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PDB: 89035 件

8QXM
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Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
7AZV
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BU of 7azv by Molmil
Crystal structure of a shortened IpgC variant in complex with 4-(trifluoromethyl)benzene-1-carboximidamide
分子名称: 4-(trifluoromethyl)benzenecarboximidamide, CHLORIDE ION, Chaperone protein IpgC, ...
著者Gardonyi, M, Heine, A, Klebe, G.
登録日2020-11-17
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of a shortened IpgC variant in complex with 4-(trifluoromethyl)benzene-1-carboximidamide
To be published
6SRV
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BU of 6srv by Molmil
Structure of the arginase-2-inhibitory human antigen-binding fragment Fab C0021144
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Burschowsky, D, Addyman, A, Fiedler, S, Groves, M, Haynes, S, Seewooruthun, C, Carr, M.
登録日2019-09-06
公開日2020-06-10
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional characterization of C0021158, a high-affinity monoclonal antibody that inhibits Arginase 2 function via a novel non-competitive mechanism of action.
Mabs, 12
7RBJ
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BU of 7rbj by Molmil
Human DNA polymerase beta crosslinked complex, 30 s Ca to Mg exchange
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ...
著者Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
5MAY
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BU of 5may by Molmil
STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 2-Thiophenesulfonamide-N-(beta-L-fucopyranosyl methyl)
分子名称: CALCIUM ION, Fucose-binding lectin PA-IIL, N-methyl-2-thiophenesulfonamide, ...
著者Sommer, R, Imberty, A, Titz, A, Varrot, A.
登録日2016-11-07
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Glycomimetic, Orally Bioavailable LecB Inhibitors Block Biofilm Formation of Pseudomonas aeruginosa.
J. Am. Chem. Soc., 140, 2018
4Y54
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BU of 4y54 by Molmil
Endothiapepsin in complex with fragment 56
分子名称: (2R)-(3-chlorophenyl)(hydroxy)ethanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2015-02-11
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
6O85
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BU of 6o85 by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to eukaryotic translation initiation factor 2 from Homo sapiens
分子名称: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Nguyen, H.C, Kenner, L.R, Frost, A.S.
登録日2019-03-08
公開日2019-05-15
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.03 Å)
主引用文献eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
7RBH
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BU of 7rbh by Molmil
Human DNA polymerase beta crosslinked ternary complex 2
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, CALCIUM ION, ...
著者Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ASP
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BU of 7asp by Molmil
Staphylococcus aureus 70S after 50 minutes incubation at 37C
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Cimicata, G, Bashan, A, Yonath, A.
登録日2020-10-27
公開日2021-11-17
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Staphylococcus aureus 50S after 30 minutes incubation a 37C
To Be Published
8RJZ
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BU of 8rjz by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication)
分子名称: (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ...
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-22
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
7RBL
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BU of 7rbl by Molmil
Human DNA polymerase beta crosslinked complex, 60 s Ca to Mg exchange
分子名称: 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), DNA (5'-D(*GP*TP*CP*GP*G)-3'), ...
著者Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WE0
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BU of 6we0 by Molmil
Wheat dwarf virus Rep domain complexed with a single-stranded DNA 10-mer comprising the cleavage site
分子名称: DNA (5'-D(*TP*AP*AP*TP*AP*TP*TP*AP*CP*C)-3'), MANGANESE (II) ION, Replication-associated protein
著者Tompkins, K, Litzau, L.A, Shi, K, Nelson, A, Evans III, R.L, Gordon, W.R.
登録日2020-04-01
公開日2020-12-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Molecular underpinnings of ssDNA specificity by Rep HUH-endonucleases and implications for HUH-tag multiplexing and engineering.
Nucleic Acids Res., 49, 2021
6NSY
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BU of 6nsy by Molmil
X-ray reduced Catalase 3 From N.Crassa in Cpd I state (0.263 MGy)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
著者Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
登録日2019-01-27
公開日2019-05-01
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
7RBI
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BU of 7rbi by Molmil
Human DNA polymerase beta crosslinked complex, 20 s Ca to Mg exchange
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ...
著者Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
5MEF
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BU of 5mef by Molmil
Cyanothece lipoxygenase 2 (CspLOX2) variant - L304F
分子名称: Arachidonate 15-lipoxygenase, CHLORIDE ION, FE (III) ION, ...
著者Newie, J, Neumann, P, Werner, M, Mata, R.A, Ficner, R, Feussner, I.
登録日2016-11-14
公開日2017-05-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.357 Å)
主引用文献Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Sci Rep, 7, 2017
8QXJ
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BU of 8qxj by Molmil
Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ...
著者Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
登録日2023-10-24
公開日2024-05-15
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.65 Å)
主引用文献Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
6WEZ
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BU of 6wez by Molmil
Crystal Structure of Broadly Neutralizing Antibody 3I14-D93N Mutant Bound to the Influenza A H3 Hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hemagglutinin, ...
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2024-04-03
実験手法X-RAY DIFFRACTION (3.21 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
7RBO
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BU of 7rbo by Molmil
Human DNA polymerase beta crosslinked complex, 60 min Ca to Mg exchange
分子名称: 2-deoxy-3,5-di-O-phosphono-D-erythro-pentitol, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ...
著者Kumar, A.
登録日2021-07-06
公開日2022-03-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Interlocking activities of DNA polymerase beta in the base excision repair pathway.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WEL
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BU of 6wel by Molmil
Structure of cGMP-unbound F403V/V407A mutant TAX-4 reconstituted in lipid nanodiscs
分子名称: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Cyclic nucleotide-gated cation channel, ...
著者Zheng, X, Fu, Z, Su, D, Zhang, Y, Li, M, Pan, Y, Li, H, Li, S, Grassucci, R.A, Ren, Z, Hu, Z, Li, X, Zhou, M, Li, G, Frank, J, Yang, J.
登録日2020-04-02
公開日2020-06-03
最終更新日2020-07-22
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 27, 2020
8VK2
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BU of 8vk2 by Molmil
X-ray crystal structure of human IgE 4C8 Fab
分子名称: IgE 4C8 heavy chain, IgE 4C8 light chain
著者Khatri, K, Ball, A, Smith, S.A, Champan, M.D, Pomes, A, Chruszcz, M.
登録日2024-01-08
公開日2024-06-19
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.508 Å)
主引用文献Structural analysis of human IgE monoclonal antibody epitopes on dust mite allergen Der p 2.
J.Allergy Clin.Immunol., 154, 2024
8RFN
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BU of 8rfn by Molmil
Human NOQ1 enzyme in its holo form by serial crystallography
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1
著者Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L.
登録日2023-12-13
公開日2024-05-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
5MFD
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BU of 5mfd by Molmil
Designed armadillo repeat protein YIIIM''6AII in complex with pD_(KR)5
分子名称: CALCIUM ION, Capsid decoration protein,pD_(KR)5, YIIIM''6AII
著者Hansen, S, Kiefer, J, Madhurantakam, C, Mittl, P, Plueckthun, A.
登録日2016-11-18
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of designed armadillo repeat proteins binding to peptides fused to globular domains.
Protein Sci., 26, 2017
8R99
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BU of 8r99 by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: Cyclin-dependent kinase 7, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
8R9B
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BU of 8r9b by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: Cyclin-dependent kinase 7, GLYCEROL, MAGNESIUM ION, ...
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-08-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Protein engineering enables a soakable crystal form of human CDK7 primed for high-throughput crystallography and structure-based drug design.
Structure, 32, 2024
6SX5
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BU of 6sx5 by Molmil
Full length Mutant Open-form Sodium Channel NavMs
分子名称: DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ...
著者Sula, A, Hollingworth, D, Wallace, B.A.
登録日2019-09-25
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021

224572

件を2024-09-04に公開中

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