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6N3H
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BU of 6n3h by Molmil
Crystal structure of Kelch domain of the human NS1 binding protein
分子名称: Influenza virus NS1A-binding protein
著者Zhang, K, Shang, G, Padavannil, A, Fontoura, B.M.A, Chook, Y.M.
登録日2018-11-15
公開日2018-12-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural-functional interactions of NS1-BP protein with the splicing and mRNA export machineries for viral and host gene expression.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3WMC
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BU of 3wmc by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, Beta-hexosaminidase
著者Chen, L, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.095 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
3UBX
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BU of 3ubx by Molmil
Crystal structure of the mouse CD1d-C20:2-aGalCer-L363 mAb Fab complex
分子名称: (11Z,14Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]icosa-11,14-dienamide, 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Yu, E.D, Zajonc, D.M.
登録日2011-10-25
公開日2011-11-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural basis for the recognition of C20:2-alpha GalCer by the invariant natural killer T cell receptor-like antibody L363.
J.Biol.Chem., 287, 2012
3WMB
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BU of 3wmb by Molmil
Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q1
分子名称: 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase
著者Liu, T, Zhou, Y, Chen, L, Yang, Q.
登録日2013-11-16
公開日2014-11-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
8ISO
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BU of 8iso by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1
分子名称: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Beta-lactamase
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISP
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BU of 8isp by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by cephalexin
分子名称: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISQ
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Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by ampicillin
分子名称: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISR
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BU of 8isr by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by cefaclor
分子名称: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
著者Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
登録日2023-03-21
公開日2024-05-15
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
5YR2
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BU of 5yr2 by Molmil
Structure of cpGFP66BPA
分子名称: Green fluorescent protein
著者Wang, L, Kang, F, Wang, J.
登録日2017-11-08
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Structure of cpGFP66BPA
To Be Published
8J0J
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BU of 8j0j by Molmil
AtSLAC1 8D mutant in closed state
分子名称: CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, Guard cell S-type anion channel SLAC1,Green fluorescent protein
著者Lee, Y, Lee, S.
登録日2023-04-11
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM structures of the plant anion channel SLAC1 from Arabidopsis thaliana suggest a combined activation model.
Nat Commun, 14, 2023
8J1E
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BU of 8j1e by Molmil
AtSLAC1 in open state
分子名称: CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, Guard cell S-type anion channel SLAC1,Green fluorescent protein
著者Lee, Y, Lee, S.
登録日2023-04-12
公開日2023-11-22
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.84 Å)
主引用文献Cryo-EM structures of the plant anion channel SLAC1 from Arabidopsis thaliana suggest a combined activation model.
Nat Commun, 14, 2023
8K55
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BU of 8k55 by Molmil
Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the P1 space group
分子名称: sulfur transferase
著者Nguyen, D.L, Do, H.
登録日2023-07-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterization of sulfurtransferase from Frondihabitans sp. PAMC28461.
Plos One, 19, 2024
8K57
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Crystal structure of sulfur transferase from Frondihabitans sp. PAMC28461 crystallized in the I21 space group
分子名称: sulfur transferase
著者Nguyen, D.L, Do, H.
登録日2023-07-21
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structural and functional characterization of sulfurtransferase from Frondihabitans sp. PAMC28461.
Plos One, 19, 2024
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
分子名称: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5T0M
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BU of 5t0m by Molmil
A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading
分子名称: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
著者Xu, K, Tong, L.
登録日2016-08-16
公開日2016-10-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.896 Å)
主引用文献A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5TOO
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BU of 5too by Molmil
Crystal structure of alkaline phosphatase PafA T79S, N100A, K162A, R164A mutant
分子名称: Alkaline phosphatase PafA, CHLORIDE ION, ZINC ION
著者Lyubimov, A.Y, Sunden, F, AlSadhan, I, Herschlag, D.
登録日2016-10-18
公開日2017-11-01
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.031 Å)
主引用文献Differential catalytic promiscuity of the alkaline phosphatase superfamily bimetallo core reveals mechanistic features underlying enzyme evolution.
J. Biol. Chem., 292, 2017
5O77
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Klebsiella pneumoniae OmpK35
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, OmpK35
著者van den berg, B, Pathania, M, Zahn, M.
登録日2017-06-08
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
5O79
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Klebsiella pneumoniae OmpK36
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
著者van den berg, B, Pathania, M.
登録日2017-06-08
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
5V21
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BU of 5v21 by Molmil
Crystal structure of human SETD2 SET-domain in complex with H3K36M peptide and SAM
分子名称: Histone H3K36M peptide, Histone-lysine N-methyltransferase SETD2, S-ADENOSYLMETHIONINE, ...
著者Zhang, Y, Tong, L.
登録日2017-03-02
公開日2017-03-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.415 Å)
主引用文献Molecular basis for the role of oncogenic histone mutations in modulating H3K36 methylation.
Sci Rep, 7, 2017
7CHU
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BU of 7chu by Molmil
Geobacillus virus E2 - ORF18
分子名称: Putative pectin lyase
著者Gong, Y.
登録日2020-07-06
公開日2021-04-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.008 Å)
主引用文献Structural and functional characterization of the deep-sea thermophilic bacteriophage GVE2 tailspike protein.
Int.J.Biol.Macromol., 164, 2020
2LE8
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BU of 2le8 by Molmil
The protein complex for DNA replication
分子名称: DNA replication factor Cdt1, DNA replication licensing factor MCM6
著者Liu, C, Wei, Z, Zhu, G.
登録日2011-06-14
公開日2012-12-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural insights into the Cdt1-mediated MCM2-7 chromatin loading
Nucleic Acids Res., 40, 2012
8T7I
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BU of 8t7i by Molmil
Structure of the S1CE variant of Fab F1 (FabS1CE-F1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ...
著者Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-20
公開日2023-11-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7G
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BU of 8t7g by Molmil
Structure of the CK variant of Fab F1 (FabC-F1)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CK variant of Fab F1 heavy chain, ...
著者Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-20
公開日2023-11-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
8T7F
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Structure of the S1 variant of Fab F1
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, S1 variant of Fab F1 heavy chain, S1 variant of Fab F1 light chain, ...
著者Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S.
登録日2023-06-20
公開日2023-11-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
4AF3
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Human Aurora B Kinase in complex with INCENP and VX-680
分子名称: AURORA KINASE B, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN
著者Elkins, J.M, Vollmar, M, Wang, J, Picaud, S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S.
登録日2012-01-16
公開日2012-04-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680.
J.Med.Chem., 55, 2012

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