2I47
 
 | | Crystal structure of catalytic domain of TACE with inhibitor | | 分子名称: | 4-({[4-(BUT-2-YN-1-YLOXY)PHENYL]SULFONYL}METHYL)-1-[(3,5-DIMETHYLISOXAZOL-4-YL)SULFONYL]-N-HYDROXYPIPERIDINE-4-CARBOXAMIDE, ADAM 17, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | 著者 | Xu, W, Condon, J.S, Lovering, F.E. | | 登録日 | 2006-08-21 | | 公開日 | 2006-12-05 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of potent and selective TACE inhibitors via the S1 pocket.
Bioorg.Med.Chem.Lett., 17, 2007
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8QJR
 | | BRG1 bromodomain in complex with VBC via compound 17 | | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-[4-[3-[4-[(1R,5S)-3-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridin-2-yl]oxycyclobutyl]oxypiperidin-1-yl]ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, CHLORIDE ION, Elongin-B, ... | | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | 登録日 | 2023-09-13 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.17 Å) | | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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8QJS
 | | VHL/Elongin B/Elongin C complex with compound 155 | | 分子名称: | (2S,4R)-1-[(2R)-2-[3-[2-(2-methoxyethoxy)ethoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | 登録日 | 2023-09-13 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.191 Å) | | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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8QJT
 | | BRM (SMARCA2) Bromodomain in complex with ligand 10 | | 分子名称: | 2-[6-azanyl-5-[(1R,5S)-8-[2-(2-methoxyethoxy)pyridin-4-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol, CHLORIDE ION, Probable global transcription activator SNF2L2, ... | | 著者 | Kerry, P.S, Hole, A.J, Perez-Dorado, J.I. | | 登録日 | 2023-09-13 | | 公開日 | 2024-01-17 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.568 Å) | | 主引用文献 | PROTACs Targeting BRM (SMARCA2) Afford Selective In Vivo Degradation over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models.
J.Med.Chem., 67, 2024
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8XRT
 | | The crystal structure of a GH3 enzyme CcBgl3B | | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B | | 著者 | Su, J.Y. | | 登録日 | 2024-01-08 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
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5ECE
 | | Tankyrase 1 with Phthalazinone 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | | 著者 | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | | 登録日 | 2015-10-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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8XRV
 | | The crystal structure of a GH3 enzyme CcBgl3B with glucose | | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B, beta-D-glucopyranose | | 著者 | Su, J.Y. | | 登録日 | 2024-01-08 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
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8XRX
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8XRU
 | | The crystal structure of a GH3 enzyme CcBgl3B with glycerol | | 分子名称: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | | 著者 | Su, J.Y. | | 登録日 | 2024-01-08 | | 公開日 | 2024-04-10 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study.
Int.J.Biol.Macromol., 265, 2024
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5EBT
 | | Tankyrase 1 with Phthalazinone 2 | | 分子名称: | (R,R)-2,3-BUTANEDIOL, 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one, Tankyrase-1, ... | | 著者 | Kazmirski, S.L, Johannes, J. | | 登録日 | 2015-10-19 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
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5F5M
 | | Crystal structure of Marburg virus nucleoprotein core domain | | 分子名称: | Nucleoprotein | | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | 登録日 | 2015-12-04 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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5F5O
 | | Crystal structure of Marburg virus nucleoprotein core domain bound to VP35 regulation peptide | | 分子名称: | Nucleoprotein, Peptide from Polymerase cofactor VP35, SULFATE ION | | 著者 | Guo, Y, Liu, B.C, Liu, X, Li, G.B, Wang, W.M, Dong, S.S, Wang, W.J. | | 登録日 | 2015-12-04 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Insight into Nucleoprotein Conformation Change Chaperoned by VP35 Peptide in Marburg Virus
J. Virol., 91, 2017
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6XN9
 | | Solution NMR structure of recifin, a cysteine-rich tyrosyl-DNA Phosphodiesterase I modulatory peptide from the marine sponge Axinella sp. | | 分子名称: | Recifin modulatory peptide | | 著者 | Schroeder, C.I, Rosengren, K.J, O'Keefe, B.R. | | 登録日 | 2020-07-02 | | 公開日 | 2021-02-10 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Recifin A, Initial Example of the Tyr-Lock Peptide Structural Family, Is a Selective Allosteric Inhibitor of Tyrosyl-DNA Phosphodiesterase I.
J.Am.Chem.Soc., 142, 2020
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6C9S
 | | Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | | 分子名称: | 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ... | | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2018-01-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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4RP9
 | | Bacterial vitamin C transporter UlaA/SgaT in C2 form | | 分子名称: | ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, PENTAETHYLENE GLYCOL, ... | | 著者 | Wang, J.W. | | 登録日 | 2014-10-29 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Crystal structure of a phosphorylation-coupled vitamin C transporter.
Nat.Struct.Mol.Biol., 22, 2015
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6C9P
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6C9N
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7X6L
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7X6O
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6C67
 | | Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin | | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ... | | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2018-01-17 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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6C9V
 | | Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol | | 分子名称: | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol, Adenosine kinase, GLYCEROL, ... | | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2018-01-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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6C9Q
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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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6C9R
 | | Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol | | 分子名称: | 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, Adenosine kinase, GLYCEROL, ... | | 著者 | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2018-01-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
J.Med.Chem., 62, 2019
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4RP8
 | | Bacterial vitamin C transporter UlaA/SgaT in P21 form | | 分子名称: | ASCORBIC ACID, Ascorbate-specific permease IIC component UlaA, nonyl beta-D-glucopyranoside | | 著者 | Wang, J.W. | | 登録日 | 2014-10-29 | | 公開日 | 2015-03-04 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.359 Å) | | 主引用文献 | Crystal structure of a phosphorylation-coupled vitamin C transporter.
Nat.Struct.Mol.Biol., 22, 2015
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