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PDB: 1111 件

8W4S
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BU of 8w4s by Molmil
Crystal structure of PDE5A in complex with CVT-313
分子名称: 2,2'-{[6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl]azanediyl}di(ethan-1-ol), MAGNESIUM ION, ZINC ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2023-08-24
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
8W4T
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BU of 8w4t by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: 2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one, MAGNESIUM ION, ZINC ION, ...
著者Liu, J.Y, Li, M.J, Xu, Y.C.
登録日2023-08-24
公開日2023-11-22
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Drug repurposing and structure-based discovery of new PDE4 and PDE5 inhibitors.
Eur.J.Med.Chem., 262, 2023
7RGW
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Crystal structure of HERC2 DOC domain
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase HERC2
著者Liu, J, Tencer, A.H, Kutateladze, T.G.
登録日2021-07-15
公開日2022-07-20
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献The ZZ domain of HERC2 is a receptor of arginylated substrates.
Sci Rep, 12, 2022
8HOI
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Crystal structure of Bcl-2 D103Y in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
2WRD
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BU of 2wrd by Molmil
structure of H2 japan hemagglutinin
分子名称: HEMAGGLUTININ
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRH
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BU of 2wrh by Molmil
structure of H1 duck albert hemagglutinin with human receptor
分子名称: HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN, N-acetyl-alpha-neuraminic acid
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957
Proc.Natl.Acad.Sci.USA, 106, 2009
2WR3
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structure of influenza H2 duck Ontario hemagglutinin with avian receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRG
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structure of H1 1918 hemagglutinin with human receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN, ...
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WR1
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structure of influenza H2 hemagglutinin with human receptor
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, HEMAGGLUTININ, ...
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRE
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BU of 2wre by Molmil
structure of H2 japan hemagglutinin with human receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRC
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BU of 2wrc by Molmil
the structure of influenza H2 human singapore hemagglutinin
分子名称: HEMAGGLUTININ
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.706 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
8I0H
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BU of 8i0h by Molmil
Closed conformation of CTPS with dATP dUTP dGTP and DON
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CTP synthase, ...
著者Liu, J.L, Guo, C.J.
登録日2023-01-11
公開日2024-07-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of bifunctional CTP/dCTP synthase
To Be Published
2WR2
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structure of influenza H2 avian hemagglutinin with avian receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRB
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BU of 2wrb by Molmil
the structure of influenza H2 human singapore hemagglutinin with avian receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
分子名称: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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Crystal structure of Bcl2 in complex with S-10r
分子名称: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
著者Liu, J, Xu, M, Feng, Y, Liu, Y.
登録日2022-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
2WR0
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Structures of influenza H2 Hemagglutinins
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, HEMAGGLUTININ, ...
著者Liu, J, Stevens, D, Haire, L, Coombs, P, Russell, R, Gamblin, S, Skehel, J.
登録日2009-08-28
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WR5
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structure of influenza H2 duck Ontario hemagglutinin
分子名称: HEMAGGLUTININ
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WRF
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structure of H2 avian jena hemagglutinin with human receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-09-01
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2WR4
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BU of 2wr4 by Molmil
structure of influenza H2 duck Ontario hemagglutinin with human receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-29
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
8HOG
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BU of 8hog by Molmil
Crystal structure of Bcl-2 in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
8HOH
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Crystal structure of Bcl-2 G101V in complex with sonrotoclax
分子名称: Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
著者Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y.
登録日2022-12-10
公開日2024-01-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy.
Blood, 143, 2024
2WR7
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BU of 2wr7 by Molmil
the structure of influenza H2 human singapore hemagglutinin with human receptor
分子名称: HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose
著者Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J.
登録日2009-08-30
公開日2009-09-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957.
Proc.Natl.Acad.Sci.USA, 106, 2009
2YPG
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Haemagglutinin of 1968 Human H3N2 Virus in Complex with Human Receptor Analogue LSTc
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Liu, J, Xiong, X, Haire, L.F, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W.
登録日2012-10-30
公開日2012-11-07
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin.
Proc.Natl.Acad.Sci.USA, 109, 2012
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
分子名称: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Liu, J.
登録日2020-05-10
公開日2021-02-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020

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件を2024-07-17に公開中

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