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4LVD
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BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVB
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BU of 4lvb by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
6BZ3
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BU of 6bz3 by Molmil
Complex structure of FAK FAT domain and DCC P3 motif
分子名称: CALCIUM ION, Focal adhesion kinase 1, Netrin receptor DCC
著者Xu, S, Wang, J.-H.
登録日2017-12-22
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.497 Å)
主引用文献The binding of DCC-P3 motif and FAK-FAT domain mediates the initial step of netrin-1/DCC signaling for axon attraction.
Cell Discov, 4, 2018
4LV9
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BU of 4lv9 by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4LVF
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BU of 4lvf by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
4G74
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BU of 4g74 by Molmil
Crystal structure of NDH with Quinone
分子名称: 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE, FLAVIN-ADENINE DINUCLEOTIDE, FRAGMENT OF TRITON X-100, ...
著者Li, W, Feng, Y, Ge, J, Yang, M.
登録日2012-07-19
公開日2012-10-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
4HND
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BU of 4hnd by Molmil
Crystal structure of the catalytic domain of Selenomethionine substituted human PI4KIIalpha in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha
著者Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F.
登録日2012-10-19
公開日2014-04-09
最終更新日2016-12-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha.
Nat Commun, 5, 2014
4HNE
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BU of 4hne by Molmil
Crystal structure of the catalytic domain of human type II alpha Phosphatidylinositol 4-kinase (PI4KIIalpha) in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha
著者Zhou, Q, Zhai, Y, Zhang, K, Chen, C, Sun, F.
登録日2012-10-19
公開日2014-04-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Molecular insights into the membrane-associated phosphatidylinositol 4-kinase II alpha.
Nat Commun, 5, 2014
7KHU
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BU of 7khu by Molmil
Crystal structure of the carbohydrate-binding domain VP8* of human P[4] rotavirus strain BM5265 in complex with LNDFH I
分子名称: Outer capsid protein VP4, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Xu, S, Stuckert, M, Burnside, R, McGinnis, K, Jiang, X, Kennedy, M.A.
登録日2020-10-22
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
7KI5
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BU of 7ki5 by Molmil
Crystal structure of P[6] rotavirus vp8* in complex with LNT
分子名称: Capsid protein, GLYCEROL, TRIETHYLENE GLYCOL, ...
著者Xu, S, Kennedy, M.A.
登録日2020-10-23
公開日2021-08-18
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens.
Proc.Natl.Acad.Sci.USA, 118, 2021
4NSD
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BU of 4nsd by Molmil
Crystal Structure of CBARA1 in the Ca2+ Binding Form
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Wang, L, Yang, X, Li, S, Shen, Y.
登録日2013-11-28
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural and mechanistic insights into MICU1 regulation of mitochondrial calcium uptake.
Embo J., 33, 2014
4GHU
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BU of 4ghu by Molmil
Crystal structure of TRAF3/Cardif
分子名称: Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 3
著者Zhang, P.
登録日2012-08-08
公開日2012-11-28
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5
Sci.Signal., 5, 2012
8K5N
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BU of 8k5n by Molmil
Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy
分子名称: 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide, Programmed cell death 1 ligand 1
著者Cheng, Y, Xiao, Y.B.
登録日2023-07-22
公開日2024-01-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.
J.Med.Chem., 66, 2023
7M95
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BU of 7m95 by Molmil
Bovine sigma-2 receptor bound to Z1241145220
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7MFI
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BU of 7mfi by Molmil
Bovine sigma-2 receptor bound to cholesterol
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
著者Alon, A, Kruse, A.C.
登録日2021-04-09
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M94
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BU of 7m94 by Molmil
Bovine sigma-2 receptor bound to Roluperidone
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M96
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BU of 7m96 by Molmil
Bovine sigma-2 receptor bound to Z4857158944
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ...
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7M93
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BU of 7m93 by Molmil
Bovine sigma-2 receptor bound to PB28
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2
著者Alon, A, Kruse, A.C.
登録日2021-03-30
公開日2021-12-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
7MU6
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BU of 7mu6 by Molmil
Ask1 bound to compound 28
分子名称: 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Chodaparambil, J.V, Marcotte, D.J.
登録日2021-05-14
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.165 Å)
主引用文献Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo.
J.Med.Chem., 64, 2021
5XMM
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BU of 5xmm by Molmil
FLA-E*01801-167W/S
分子名称: Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain
著者Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C.
登録日2017-05-15
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides
J. Virol., 92, 2018
6KUJ
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BU of 6kuj by Molmil
Structure of influenza D virus polymerase bound to cRNA promoter in class 1
分子名称: 3'-cRNA promoter, 5'-cRNA promoter, Polymerase 3, ...
著者Peng, Q, Peng, R, Qi, J, Gao, G.F, Shi, Y.
登録日2019-09-02
公開日2019-10-02
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of influenza D virus polymerase bound to cRNA promoter in Mode A conformation
NAT NANOTECHNOL, 2019
5XMF
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BU of 5xmf by Molmil
Crystal structure of feline MHC class I for 2,1 angstrom
分子名称: Beta-2-microglobulin, Gag polyprotein, MHC class I antigen alpha chain
著者Liang, R, Sun, Y, Wang, J, Wu, Y, Zhang, N, Xia, C.
登録日2017-05-15
公開日2017-12-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Major Histocompatibility Complex Class I (FLA-E*01801) Molecular Structure in Domestic Cats Demonstrates Species-Specific Characteristics in Presenting Viral Antigen Peptides
J. Virol., 92, 2018
4NSC
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BU of 4nsc by Molmil
Crystal Structure of CBARA1 in the Apo-form
分子名称: Calcium uptake protein 1, mitochondrial
著者Wang, L, Yang, X, Li, S, Shen, Y.
登録日2013-11-28
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural and mechanistic insights into MICU1 regulation of mitochondrial calcium uptake.
Embo J., 33, 2014
2RHP
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BU of 2rhp by Molmil
The Thrombospondin-1 Polymorphism Asn700Ser Associated with Cornoary Artery Disease Causes Local and Long-Ranging Changes in Protein Structure
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, CALCIUM ION, ...
著者Carlson, C.B, Keck, J.L, Mosher, D.F.
登録日2007-10-09
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Influences of the N700S Thrombospondin-1 Polymorphism on Protein Structure and Stability.
J.Biol.Chem., 283, 2008
7C1D
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BU of 7c1d by Molmil
Cryo-EM structure of the hE46K cross-seeded hWT alpha-synuclein fibril
分子名称: Alpha-synuclein
著者Sun, Y.P, Zhao, K, Liu, C.
登録日2020-05-03
公開日2021-05-05
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Wild-type alpha-synuclein inherits the structure and exacerbated neuropathology of E46K mutant fibril strain by cross-seeding.
Proc.Natl.Acad.Sci.USA, 118, 2021

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