6GCK
| Trypanosoma brucei PTR1 in complex with inhibitor 1e (F206) | 分子名称: | 4-[(2-azanyl-1,3-benzothiazol-6-yl)oxymethyl]benzenecarbonitrile, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCQ
| Trypanosoma brucei PTR1 in complex with inhibitor 2b (F192) | 分子名称: | 6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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7XBF
| The complex structure of RshSTT182/200 RBD-insert2 bound to human ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain insert2, ... | 著者 | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | 登録日 | 2022-03-21 | 公開日 | 2023-01-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.51 Å) | 主引用文献 | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBG
| The crystal structure of RshSTT182/200 RBD-insert2-T346R-Y496G mutant in complex with human ACE2 | 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, Processed angiotensin-converting enzyme 2, ... | 著者 | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | 登録日 | 2022-03-21 | 公開日 | 2023-01-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.37 Å) | 主引用文献 | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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7XBH
| The complex structure of RshSTT182/200 RBD bound to human ACE2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, RshSTT182/200 coronavirus receptor binding domain, ... | 著者 | Hu, Y, Liu, K.F, Han, P, Qi, J.X. | 登録日 | 2022-03-21 | 公開日 | 2023-01-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Host range and structural analysis of bat-origin RshSTT182/200 coronavirus binding to human ACE2 and its animal orthologs. Embo J., 42, 2023
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6GCL
| Trypanosoma brucei PTR1 in complex with inhibitor 3a (F020) | 分子名称: | 6-methylsulfonyl-1,3-benzothiazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pteridine reductase | 著者 | Landi, G, Pozzi, C, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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6GCP
| Trypanosoma brucei PTR1 in complex with inhibitor 2d (F186) | 分子名称: | 6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine, ACETATE ION, GLYCEROL, ... | 著者 | Pozzi, C, Landi, G, Mangani, S. | 登録日 | 2018-04-18 | 公開日 | 2019-04-03 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | Enhancement of Benzothiazoles as Pteridine Reductase-1 Inhibitors for the Treatment of Trypanosomatidic Infections. J.Med.Chem., 62, 2019
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8U16
| The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to Pomalidomide | 分子名称: | 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ... | 著者 | Clifton, M.C, Ma, X, Ornelas, E. | 登録日 | 2023-08-30 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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8U17
| The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-long bound to Pomalidomide | 分子名称: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | 著者 | Clifton, M.C, Ma, X, Ornelas, E. | 登録日 | 2023-08-30 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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8U15
| The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to CC-220 | 分子名称: | (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DDB1, Protein cereblon, ... | 著者 | Clifton, M.C, Ma, X, Ornelas, E. | 登録日 | 2023-08-30 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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3T10
| HSP90 N-terminal domain bound to ACP | 分子名称: | Heat shock protein HSP 90-alpha, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | 著者 | Li, J. | 登録日 | 2011-07-21 | 公開日 | 2012-01-25 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structure insights into mechanisms of ATP hydrolysis and the activation of human heat-shock protein 90. Acta Biochim Biophys Sin (Shanghai), 44, 2012
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1M8S
| Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 5.9) | 分子名称: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase a2 | 著者 | Xu, S, Gu, L, Zhou, Y, Lin, Z. | 登録日 | 2002-07-25 | 公開日 | 2003-02-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio Biochem.Biophys.Res.Commun., 300, 2003
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1M8R
| Crystal Structures of Cadmium-binding Acidic Phospholipase A2 from the Venom of Agkistrodon halys pallas at 1.9 Resolution (crystal grown at pH 7.4) | 分子名称: | 1,4-BUTANEDIOL, CADMIUM ION, phospholipase A2 | 著者 | Xu, S, Gu, L, Zhou, Y, Lin, Z. | 登録日 | 2002-07-25 | 公開日 | 2003-02-11 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio Biochem.Biophys.Res.Commun., 300, 2003
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5C1Y
| Crystal structure of EV71 3C Proteinase in complex with Compound 1 | 分子名称: | 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C20
| Crystal structure of EV71 3C Proteinase in complex with Compound 2 | 分子名称: | 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C1U
| Crystal structure of EV71 3C Proteinase in complex with Compound Xb | 分子名称: | (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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5C1X
| Crystal structure of EV71 3C Proteinase in complex with Compound VIII | 分子名称: | (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase | 著者 | Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T. | 登録日 | 2015-06-15 | 公開日 | 2016-06-01 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71 J.Mol.Recognit., 29, 2016
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3HA6
| Crystal structure of aurora A in complex with TPX2 and compound 10 | 分子名称: | N~2~-(3,4-dimethoxyphenyl)-N~4~-[2-(2-fluorophenyl)ethyl]-N~6~-quinolin-6-yl-1,3,5-triazine-2,4,6-triamine, Serine/threonine-protein kinase 6, Targeting protein for Xklp2 | 著者 | Zhao, B, Clark, M.A. | 登録日 | 2009-05-01 | 公開日 | 2009-08-04 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
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3HA8
| THE COMPLEX STRUCTURE OF THE MAP KINASE P38/Compound 14b | 分子名称: | Mitogen-activated protein kinase 14, N~2~-{4-[6-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-1H-benzimidazol-1-yl]-6-ethoxy-1,3,5-triazin-2-yl}-3-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-N-methyl-L-alaninamide | 著者 | Zhao, B, Clark, M.A. | 登録日 | 2009-05-01 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Design, synthesis and selection of DNA-encoded small-molecule libraries. Nat.Chem.Biol., 5, 2009
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1EEA
| Acetylcholinesterase | 分子名称: | PROTEIN (ACETYLCHOLINESTERASE) | 著者 | Raves, M.L, Giles, K, Schrag, J.D, Schmid, M.F, Phillips Jr, G.N, Wah, C, Howard, A.J, Silman, I, Sussman, J.L. | 登録日 | 1999-01-26 | 公開日 | 1999-02-01 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | 主引用文献 | Quaternary Structure of Tetrameric Acetylcholinesterase Structure and Function of Cholinesterases and Related Proteins, 1998
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2W15
| High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | 分子名称: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | 著者 | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | 登録日 | 2008-10-14 | 公開日 | 2009-06-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2W13
| High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | 分子名称: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, ACETATE ION, GLYCEROL, ... | 著者 | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | 登録日 | 2008-10-14 | 公開日 | 2009-06-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2W12
| High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | 分子名称: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, ZINC ION, ... | 著者 | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | 登録日 | 2008-10-14 | 公開日 | 2009-06-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2W14
| High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding | 分子名称: | (2R,3R)-N^1^-[(1S)-2,2-DIMETHYL-1-(METHYLCARBAMOYL)PROPYL]-N^4^-HYDROXY-2-(2-METHYLPROPYL)-3-{[(1,3-THIAZOL-2-YLCARBONYL)AMINO]METHYL}BUTANEDIAMIDE, GLYCEROL, IMIDAZOLE, ... | 著者 | Lingott, T.J, Schleberger, C, Gutierrez, J.M, Merfort, I. | 登録日 | 2008-10-14 | 公開日 | 2009-06-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | High-Resolution Crystal Structure of the Snake Venom Metalloproteinase Bap1 Complexed with a Peptidomimetic: Insight Into Inhibitor Binding. Biochemistry, 48, 2009
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2KIK
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