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3M3M
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Crystal structure of glutathione S-transferase from Pseudomonas fluorescens [Pf-5]
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase, ...
著者Bagaria, A, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2010-03-09
公開日2010-03-16
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of glutathione S-transferase from Pseudomonas fluorescens [Pf-5]
To be Published
5IJS
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BU of 5ijs by Molmil
Crystal structure of autotaxin with orthovanadate bound as a trigonal bipyramidal intermediate analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, CALCIUM ION, ...
著者Hausmann, J, Joosten, R.P, Perrakis, A.
登録日2016-03-02
公開日2016-06-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural snapshots of the catalytic cycle of the phosphodiesterase Autotaxin.
J.Struct.Biol., 195, 2016
7CN4
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BU of 7cn4 by Molmil
Cryo-EM structure of bat RaTG13 spike glycoprotein
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Wang, X, Zhang, S, Qiao, S, Yu, J, Zeng, J, Tian, L.
登録日2020-07-30
公開日2021-03-03
最終更新日2021-03-24
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Bat and pangolin coronavirus spike glycoprotein structures provide insights into SARS-CoV-2 evolution.
Nat Commun, 12, 2021
8EPC
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BU of 8epc by Molmil
Crystal structure of human coagulation factor IXa (S195A), apo-form
分子名称: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain
著者Kolyadko, V.N, Krishnaswamy, S.
登録日2022-10-05
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8EPK
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Complex of anticoagulant RNA aptamer and human coagulation factor IXa (S195A)
分子名称: CALCIUM ION, Coagulation factor IXa heavy chain, Coagulation factor IXa light chain, ...
著者Kolyadko, V.N, Krishnaswamy, S.
登録日2022-10-05
公開日2024-07-03
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Proc.Natl.Acad.Sci.USA, 121, 2024
8PJE
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BU of 8pje by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAT
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
著者MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Hesketh, S.J, Cole, D.K, Rizkallah, P.J, Godkin, A.J.
登録日2023-06-23
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation.
Cell Rep, 43, 2024
8PJF
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Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR
分子名称: 1,2-ETHANEDIOL, HLA class II histocompatibility antigen, DR alpha chain, ...
著者MacLachlan, B.J, Wall, A, Greenshields-Watson, A.L, Cole, D.K, Rizkallah, P.J, Godkin, A.J.
登録日2023-06-23
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A targeted single mutation in influenza A virus universal epitope transforms immunogenicity and protective immunity via CD4 + T cell activation.
Cell Rep, 43, 2024
6J71
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BU of 6j71 by Molmil
HuA21-scFv in complex with the extracellular domain(ECD) of HER2
分子名称: Receptor tyrosine-protein kinase erbB-2, anti-HER2 humanized antibody HuA21, beta-D-mannopyranose, ...
著者Wang, Z, Guo, G, Cheng, B, Zhu, Z, Niu, L, Zhang, H.
登録日2019-01-16
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural insight into a matured humanized monoclonal antibody HuA21 against HER2-overexpressing cancer cells.
Acta Crystallogr D Struct Biol, 75, 2019
8QSO
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BU of 8qso by Molmil
Crystal structure of human Mcl-1 in complex with compound 1
分子名称: (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y.
登録日2023-10-10
公開日2024-02-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.106 Å)
主引用文献Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen.
J.Med.Chem., 67, 2024
6T13
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CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE
分子名称: 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M.
登録日2019-10-03
公開日2020-12-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization.
Angew.Chem.Int.Ed.Engl., 60, 2021
6T1D
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BU of 6t1d by Molmil
Pleurotus Ostreatus Lectin (POL), compelx with melibiose
分子名称: CALCIUM ION, Lectin, alpha-D-galactopyranose-(1-6)-alpha-D-glucopyranose
著者Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S.
登録日2019-10-04
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin.
Glycobiology, 30, 2020
7R6W
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BU of 7r6w by Molmil
SARS-CoV-2 spike receptor-binding domain (RBD) in complex with S2X35 Fab and S309 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
著者Snell, G, Czudnochowski, N, Hernandez, P, Nix, J.C, Croll, T.I, Corti, D, Cameroni, E, Pinto, D, Beltramello, M.
登録日2021-06-23
公開日2021-07-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Nature, 597, 2021
8RPY
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BU of 8rpy by Molmil
Escherichia coli 50S subunit in complex with the antimicrobial peptide Api137
分子名称: 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 137, ...
著者Lauer, S, Nikolay, R, Spahn, C.
登録日2024-01-17
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.64 Å)
主引用文献Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
6C6F
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BU of 6c6f by Molmil
Structure of glycolipid aGSA[26,P5p] in complex with mouse CD1d
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Zajonc, D.M, Wang, J.
登録日2018-01-18
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structure-function analysis of sphingamides
To Be Published
7U3D
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BU of 7u3d by Molmil
Structure of S. venezuelae GlgX-c-di-GMP-acarbose complex (4.6)
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Glycogen debranching enzyme GlgX
著者Schumacher, M.A.
登録日2022-02-27
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Allosteric regulation of glycogen breakdown by the second messenger cyclic di-GMP.
Nat Commun, 13, 2022
6C5M
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Structure of glycolipid aGSA[8,9] in complex with mouse CD1d
分子名称: (5R,6S,7S)-5,6-dihydroxy-N-nonyl-7-(octanoylamino)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zajonc, D.M, Wang, J.
登録日2018-01-16
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
8RPZ
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Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation I
分子名称: 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ...
著者Lauer, S, Nikolay, R, Spahn, C.
登録日2024-01-17
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
8RQ2
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BU of 8rq2 by Molmil
Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation III
分子名称: 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ...
著者Lauer, S, Nikolay, R, Spahn, C.
登録日2024-01-17
公開日2024-05-22
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
8OO1
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Wide inward-open liganded UraA in complex with a conformation-selective synthetic nanobody
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, Sy45, ...
著者Kuhn, B.T, Geertsma, E.R.
登録日2023-04-04
公開日2024-04-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Interdomain-linkers control conformational transitions in an SLC23 elevator transporter
to be published
8OMZ
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BU of 8omz by Molmil
Wide inward-open unliganded UraA in complex with a conformation-selective synthetic nanobody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DECYL-BETA-D-MALTOPYRANOSIDE, PENTAETHYLENE GLYCOL, ...
著者Kuhn, B.T, Geertsma, E.R.
登録日2023-03-31
公開日2024-04-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Interdomain-linkers control conformational transitions in an SLC23 elevator transporter
to be published
6C6C
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BU of 6c6c by Molmil
Structure of glycolipid aGSA[20,6P] in complex with mouse CD1d
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, Beta-2-microglobulin, ...
著者Zajonc, D.M, Wang, J.
登録日2018-01-18
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
6C6H
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Structure of glycolipid aGSA[8,P5m] in complex with mouse CD1d
分子名称: (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
著者Zajonc, D.M, Wang, J.
登録日2018-01-18
公開日2019-01-30
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
8ARU
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BU of 8aru by Molmil
Crystal Structure of human formylglycine generating enzyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Formylglycine-generating enzyme
著者Neumann, P, Dickmanns, A, Ficner, R, Rudolph, M.G.
登録日2022-08-17
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Crystal Structure of human formylglycine generating enzyme E130A mutant
To be published
7RFB
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Crystal structure of broadly neutralizing antibody mAb1198 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Flyak, A.I, Bjorkman, P.J.
登録日2021-07-14
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Analysis of antibodies from HCV elite neutralizers identifies genetic determinants of broad neutralization.
Immunity, 55, 2022
7RFC
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BU of 7rfc by Molmil
Crystal structure of broadly neutralizing antibody mAb1382 in complex with Hepatitis C virus envelope glycoprotein E2 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, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Flyak, A.I, Bjorkman, P.J.
登録日2021-07-14
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Analysis of antibodies from HCV elite neutralizers identifies genetic determinants of broad neutralization.
Immunity, 55, 2022

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件を2024-08-14に公開中

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