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3KTD
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BU of 3ktd by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE PREPHENATE DEHYDROGENASE (CGL0226) FROM CORYNEBACTERIUM GLUTAMICUM ATCC 13032 AT 2.60 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Prephenate dehydrogenase
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-24
公開日2010-02-02
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of Prephenate dehydrogenase (NP_599479.1) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 2.60 A resolution
To be published
6ZPO
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BU of 6zpo by Molmil
bovine ATP synthase monomer state 1 (combined)
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Spikes, T.E, Montgomery, M.G, Walker, J.E.
登録日2020-07-09
公開日2020-09-09
最終更新日2025-10-01
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structure of the dimeric ATP synthase from bovine mitochondria.
Proc.Natl.Acad.Sci.USA, 117, 2020
7WSU
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BU of 7wsu by Molmil
Cryo-EM structure of the barley Yellow stripe 1 transporter in complex with Fe(III)-PDMA
分子名称: (2~{S})-1-[(3~{S})-3-[[(3~{S})-3,4-bis(oxidanyl)-4-oxidanylidene-butyl]amino]-4-oxidanyl-4-oxidanylidene-butyl]pyrrolidine-2-carboxylic acid, CHOLESTEROL HEMISUCCINATE, FE (III) ION, ...
著者Yamagata, A.
登録日2022-02-01
公開日2022-11-30
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Uptake mechanism of iron-phytosiderophore from the soil based on the structure of yellow stripe transporter.
Nat Commun, 13, 2022
5KGK
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BU of 5kgk by Molmil
Crystal structure of PIM1 with inhibitor: 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine
分子名称: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, SULFATE ION, ...
著者Ferguson, A.D.
登録日2016-06-13
公開日2017-08-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structure of PIM1 in complex with inhibitor
To Be Published
7OL4
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BU of 7ol4 by Molmil
Mouse contactin-1 neurofascin-155 immunoglobulin domains adhesion complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, Neurofascin, ...
著者Chataigner, L.M.P, Janssen, B.J.C.
登録日2021-05-19
公開日2022-12-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (4.8 Å)
主引用文献Structural insights into the contactin 1 - neurofascin 155 adhesion complex.
Nat Commun, 13, 2022
8TAN
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BU of 8tan by Molmil
CryoEM structure of MFRV-VILP bound to IGF1Rzip
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, Insulin-like growth factor, ...
著者Kirk, N.S.
登録日2023-06-27
公開日2024-01-17
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.05 Å)
主引用文献A viral insulin-like peptide inhibits IGF-1 receptor phosphorylation and regulates IGF1R gene expression.
Mol Metab, 80, 2024
6EJ8
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BU of 6ej8 by Molmil
Human Xylosyltransferase 1 in complex with peptide QEEEGSGGGQGG
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Protein AMBP, ...
著者Briggs, D.C, Hohenester, E.
登録日2017-09-20
公開日2018-05-02
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structural Basis for the Initiation of Glycosaminoglycan Biosynthesis by Human Xylosyltransferase 1.
Structure, 26, 2018
9BLL
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BU of 9bll by Molmil
Cryo-EM of RBD(EG5.1)/1301B7 Fab Complex
分子名称: 1301B7 Heavy Chain, 1301B7 Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Walter, M.R, Green, T.J.
登録日2024-04-30
公開日2025-03-12
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Potent neutralization by a RBD antibody with broad specificity for SARS-CoV-2 JN.1 and other variants.
Npj Viruses, 2, 2024
7SX6
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BU of 7sx6 by Molmil
Crystal structure of broadly neutralizing antibody N49P9.3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ...
著者Tolbert, W.D, Pazgier, M.
登録日2021-11-22
公開日2022-11-30
最終更新日2025-01-22
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Crystal structure of broadly neutralizing antibody N49P9.3 Fab in complex with HIV-1 Clade A/E strain 93TH057 gp120 core
To Be Published
7LRM
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BU of 7lrm by Molmil
Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ...
著者Hoang, A, Ruiz, F.X, Arnold, E.
登録日2021-02-16
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing.
Drug Discov Today, 27, 2022
6T8P
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BU of 6t8p by Molmil
HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ...
著者Blaesse, M, Venalainen, J.
登録日2019-10-24
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
6YJU
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BU of 6yju by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP and biantennary pentasaccharide M592
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
著者Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
登録日2020-04-04
公開日2020-08-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
5MY8
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BU of 5my8 by Molmil
Crystal structure of SRPK1 in complex with SPHINX31
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2017-01-25
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease.
ACS Chem. Biol., 12, 2017
8K5H
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BU of 8k5h by Molmil
Structure of the SARS-CoV-2 BA.1 spike with UT28-RD
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Chen, L, Kita, S, Anraku, Y, Maenaka, K.
登録日2023-07-21
公開日2023-12-27
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
5MS9
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BU of 5ms9 by Molmil
Solution structure of Human Fibrillin-1 EGF2-EGF3-Hybrid1-cbEGF1 four domain fragment
分子名称: CALCIUM ION, Fibrillin-1
著者Robertson, I.B, Redfield, C, Handford, P.A.
登録日2017-01-01
公開日2017-08-09
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献The N-Terminal Region of Fibrillin-1 Mediates a Bipartite Interaction with LTBP1.
Structure, 25, 2017
7ZUV
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BU of 7zuv by Molmil
Crystal structure of Chlamydomonas reinhardtii chloroplastic sedoheptulose-1,7-bisphosphatase in reducing conditions
分子名称: FBPase domain-containing protein, SULFATE ION
著者Le Moigne, T, Robert, G.Q, Lemaire, S.D, Henri, J.
登録日2022-05-13
公開日2023-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Characterization of chloroplast ribulose-5-phosphate-3-epimerase from the microalga Chlamydomonas reinhardtii.
Plant Physiol., 194, 2024
6EQJ
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BU of 6eqj by Molmil
Crystal Structure of Human Glycogenin-1 (GYG1) Tyr195pIPhe mutant, apo form
分子名称: 1,2-ETHANEDIOL, Glycogenin-1
著者Bailey, H.J, Kopec, J, Bilyard, M.K, Bezerra, G.A, Seo Lee, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Davis, B.G, Yue, W.W.
登録日2017-10-13
公開日2017-12-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Palladium-mediated enzyme activation suggests multiphase initiation of glycogenesis.
Nature, 563, 2018
5JRN
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BU of 5jrn by Molmil
Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
分子名称: Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside
著者Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
登録日2016-05-06
公開日2017-05-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Structural and functional characterization of a highly stable endo-beta-1,4-xylanase from Fusarium oxysporum and its development as an efficient immobilized biocatalyst.
Biotechnol Biofuels, 9, 2016
3KSP
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BU of 3ksp by Molmil
Crystal structure of a putative ca/calmodulin-dependent kinase ii association domain (exig_1688) from exiguobacterium sibiricum 255-15 at 2.59 A resolution
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Calcium/calmodulin-dependent kinase II association domain
著者Joint Center for Structural Genomics (JCSG)
登録日2009-11-23
公開日2009-12-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of Calcium/calmodulin-dependent kinase II association domain (YP_001814158.1) from EXIGUOBACTERIUM SP. 255-15 at 2.59 A resolution
To be published
9JNG
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BU of 9jng by Molmil
Crystal Structure of SME-1 E166A mutant with Tebipenem
分子名称: (2S,3R,4S)-4-{[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Dhankhar, K, Hazra, S.
登録日2024-09-23
公開日2025-10-01
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal Structure of SME-1 E166A mutant with Tebipenem
To Be Published
3L1U
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BU of 3l1u by Molmil
Crystal structure of Calcium-bound GmhB from E. coli.
分子名称: CALCIUM ION, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
著者Sugiman-Marangos, S.N, Junop, M.S.
登録日2009-12-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural and kinetic characterization of the LPS biosynthetic enzyme D-alpha,beta-D-heptose-1,7-bisphosphate phosphatase (GmhB) from Escherichia coli.
Biochemistry, 49, 2010
7WW4
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BU of 7ww4 by Molmil
Crystal structure of multidomain beta-1,3(4)-glucanase
分子名称: CALCIUM ION, GLYCEROL, beta-1,3(4)-glucanase
著者Jiang, Z.Q, Ma, J.W.
登録日2022-02-12
公開日2023-02-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.23006082 Å)
主引用文献Crystal structure of multidomain beta-1,3(4)-glucanase
To be published
6TR7
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BU of 6tr7 by Molmil
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]acetamide-Notum complex
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2019-12-17
公開日2020-01-08
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural characterization of melatonin as an inhibitor of the Wnt deacylase Notum.
J. Pineal Res., 68, 2020
9FL3
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BU of 9fl3 by Molmil
Crystal structure of IL-17A in complex with compound 26
分子名称: (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A
著者Rondeau, J.M, Lehmann, S, Scheufler, C.
登録日2024-06-04
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.068 Å)
主引用文献Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 67, 2024
6TKM
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BU of 6tkm by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1800)
分子名称: Tankyrase-2, ZINC ION, ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
著者Sowa, S.T, Lehtio, L.
登録日2019-11-28
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020

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