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PDB: 88675 件

5MYV
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Crystal structure of SRPK2 in complex with compound 1
分子名称: 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ...
著者Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC)
登録日2017-01-29
公開日2017-05-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 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
6XCE
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BU of 6xce by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 53
分子名称: (3S)-3-(2,4-dichlorophenyl)-N~1~-hydroxy-N~5~-(3-sulfanylpropyl)pentanediamide, Botulinum neurotoxin type A
著者Tararina, M.A, Allen, K.N.
登録日2020-06-08
公開日2020-09-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6N6U
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BU of 6n6u by Molmil
OXA-23 mutant F110A/M221A low pH form imipenem complex
分子名称: Beta-lactamase, Imipenem
著者Smith, C.A, Vakulenko, S.B.
登録日2018-11-27
公開日2018-12-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Role of the Hydrophobic Bridge in the Carbapenemase Activity of Class D beta-Lactamases.
Antimicrob. Agents Chemother., 63, 2019
6WDJ
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BU of 6wdj by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Non-cognate Structure V-A1)
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Loveland, A.B, Demo, G, Korostelev, A.A.
登録日2020-03-31
公開日2020-07-01
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
5KAQ
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BU of 5kaq by Molmil
Crystal structure of broadly neutralizing Influenza A antibody 31.a.83 in complex with Hemagglutinin Hong Kong 1968.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 31.A.83 FAB HEAVY CHAIN, ANTIBODY 31.A.83 FAB LIGHT CHAIN, ...
著者Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D.
登録日2016-06-01
公開日2017-02-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.514 Å)
主引用文献Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses.
Cell, 166, 2016
8DKN
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PPARg bound to T0070907 and Co-R peptide
分子名称: 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Nuclear receptor corepressor 1 peptide, ...
著者Larsen, N.A, Tsai, J.
登録日2022-07-05
公開日2022-09-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biochemical and structural basis for the pharmacological inhibition of nuclear hormone receptor PPAR gamma by inverse agonists.
J.Biol.Chem., 298, 2022
8FAL
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BU of 8fal by Molmil
Masking thiol reactivity with thioamide-based MBPs- carbonic anhydrase II complexed with benzo[d]thiazole-2(3H)-thione
分子名称: 1,3-benzothiazole-2(3H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Kohlbrand, A.J, Seo, H.
登録日2022-11-28
公開日2023-03-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Masking thiol reactivity with thioamide, thiourea, and thiocarbamate-based MBPs.
Chem.Commun.(Camb.), 59, 2023
6VFF
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Dimer of Human Adenosine Deaminase Acting on dsRNA (ADAR2) mutant E488Q bound to dsRNA sequence derived from human GLI1 gene
分子名称: Double-stranded RNA-specific editase 1, INOSITOL HEXAKISPHOSPHATE, RNA (5-R(*GP*CP*UP*CP*GP*CP*GP*AP*UP*GP*CP*UP*(8AZ)P*GP*AP*GP*GP*GP*CP* UP*CP*UP*GP*AP*UP*AP*GP*CP*UP*AP*CP*G)-3), ...
著者Thuy-boun, A.S, Fisher, A.J, Beal, P.A.
登録日2020-01-03
公開日2020-07-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Asymmetric dimerization of adenosine deaminase acting on RNA facilitates substrate recognition.
Nucleic Acids Res., 48, 2020
6PAJ
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Structure of the SrrAB Histidine Kinase DHp-CA domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Sensor protein SrrB
著者Lopez Redondo, M.L, Marina Moreno, A.
登録日2019-06-11
公開日2020-04-22
最終更新日2020-06-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The SrrAB two-component system regulatesStaphylococcus aureuspathogenicity through redox sensitive cysteines.
Proc.Natl.Acad.Sci.USA, 117, 2020
6WF1
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Crystal Structure of Broadly Neutralizing Antibody 3I14 Bound to the Influenza A H10 Hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2 chain, ...
著者Harshbarger, W.D, Lockbaum, G.J, Deming, D.T, Attatippaholkun, N, Schiffer, C.A, Marasco, W.A.
登録日2020-04-03
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (4.19 Å)
主引用文献Unique structural solution from a V H 3-30 antibody targeting the hemagglutinin stem of influenza A viruses.
Nat Commun, 12, 2021
7QES
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human Connexin 26 at 55mm Hg PCO2, pH7.4: two masked subunits, class A
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2022-06-15
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Conformational changes and CO 2 -induced channel gating in connexin26.
Structure, 30, 2022
8U0O
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Synaptic complex of human DNA polymerase Lambda DL variant engaged on a DNA double-strand break containing an unpaired 3' primer terminus
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DNA (5'-D(*AP*CP*GP*CP*GP*GP*CP*A)-3'), ...
著者Kaminski, A.M, Pedersen, L.C, Bebenek, K, Kunkel, T.A, Chiruvella, K.K, Ramsden, D.A.
登録日2023-08-29
公開日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献DNA polymerase lambda Loop1 variant yields unexpected gain-of-function capabilities in nonhomologous end-joining.
DNA Repair (Amst), 136, 2024
7OGN
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BU of 7ogn by Molmil
Crystal structure of T2R-TTL -mebendazole complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Oliva, M.A, Bonato, F, Diaz, J.F.
登録日2021-05-07
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function.
Int J Mol Sci, 23, 2022
6MJV
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BU of 6mjv by Molmil
A consensus human beta defensin
分子名称: Human beta-defensin
著者Amero, C, Villegas-Moreno, J, Rodriguez, A, Norton, R.S, Corzo, G.
登録日2018-09-22
公開日2019-08-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Antimicrobial activity and structure of a consensus human beta-defensin and its comparison to a novel putative hBD10.
Proteins, 88, 2020
6PDP
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BU of 6pdp by Molmil
Human PIM1 bound to benzothiophene inhibitor 379
分子名称: 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ...
著者Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human PIM1
To Be Published
7TC2
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BU of 7tc2 by Molmil
Human APE1 in complex with 5-nitroindole-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ...
著者Pidugu, L.S, Pozharski, E, Drohat, A.C.
登録日2021-12-22
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
6VF3
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DNA Polymerase Mu, 8-oxorGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-01-03
公開日2021-09-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.521 Å)
主引用文献DNA Polymerase Mu, 8-oxorGTP:At Ground State Ternary Complex, 50 mM Mn2+ (15 min)
To be published
7QD1
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BU of 7qd1 by Molmil
Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the P21 space group
分子名称: Orange carotenoid-binding protein, beta,beta-caroten-4-one
著者Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
登録日2021-11-26
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
8FM5
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BU of 8fm5 by Molmil
HIV-1 gp120 complex with DY-III-065
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,3,3-trifluoropropyl (2R,3S)-2-(carbamimidamidomethyl)-3-[2-(4-chloro-3-fluoroanilino)(oxo)acetamido]-6-[(methylamino)methyl]-2,3-dihydro-1H-indole-1-carboxylate, Envelope glycoprotein gp120
著者Gong, Z, Hendrickson, W.A.
登録日2022-12-22
公開日2023-04-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Indoline CD4-mimetic compounds mediate potent and broad HIV-1 inhibition and sensitization to antibody-dependent cellular cytotoxicity.
Proc.Natl.Acad.Sci.USA, 120, 2023
6VEZ
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DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-01-03
公開日2021-09-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.875 Å)
主引用文献DNA Polymerase Mu, 8-oxorGTP:At Pre-Catalytic Ternary Complex, 20 mM Ca2+ (60 min)
To be published
6WXC
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BU of 6wxc by Molmil
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil
分子名称: 1,2-ETHANEDIOL, 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL, FORMIC ACID, ...
著者Kim, Y, Maltseva, N, Jedrzejczak, R, Welk, L, Endres, M, Chang, C, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-10
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2.
Commun Biol, 4, 2021
6VF6
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DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-01-03
公開日2021-09-01
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (960 min)
To be published
7QD0
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BU of 7qd0 by Molmil
Structure of the orange carotenoid protein from Planktothrix agardhii binding echinenone in the C2 space group
分子名称: ACETATE ION, ARGININE, GLYCEROL, ...
著者Andreeva, E.A, Hartmann, E, Schlichting, I, Colletier, J.-P.
登録日2021-11-25
公開日2022-07-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-function-dynamics relationships in the peculiar Planktothrix PCC7805 OCP1: Impact of his-tagging and carotenoid type.
Biochim Biophys Acta Bioenerg, 1863, 2022
6VF5
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DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-01-03
公開日2021-09-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献DNA Polymerase Mu, 8-oxorGTP:At Product State Ternary Complex, 50 mM Mn2+ (120 min)
To be published
6VF9
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DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Jamsen, J.A, Wilson, S.H.
登録日2020-01-03
公開日2021-09-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献DNA Polymerase Mu, 8-oxorGTP:Ct Ternary Complex, 50 mM Mg2+ (2160 min)
To be published

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件を2024-07-31に公開中

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