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8E7F
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Crystal structure of the autotransporter Ssp from Serratia marcescens.
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Extracellular serine protease, ...
著者Hor, L, Pilapitiya, A, Panjikar, S, Paxman, J.J, Heras, B.
登録日2022-08-23
公開日2023-03-08
最終更新日2023-03-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a subtilisin-like autotransporter passenger domain reveals insights into its cytotoxic function.
Nat Commun, 14, 2023
8DUF
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Crystal structure of Venezuelan Equine Encephalitis alphavirus (VEEV) nonstructural protein 2 (nsp2) (K741A/K767A) protease domain
分子名称: nsp2 protease domain
著者Lountos, G.T.
登録日2022-07-27
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Self-inhibited State of Venezuelan Equine Encephalitis Virus (VEEV) nsP2 Cysteine Protease: A Crystallographic and Molecular Dynamics Analysis.
J.Mol.Biol., 435, 2023
8DKZ
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Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2022-07-06
公開日2023-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
5SXY
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BU of 5sxy by Molmil
The solution NMR structure for the PqqD truncation of Methylobacterium extorquens PqqCD representing a functional and stand-alone ribosomally synthesized and post-translational modified (RiPP) recognition element (RRE)
分子名称: Bifunctional coenzyme PQQ synthesis protein C/D
著者Evans, R.L, Xia, Y, Wilmot, C.M.
登録日2016-08-10
公開日2017-05-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Nuclear Magnetic Resonance Structure and Binding Studies of PqqD, a Chaperone Required in the Biosynthesis of the Bacterial Dehydrogenase Cofactor Pyrroloquinoline Quinone.
Biochemistry, 56, 2017
8DKK
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Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-05
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DMN
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BU of 8dmn by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-08
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DK8
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BU of 8dk8 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J.
登録日2022-07-04
公開日2023-05-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DKH
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BU of 8dkh by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-05
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8ECM
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BU of 8ecm by Molmil
Crystal Structure Analysis of Acetyl-CoA acetyltransferase from Firmicutes bacterium
分子名称: Acetyl-CoA acetyltransferase
著者Seo, H.S, Dhe-Paganon, S.
登録日2022-09-02
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease.
Nat Med, 29, 2023
8DKJ
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Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-05
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8DKL
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BU of 8dkl by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-07-05
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
8E1P
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BU of 8e1p by Molmil
Crystal structure of BG505 SOSIP.v4.1-GT1.2 trimer in complex with gl-PGV20 and PGT124 Fabs
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, BG505-SOSIP.v4.1-GT1.2gp120, ...
著者Sarkar, A, Kumar, S, Wilson, I.A.
登録日2022-08-11
公開日2023-06-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.82 Å)
主引用文献Germline-targeting HIV-1 Env vaccination induces VRC01-class antibodies with rare insertions.
Cell Rep Med, 4, 2023
8E6K
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BU of 8e6k by Molmil
2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ...
著者Turner, H.L, Ozorowski, G, Ward, A.B.
登録日2022-08-22
公開日2023-08-09
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8E6J
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3H03 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
分子名称: 3H03 fragment antigen binding heavy chain, 3H03 fragment antigen binding light chain, Neuraminidase
著者Turner, H.L, Ozorowski, G, Ward, A.B.
登録日2022-08-22
公開日2023-08-09
最終更新日2023-08-23
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8DZZ
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BU of 8dzz by Molmil
Cryo-EM structure of chi dynein bound to Lis1
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Reimer, J.M, Lahiri, I, Leschziner, A.E.
登録日2022-08-08
公開日2023-08-30
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge.
Nat.Struct.Mol.Biol., 30, 2023
8E00
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BU of 8e00 by Molmil
Symmetry expansion of yeast cytoplasmic dynein-1 bound to Lis1 in the chi conformation.
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Reimer, J.M, Lahiri, I, Leschziner, A.E.
登録日2022-08-08
公開日2023-08-30
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge.
Nat.Struct.Mol.Biol., 30, 2023
8EEW
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CryoEM of the soluble OPA1 dimer from the GDP-AlFx bound helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-07
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (5.48 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8EFF
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BU of 8eff by Molmil
CryoEM of the soluble OPA1 tetramer from the GDP-AlFx bound helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-08
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (5.48 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8EFS
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BU of 8efs by Molmil
CryoEM of the soluble OPA1 tetramer from the apo helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-09
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (9.68 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8EF7
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BU of 8ef7 by Molmil
CryoEM of the soluble OPA1 dimer from the apo helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-08
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (9.68 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8EFT
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BU of 8eft by Molmil
CryoEM of the soluble OPA1 interfaces from the apo helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-09
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (9.68 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8ELC
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Human JNK2 bound to covalent inhibitor YL2056
分子名称: 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9
著者Li, L, Gurbani, D, Westover, K.D.
登録日2022-09-23
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.072 Å)
主引用文献Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1.
J.Med.Chem., 66, 2023
8EFR
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BU of 8efr by Molmil
CryoEM of the soluble OPA1 interfaces with GDP-AlFx bound from the helical assembly on a lipid membrane
分子名称: Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
登録日2022-09-09
公開日2023-06-28
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (5.48 Å)
主引用文献OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023
8EM8
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BU of 8em8 by Molmil
Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
分子名称: UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ...
著者Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2022-09-27
公開日2022-11-02
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Activity Relationship of a Pyrrole Based Series of PfPKG Inhibitors as Anti-Malarials.
J.Med.Chem., 67, 2024
8ETR
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BU of 8etr by Molmil
CryoEM Structure of NLRP3 NACHT domain in complex with G2394
分子名称: (6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Murray, J.M, Johnson, M.C.
登録日2022-10-17
公開日2022-11-02
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Overcoming Preclinical Safety Obstacles to Discover ( S )- N -((1,2,3,5,6,7-Hexahydro- s -indacen-4-yl)carbamoyl)-6-(methylamino)-6,7-dihydro-5 H -pyrazolo[5,1- b ][1,3]oxazine-3-sulfonamide (GDC-2394): A Potent and Selective NLRP3 Inhibitor.
J.Med.Chem., 65, 2022

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