 | | SDR protein NapW-NADP | | 分子名称: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | | 著者 | Wen, W.H, Tang, G.L. | | 登録日 | 2020-03-31 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
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7BTM
 | | SDR protein/resistance protein NapW | | 分子名称: | Short chain dehydrogenase | | 著者 | Wen, W.H, Tang, G.L. | | 登録日 | 2020-04-02 | | 公開日 | 2021-10-06 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.08311653 Å) | | 主引用文献 | Reductive inactivation of the hemiaminal pharmacophore for resistance against tetrahydroisoquinoline antibiotics.
Nat Commun, 12, 2021
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8XS3
 | | Structure of MPXV B6 and D68 fab complex | | 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, D68_heavy chain, ... | | 著者 | wu, L.L, Sun, J.Q. | | 登録日 | 2024-01-08 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | | 主引用文献 | Two noncompeting human neutralizing antibodies targeting MPXV B6 show protective effects against orthopoxvirus infections.
Nat Commun, 15, 2024
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8QNI
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8QNG
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8QNH
 | | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | | 分子名称: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | 著者 | Schimpl, M. | | 登録日 | 2023-09-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | | 主引用文献 | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
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6W45
 | | Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3 | | 分子名称: | 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | 著者 | Ferguson, A.D. | | 登録日 | 2020-03-10 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
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6W44
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6W4C
 | | Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5 | | 分子名称: | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | 著者 | Ferguson, A.D. | | 登録日 | 2020-03-10 | | 公開日 | 2021-05-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
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