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6B75
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BU of 6b75 by Molmil
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
6ATB
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BU of 6atb by Molmil
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
6AZJ
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BU of 6azj by Molmil
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
6B76
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BU of 6b76 by Molmil
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
6T8W
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BU of 6t8w by Molmil
Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid
分子名称: 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ...
著者Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
登録日2019-10-25
公開日2020-03-04
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
8FSL
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BU of 8fsl by Molmil
Human Mesothelin bound to a neutralizing VH domain antibody
分子名称: Mesothelin, VH domain
著者Calero, G.
登録日2023-01-10
公開日2024-05-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Preclinical assessment of a novel human antibody VH domain targeting mesothelin as an antibody-drug conjugate.
Mol Ther Oncolytics, 31, 2023
8DI5
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BU of 8di5 by Molmil
Cryo-EM structure of SARS-CoV-2 Beta (B.1.351) spike protein in complex with VH domain F6 (focused refinement of RBD and VH F6)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, VH F6
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Subramaniam, S.
登録日2022-06-28
公開日2022-08-24
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献Potent and broad neutralization of SARS-CoV-2 variants of concern (VOCs) including omicron sub-lineages BA.1 and BA.2 by biparatopic human VH domains.
Iscience, 25, 2022
7MEZ
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BU of 7mez by Molmil
Structure of the phosphoinositide 3-kinase p110 gamma (PIK3CG) p101 (PIK3R5) complex
分子名称: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphoinositide 3-kinase regulatory subunit 5
著者Burke, J.E, Dalwadi, U, Rathinaswamy, M.K, Yip, C.K.
登録日2021-04-08
公開日2021-07-14
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Structure of the phosphoinositide 3-kinase (PI3K) p110 gamma-p101 complex reveals molecular mechanism of GPCR activation.
Sci Adv, 7, 2021
6RMN
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BU of 6rmn by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-05-07
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SHX
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BU of 6shx by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-08-08
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SNS
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BU of 6sns by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-08-27
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
6SNV
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BU of 6snv by Molmil
DNA mismatch repair proteins MLH1 and MLH3
分子名称: DNA mismatch repair protein MLH1, DNA mismatch repair protein MLH3, ZINC ION
著者Dai, J, Chervy, P, Legrand, P, Ropars, V, Charbonnier, J.B.
登録日2019-08-27
公開日2021-05-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of the dual role of the Mlh1-Mlh3 endonuclease in MMR and in meiotic crossover formation.
Proc.Natl.Acad.Sci.USA, 118, 2021
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件を2025-07-09に公開中

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