8PNE
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8S3R
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![BU of 8s3r by Molmil](/molmil-images/mine/8s3r) | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | 分子名称: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | 登録日 | 2024-02-20 | 公開日 | 2024-07-03 | 最終更新日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 67, 2024
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8BCY
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![BU of 8bcy by Molmil](/molmil-images/mine/8bcy) | HUMAN PI3KDELTA IN COMPLEX WITH COMPOUND 13 | 分子名称: | 9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Pala, D, Mazzucato, R, Capelli, A.M, Rancati, F, Biagetti, M. | 登録日 | 2022-10-17 | 公開日 | 2023-05-10 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | 主引用文献 | Application of an "inhalation by design" approach to the identification and in-vitro evaluation of novel purine based PI3K delta inhibitors. Eur.J.Med.Chem., 254, 2023
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8PNO
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6AZJ
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![BU of 6azj by Molmil](/molmil-images/mine/6azj) | Crystal Structure of human NAMPT in complex with NVP-LQN520 | 分子名称: | (1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase | 著者 | Weihofen, W.A, Thigale, S. | 登録日 | 2017-09-11 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6B75
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![BU of 6b75 by Molmil](/molmil-images/mine/6b75) | Crystal Structure of human NAMPT in complex with NVP-LOQ594 | 分子名称: | 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide, Nicotinamide phosphoribosyltransferase | 著者 | Weihofen, W.A, Thigale, S. | 登録日 | 2017-10-03 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6ATB
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![BU of 6atb by Molmil](/molmil-images/mine/6atb) | Crystal Structure of human NAMPT in complex with NVP-LOD812 | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ... | 著者 | Weihofen, W.A, Thigale, S. | 登録日 | 2017-08-28 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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6B76
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![BU of 6b76 by Molmil](/molmil-images/mine/6b76) | Crystal Structure of human NAMPT in complex with NVP-LVR596 | 分子名称: | (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | 著者 | Weihofen, W.A, Thigale, S. | 登録日 | 2017-10-03 | 公開日 | 2018-10-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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4M3M
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4U9R
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![BU of 4u9r by Molmil](/molmil-images/mine/4u9r) | Structure of the N-terminal Extension from Cupriavidus metallidurans CzcP | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, CADMIUM ION, CzcP cation efflux P1-ATPase | 著者 | Smith, A.T, Rosenzweig, A.C. | 登録日 | 2014-08-06 | 公開日 | 2015-07-08 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | A new metal binding domain involved in cadmium, cobalt and zinc transport. Nat.Chem.Biol., 11, 2015
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7NRJ
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7O5T
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7O5N
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![BU of 7o5n by Molmil](/molmil-images/mine/7o5n) | Crystal Structure of a Class D carbapenemase complexed with Avibactam | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ... | 著者 | Zhou, Q, Zhang, Z, He, Y, Jin, Y. | 登録日 | 2021-04-09 | 公開日 | 2022-04-20 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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7O9N
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7PGO
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![BU of 7pgo by Molmil](/molmil-images/mine/7pgo) | Crystal Structure of a Class D Carbapenemase_R250A | 分子名称: | 1-BUTANOL, BROMIDE ION, Beta-lactamase | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-08-15 | 公開日 | 2022-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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7PFN
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7PEH
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![BU of 7peh by Molmil](/molmil-images/mine/7peh) | Crystal Structure of a Class D Carbapenemase | 分子名称: | 1-BUTANOL, Beta-lactamase | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-08-10 | 公開日 | 2022-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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7PEI
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7PEP
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![BU of 7pep by Molmil](/molmil-images/mine/7pep) | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | 分子名称: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-08-11 | 公開日 | 2022-08-24 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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7PSF
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7PSE
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![BU of 7pse by Molmil](/molmil-images/mine/7pse) | Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin | 分子名称: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2021-09-23 | 公開日 | 2022-10-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity Acs Cent.Sci., 2023
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7Q14
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8QNZ
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![BU of 8qnz by Molmil](/molmil-images/mine/8qnz) | Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem | 分子名称: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ... | 著者 | Zhou, Q, He, Y, Jin, Y. | 登録日 | 2023-09-27 | 公開日 | 2023-11-08 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity. Acs Cent.Sci., 9, 2023
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4PI0
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4PHZ
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