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8JM1
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Endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L331A from Prunus communis complexed with 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde from the cyanohydrin cleavage
分子名称: (R)-mandelonitrile lyase, 1,2-ETHANEDIOL, 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde, ...
著者Zheng, Y.-C, Li, F.-L, Yu, H.-L, Xu, J.-H.
登録日2023-06-04
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Endo-deglycosylated hydroxynitrile lyase isozyme 5 mutant L331A from Prunus communis complexed with 2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde from the cyanohydrin cleavage
To Be Published
8CBD
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BU of 8cbd by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-01-25
公開日2024-02-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
6FWQ
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Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose
分子名称: Glycosyl hydrolase family 71, SODIUM ION, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ...
著者Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2018-03-07
公開日2019-09-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
6MOJ
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Dimeric DARPin A_angle_R5 complex with EpoR
分子名称: D(-)-TARTARIC ACID, Dimeric DARPin ACR5 (A_angle_R5), Erythropoietin receptor, ...
著者Jude, K.M, Mohan, K, Garcia, K.C.
登録日2018-10-04
公開日2019-06-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.431 Å)
主引用文献Topological control of cytokine receptor signaling induces differential effects in hematopoiesis.
Science, 364, 2019
5LJF
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BU of 5ljf by Molmil
Crystal structure of the endo-1,4-glucanase RBcel1 E135A with cellotriose
分子名称: Endoglucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Dutoit, R, Collet, L, Galleni, M, Bauvois, C.
登録日2016-07-18
公開日2017-08-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.734396 Å)
主引用文献Glycoside hydrolase family 5: structural snapshots highlighting the involvement of two conserved residues in catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
7T72
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BU of 7t72 by Molmil
Epitope-based selection of SARS-CoV-2 neutralizing antibodies from convalescent patients
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, Antibody light chain, ...
著者Langley, D.B, Christ, D, Rouet, R.
登録日2021-12-14
公開日2022-12-21
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.177 Å)
主引用文献Broadly neutralizing SARS-CoV-2 antibodies through epitope-based selection from convalescent patients.
Nat Commun, 14, 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
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
6YK3
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BU of 6yk3 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound ( S) - 1- [2'-Amino-2'-carboxyethyl]-5 ,7- dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 1.20A
分子名称: (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione, AMMONIUM ION, CHLORIDE ION, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
8CY7
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BU of 8cy7 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
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, Spike glycoprotein, ...
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8T8S
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BU of 8t8s by Molmil
Sortilin-PGRN peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Paragranulin peptide, ...
著者Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
登録日2023-06-23
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structural studies of Sortilin-PGRN peptide complex
To Be Published
8T8R
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BU of 8t8r by Molmil
Sortilin-PGRN peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Paragranulin peptide, Sortilin, ...
著者Srivastava, D.B, Srivastava, A, Cherf, G.M, Low, L.Y, Kannan, G.
登録日2023-06-23
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structural studies of Sortilin-PGRN peptide complex
To Be Published
7TLY
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BU of 7tly by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant (RBD + S309 Local Refinement)
分子名称: S309 Fab heavy chain, S309 Fab light chain, Spike glycoprotein, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
8D4I
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BU of 8d4i by Molmil
Structure of Y430F D-ornithine/D-lysine decarboxylase complex with putrescine
分子名称: 1,2-ETHANEDIOL, 1,4-DIAMINOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Phillips, R.S, Nguyen Hoang, K.N.
登録日2022-06-02
公開日2022-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
8DGG
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BU of 8dgg by Molmil
Structure of glycosylated LAG-3 homodimer
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R.
登録日2022-06-23
公開日2022-08-17
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (3.78 Å)
主引用文献Structural insights reveal interplay between LAG-3 homodimerization, ligand binding, and function.
Proc.Natl.Acad.Sci.USA, 121, 2024
7TM0
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BU of 7tm0 by Molmil
SARS-CoV-2 S B.1.1.529 Omicron variant + S309 + S2L20 Global Refinement
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, S2L20 Fab heavy chain, ...
著者McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2022-01-19
公開日2022-02-02
最終更新日2022-03-09
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of SARS-CoV-2 Omicron immune evasion and receptor engagement.
Science, 375, 2022
6YK5
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BU of 6yk5 by Molmil
Structure of the AMPA receptor GluA2o ligand-binding domain (S1S2J) in complex with the compound (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]- pyrimidine-2,4(1H,3H)-dione at resolution 1.15A
分子名称: (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione, CHLORIDE ION, GLYCEROL, ...
著者Frydenvang, K, Kastrup, J.S.
登録日2020-04-05
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Ionotropic Glutamate Receptor GluA2 in Complex with Bicyclic Pyrimidinedione-Based Compounds: When Small Compound Modifications Have Distinct Effects on Binding Interactions.
Acs Chem Neurosci, 11, 2020
8D2Y
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BU of 8d2y by Molmil
Y430F mutant of D-ornithine/D-lysine decarboxylase
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
著者Phillips, R.S, Nguyen Hoang, K.N.
登録日2022-05-31
公開日2022-11-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献The Y430F mutant of Salmonella d-ornithine/d-lysine decarboxylase has altered stereospecificity and a putrescine allosteric activation site.
Arch.Biochem.Biophys., 731, 2022
6YAT
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BU of 6yat by Molmil
Crystal structure of STK4 (MST1) in complex with compound 6
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ...
著者Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-03-13
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia.
J.Med.Chem., 65, 2022
6DKS
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BU of 6dks by Molmil
Structure of the Rbpj-SHARP-DNA Repressor Complex
分子名称: DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Maltose/maltodextrin-binding periplasmic protein, ...
著者Kovall, R.A, VanderWielen, B.D, Yuan, Z.
登録日2018-05-30
公開日2019-01-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structural and Functional Studies of the RBPJ-SHARP Complex Reveal a Conserved Corepressor Binding Site.
Cell Rep, 26, 2019
8CWJ
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Fab arms of antibodies 4C12-B12 and CR3022 bound to pangolin receptor binding domain (pRBD)
分子名称: 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, CHLORIDE ION, ...
著者Langley, D.B, Christ, D.
登録日2022-05-19
公開日2023-05-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.449 Å)
主引用文献Neutralization of CoV-2 omicron lineages by affinity-matured class 5 antibodies
To Be Published
7QEQ
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BU of 7qeq by Molmil
human Connexin 26 dodecamer at 90mmHg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QER
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BU of 7qer by Molmil
human Connexin 26 dodecamer at 55mm Hg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
7QET
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BU of 7qet by Molmil
human Connexin 26 dodecamer at 20mmHg PCO2, pH7.4
分子名称: DODECYL-BETA-D-MALTOSIDE, Gap junction beta-2 protein, PHOSPHATIDYLETHANOLAMINE
著者Brotherton, D.H, Cameron, A.D, Savva, C.G, Ragan, T.J.
登録日2021-12-03
公開日2022-03-30
最終更新日2022-05-18
実験手法ELECTRON MICROSCOPY (2.1 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
8CXI
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BU of 8cxi by Molmil
Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
分子名称: A11 heavy chain, A11 light chain, Ankyrin repeat family A protein 2,Envelope E protein, ...
著者Liu, W, Zhang, X.K, Gong, D.Y, Dai, X.H, Sharma, A, Zhang, T.H, Rey, F, Zhou, Z.H.
登録日2022-05-21
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Zika Virus in Complex with Antibodies Targeting E Dimer Epitopes and Basis for Neutralization Efficacy
To Be Published
7QPN
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Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor and AMP-PNP
分子名称: 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C)
著者Howard, T.D, Ogg, D.T.
登録日2022-01-05
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase gamma Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode.
J.Med.Chem., 65, 2022

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件を2024-09-25に公開中

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