5EN2
 
 | | Molecular basis for antibody-mediated neutralization of New World hemorrhagic fever mammarenaviruses | | 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, CHLORIDE ION, ... | | 著者 | Mahmutovic, S, Clark, L, Levis, S, Briggiler, A, Enria, D, Harrison, S.C, Abraham, J. | | 登録日 | 2015-11-09 | | 公開日 | 2015-12-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.821 Å) | | 主引用文献 | Molecular Basis for Antibody-Mediated Neutralization of New World Hemorrhagic Fever Mammarenaviruses.
Cell Host Microbe, 18, 2015
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5F8Y
 | | Crystal structure of a Crenomytilus grayanus lectin in complex with galactosamine | | 分子名称: | 2-amino-2-deoxy-alpha-D-galactopyranose, GLYCEROL, GalNAc/Gal-specific lectin | | 著者 | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | 登録日 | 2015-12-09 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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8EXG
 | | Human Carbonic Anhydrase II bound N-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)-4-sulfamoylbenzamide | | 分子名称: | (4S)-5-amino-4-{1,3-dioxo-4-[(2-{2-[2-(4-sulfamoylbenzamido)ethoxy]ethoxy}ethyl)amino]-1,3-dihydro-2H-isoindol-2-yl}-5-oxopentanoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | 著者 | Kohlbrand, A.J, O'Herin, C.B. | | 登録日 | 2022-10-25 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
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8EXC
 | | Human Carbonic Anhydrase II bound tert-butyl (3-(4-(3-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)propoxy)butoxy)propyl)carbamate | | 分子名称: | Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(3-{4-[3-({2-[(3R)-2,6-dioxopiperidin-3-yl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}amino)propoxy]butoxy}propyl)-4-sulfamoylbenzamide, ... | | 著者 | Kohlbrand, A.J, O'Herin, C.B. | | 登録日 | 2022-10-25 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
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8EMU
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8EYL
 | | Human Carbonic Anhydrase II with Tert-butyl (2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)ethoxy)ethyl)carbamate | | 分子名称: | 2-[[(2~{R})-1-azanyl-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]-6-[2-[2-[(4-sulfamoylphenyl)carbonylamino]ethoxy]ethylamino]benzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | 著者 | Kohlbrand, A.J, O'Herin, C.B. | | 登録日 | 2022-10-27 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Development of Human Carbonic Anhydrase II Heterobifunctional Degraders.
J.Med.Chem., 2023
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7CMM
 | | Crystal structure of TEAD1-YBD in complex with K-975 | | 分子名称: | N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide, Transcriptional enhancer factor TEF-1 | | 著者 | Tsuji, Y, Suzuki, M, Yasunaga, M, Hamguchi, K, Saito, J. | | 登録日 | 2020-07-28 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | The novel potent TEAD inhibitor, K-975, inhibits YAP1/TAZ-TEAD protein-protein interactions and exerts an anti-tumor effect on malignant pleural mesothelioma.
Am J Cancer Res, 10, 2020
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7CCS
 | | Consensus mutated xCT-CD98hc complex | | 分子名称: | 4F2 cell-surface antigen heavy chain, Consensus mutated Anionic Amino Acid Transporter Light Chain, Xc- System | | 著者 | Oda, K, Lee, Y, Takemoto, M, Yamashita, K, Nishizawa, T, Nureki, O. | | 登録日 | 2020-06-17 | | 公開日 | 2020-12-09 | | 最終更新日 | 2020-12-16 | | 実験手法 | ELECTRON MICROSCOPY (6.2 Å) | | 主引用文献 | Consensus mutagenesis approach improves the thermal stability of system x c - transporter, xCT, and enables cryo-EM analyses.
Protein Sci., 29, 2020
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7V1U
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZJ12 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-06 | | 公開日 | 2022-08-10 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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6N9P
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7V2J
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 33 | | 分子名称: | Bromodomain-containing protein 4, ~{N}-(3-ethyl-6-methoxy-1,2-benzoxazol-5-yl)-4-methoxy-benzenesulfonamide | | 著者 | Zhang, M, Wang, C, Zhang, C, Zhang, Y, Xu, Y. | | 登録日 | 2021-08-09 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Design, synthesis and pharmacological characterization of N-(3-ethylbenzo[d]isoxazol-5-yl) sulfonamide derivatives as BRD4 inhibitors against acute myeloid leukemia.
Acta Pharmacol.Sin., 43, 2022
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6X2J
 | | Structure of human TRPA1 in complex with agonist GNE551 | | 分子名称: | 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide, Transient receptor potential cation channel subfamily A member 1 | | 著者 | Rohou, A, Rouge, L, Chen, H. | | 登録日 | 2020-05-20 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel.
Neuron, 109, 2021
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7SU1
 | | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Fab heavy chain, ... | | 著者 | Lee, P.S, Chau, B, Strop, P. | | 登録日 | 2021-11-15 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
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7SU0
 | | Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.105 in complex with CTLA-4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Cytotoxic T-lymphocyte protein 4, ... | | 著者 | Lee, P.S, Chau, B, Strop, P. | | 登録日 | 2021-11-15 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Improved therapeutic index of an acidic pH-selective antibody.
Mabs, 14, 2022
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7CSY
 | | Pseudomonas aeruginosa antitoxin HigA with higBA promoter | | 分子名称: | DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ... | | 著者 | Song, Y.J, Luo, G.H, Bao, R. | | 登録日 | 2020-08-17 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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8P8G
 | | Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | 著者 | Maslac, N, Wagner, T. | | 登録日 | 2023-06-01 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
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5G3P
 | | Bacillus cereus formamidase (BceAmiF) acetylated at the active site. | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Gavira, J.A, Conejero-Muriel, M, Martinez-Rodriguez, S. | | 登録日 | 2016-04-29 | | 公開日 | 2017-04-12 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | A novel cysteine carbamoyl-switch is responsible for the inhibition of formamidase, a nitrilase superfamily member.
Arch.Biochem.Biophys., 662, 2019
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6OIA
 | | (1S,3S)-3-amino-4-(perfluoropropan-2-ylidene)cyclopentane-1-carboxylic acid hydrochloride, a potent inhibitor of ornithine aminotransferase | | 分子名称: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid, GLYCEROL, Ornithine aminotransferase, ... | | 著者 | Catlin, D.S, Liu, D, Moschitto, M.J, Doubleday, P.F, Kelleher, N, Silverman, R.B. | | 登録日 | 2019-04-09 | | 公開日 | 2019-09-18 | | 最終更新日 | 2020-04-01 | | 実験手法 | X-RAY DIFFRACTION (1.777 Å) | | 主引用文献 | Mechanism of Inactivation of Ornithine Aminotransferase by (1S,3S)-3-Amino-4-(hexafluoropropan-2-ylidenyl)cyclopentane-1-carboxylic Acid.
J.Am.Chem.Soc., 141, 2019
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8PFL
 | | Crystal structure of WRN helicase domain in complex with 3 | | 分子名称: | 2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-7-oxidanylidene-6-[4-(3-oxidanylpyridin-2-yl)carbonylpiperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-~{N}-[2-methyl-4-(trifluoromethyl)phenyl]ethanamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | 著者 | Scheufler, C, Meyer, M, Moebitz, H. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
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8PFO
 | | Crystal structure of WRN helicase domain in complex with HRO761 | | 分子名称: | Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION, ~{N}-[2-chloranyl-4-(trifluoromethyl)phenyl]-2-[2-(3,6-dihydro-2~{H}-pyran-4-yl)-5-ethyl-6-[4-(6-methyl-5-oxidanyl-pyrimidin-4-yl)carbonylpiperazin-1-yl]-7-oxidanylidene-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]ethanamide | | 著者 | Scheufler, C, Meyer, M, Moebitz, H. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of WRN inhibitor HRO761 with synthetic lethality in MSI cancers.
Nature, 629, 2024
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8PFP
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7U0M
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5F8S
 | | Crystal structure of a Crenomytilus grayanus lectin | | 分子名称: | GLYCEROL, GalNAc/Gal-specific lectin | | 著者 | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | 登録日 | 2015-12-09 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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6OIM
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7C4R
 | | Crystal structure of hydrogen peroxide treated zebrafish TRF2 complexed with DNA | | 分子名称: | DNA (5'-D(*D*CP*DP*CP*DP*CP*DP*TP*DP*AP*DP*AP*DP*CP*DP*CP*DP*CP*DP*TP*DP*AP*DP*A)-3'), DNA (5'-D(*D*TP*DP*TP*DP*AP*DP*GP*DP*GP*DP*GP*DP*TP*DP*TP*DP*AP*DP*G)-3'), DNA (5'-D(*D*TP*DP*TP*DP*AP*DP*GP*DP*GP*DP*GP*DP*TP*DP*TP*DP*AP*DP*GP*DP*GP*DP*G)-3'), ... | | 著者 | Jin, Z, Park, J.H, Yun, J.H, Park, S.Y, Lee, W. | | 登録日 | 2020-05-18 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Crystal structure of hydrogen peroxide treated zebrafish TRF2 myb-domain complexed with DNA
To Be Published
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