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8WED
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BU of 8wed by Molmil
Crystal structure of Arabidopsis thaliana MIK2 ectodomain in complex with BAK1 ectodomain and Fusarium oxysporum SCOOPL
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
4BA6
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BU of 4ba6 by Molmil
High Resolution structure of the C-terminal family 65 Carbohydrate Binding Module (CBM65B) of endoglucanase Cel5A from Eubacterium cellulosolvens
分子名称: Endoglucanase cel5A, GLYCEROL
著者Venditto, I, Luis, A.S, Basle, A, Temple, M, Ferreira, L.M.A, Fontes, C.M.G.A, Gilbert, H.J, Najmudin, S.
登録日2012-09-11
公開日2012-12-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Understanding how noncatalytic carbohydrate binding modules can display specificity for xyloglucan.
J. Biol. Chem., 288, 2013
6AC0
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BU of 6ac0 by Molmil
Crystal structure of TRADD death domain GlcNAcylated by EPEC effector NleB
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Tumor necrosis factor receptor type 1-associated DEATH domain protein
著者Ding, J, Shao, F.
登録日2018-07-24
公開日2019-05-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.449 Å)
主引用文献Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector.
Mol.Cell, 74, 2019
6AC5
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BU of 6ac5 by Molmil
Crystal structure of RIPK1 death domain GlcNAcylated by EPEC effector NleB
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Receptor-interacting serine/threonine-protein kinase 1, SULFATE ION
著者Ding, J, Shao, F.
登録日2018-07-25
公開日2019-05-01
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector.
Mol.Cell, 74, 2019
6ACI
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BU of 6aci by Molmil
Crystal structure of EPEC effector NleB in complex with FADD death domain
分子名称: FAS-associated death domain protein, MANGANESE (II) ION, T3SS secreted effector NleB homolog, ...
著者Ding, J, Shao, F.
登録日2018-07-26
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural and Functional Insights into Host Death Domains Inactivation by the Bacterial Arginine GlcNAcyltransferase Effector.
Mol.Cell, 74, 2019
8WCS
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BU of 8wcs by Molmil
Cryo-EM structure of Cas13h1-crRNA binary complex
分子名称: 66-nt crRNA, Cas13h1, MAGNESIUM ION
著者Zhang, C.
登録日2023-09-13
公開日2024-05-22
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular mechanism for target RNA recognition and cleavage of Cas13h.
Nucleic Acids Res., 52, 2024
8WCE
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BU of 8wce by Molmil
Cryo-EM structure of a protein-RNA complex
分子名称: MAGNESIUM ION, RNA (31-MER), RNA (66-MER), ...
著者Li, Z.
登録日2023-09-11
公開日2024-05-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Molecular mechanism for target RNA recognition and cleavage of Cas13h.
Nucleic Acids Res., 52, 2024
7RA0
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BU of 7ra0 by Molmil
LC3A in complex with Fragment 2-10
分子名称: (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9W
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BU of 7r9w by Molmil
LC3A in complex with Fragment 1-1
分子名称: 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
7R9Z
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BU of 7r9z by Molmil
LC3A in complex with Fragment 2-3
分子名称: (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A
著者Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M.
登録日2021-06-29
公開日2022-01-12
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
8WEB
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BU of 8web by Molmil
Crystal structure of Arabidopsis thaliana MIK2 ectodomain
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, MDIS1-interacting receptor like kinase 2
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
8WEF
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BU of 8wef by Molmil
Crystal structure of Brassica napus MIK2 ectodomain in complex with Fusarium oxysporum SCOOPL
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
8WEI
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BU of 8wei by Molmil
Crystal structure of Brassica napus MIK2 ectodomain (N393D mutant)
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
8WEG
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BU of 8weg by Molmil
Crystal structure of Brassica napus MIK2 ectodomain
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
8WEH
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BU of 8weh by Molmil
Crystal structure of Brassica napus MIK2 ectodomain (N393A mutant)
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
8WEE
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BU of 8wee by Molmil
Crystal structure of Arabidopsis thaliana MIK2 ectodomain in complex with SCOOP12
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wan, L.H, Hu, Y.X, Wu, H.M.
登録日2023-09-17
公開日2024-11-06
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Mechanistic study of SCOOPs recognition by MIK2-BAK1 complex reveals the role of N-glycans in plant ligand-receptor-coreceptor complex formation.
Nat.Plants, 10, 2024
6B4U
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BU of 6b4u by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 7-(2-methylphenyl)-1-[2-(morpholin-4-yl)ethyl]-3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Judge, R.A, Souers, A.J.
登録日2017-09-27
公開日2017-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
6B4L
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BU of 6b4l by Molmil
Crystal structure of MCL-1 in complex with a BIM competitive inhibitor
分子名称: 3-{3-[(naphthalen-1-yl)oxy]propyl}-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
著者Judge, R.A, Souers, A.J.
登録日2017-09-26
公開日2017-10-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
7END
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BU of 7end by Molmil
Crystal structure of SARS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: Replicase polyprotein 1a, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN9
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BU of 7en9 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-02
分子名称: 3C-like proteinase, 5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7EN8
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BU of 7en8 by Molmil
Crystal structure of SARS-CoV-2 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: 3C-like proteinase, GLYCEROL, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
7ENE
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BU of 7ene by Molmil
Crystal structure of MERS-CoV 3CLpro in complex with the non-covalent inhibitor WU-04
分子名称: ORF1a protein, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
著者Hou, N, Peng, C, Hu, Q.
登録日2021-04-16
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Development of Highly Potent Noncovalent Inhibitors of SARS-CoV-2 3CLpro.
Acs Cent.Sci., 9, 2023
6KTW
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BU of 6ktw by Molmil
structure of EanB with hercynine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.931 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KU2
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BU of 6ku2 by Molmil
The structure of EanB/Y353A complex with ergothioneine covalent linked with persulfide Cys412
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-30
公開日2020-08-26
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020
6KTZ
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BU of 6ktz by Molmil
The complex structure of EanB/C412S with hercynine
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ...
著者Wu, L, Liu, P.H, Zhou, J.H.
登録日2019-08-29
公開日2020-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis
Acs Catalysis, 10, 2020

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