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PDB: 53012 件

7O1O
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Complex-B bound [FeFe]-hydrogenase maturase HydE fromT. Maritima (Auxiliary cluster deleted variant)
分子名称: CARBON MONOXIDE, CHLORIDE ION, CYANIDE ION, ...
著者Rohac, R, Martin, L, Liu, L, Basu, D, Tao, L, Britt, R.D, Rauchfuss, T, Nicolet, Y.
登録日2021-03-30
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal Structure of the [FeFe]-Hydrogenase Maturase HydE Bound to Complex-B.
J.Am.Chem.Soc., 143, 2021
6N78
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Structure of the human JAK1 kinase domain with compound 21
分子名称: GLYCEROL, N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
8TUG
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BU of 8tug by Molmil
Cryo-EM structure of CPD-stalled Pol II in complex with Rad26 (engaged state)
分子名称: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
著者Sarsam, R.D, Lahiri, I, Leschziner, A.E.
登録日2023-08-16
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Elf1 promotes Rad26's interaction with lesion-arrested Pol II for transcription-coupled repair.
Proc.Natl.Acad.Sci.USA, 121, 2024
6N7A
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Structure of the human JAK1 kinase domain with compound 39
分子名称: GLYCEROL, N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-2-methyl-2H-pyrazolo[4,3-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Brown, D.
登録日2018-11-27
公開日2019-04-24
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a class of highly potent Janus Kinase 1/2 (JAK1/2) inhibitors demonstrating effective cell-based blockade of IL-13 signaling.
Bioorg.Med.Chem.Lett., 29, 2019
8FG2
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SARS-CoV-2 Nucleocapsid dimer structure determined from COVID-19 patients
分子名称: Nucleoprotein
著者Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F.
登録日2022-12-12
公開日2023-01-11
最終更新日2023-10-11
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
6VDJ
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BU of 6vdj by Molmil
Crystal structure of ancestral apicomplexan lactate dehydrogenase with sulfate and NADH4.
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SULFATE ION, lactate dehydrogenase
著者Theobald, D.L, Wirth, J.D, Classen, S, Perlmutter, N.
登録日2019-12-27
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of Bifunctionality in an Ancestral Apicomplexan Malate/Lactate Dehydrogenase
To Be Published
6X6S
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BU of 6x6s by Molmil
Cryo-EM Structure of the Helicobacter pylori OMC
分子名称: Cag pathogenicity island protein (Cag7), Type IV secretion system apparatus protein Cag3, Type IV secretion system apparatus protein CagM, ...
著者Sheedlo, M.J, Chung, J.M, Sawhney, N, Durie, C.L, Cover, T.L, Ohi, M.D, Lacy, D.B.
登録日2020-05-29
公開日2020-10-07
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM reveals species-specific components within the Helicobacter pylori Cag type IV secretion system core complex.
Elife, 9, 2020
4X64
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BU of 4x64 by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
著者Demirci, H, Chen, J, Choi, J, Soltis, M, Puglisi, J.D.
登録日2014-12-06
公開日2015-11-18
最終更新日2019-12-25
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献N(6)-methyladenosine in mRNA disrupts tRNA selection and translation-elongation dynamics.
Nat.Struct.Mol.Biol., 23, 2016
6PEY
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BU of 6pey by Molmil
MTHFR with mutation Asp120Ala
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D.
登録日2019-06-21
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase
To be published
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
分子名称: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
6PG0
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BU of 6pg0 by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P188A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-06-23
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
7QPZ
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BU of 7qpz by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with RNase A (4)
分子名称: Ribonuclease pancreatic, cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
6PDI
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BU of 6pdi by Molmil
Human PIM1 bound to benzothiophene inhibitor 224
分子名称: 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ...
著者Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, 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 (1.85 Å)
主引用文献Human PIM1
To Be Published
7QQ1
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BU of 7qq1 by Molmil
X-ray structure of the adduct obtained upon reaction of [cis-Rh2(OCOCH3)2(OCOCF3)2] with HEWL
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
著者Loreto, D, Merlino, A.
登録日2022-01-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins.
Dalton Trans, 51, 2022
6PDR
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BU of 6pdr by Molmil
Vaccine-elicited murine FP-targeting antibody vFP25.18 in complex with HIV fusion peptide (residue 512-519)
分子名称: HIV fusion peptide residue 512-519, antibody vFP25.18 heavy chain, antibody vFP25.18 light chain
著者Xu, K, Liu, K, Wang, Y, Kwong, P.D.
登録日2019-06-19
公開日2020-06-24
実験手法X-RAY DIFFRACTION (1.555 Å)
主引用文献Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies
To Be Published
6MSD
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BU of 6msd by Molmil
Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
著者Mao, Y.D.
登録日2018-10-16
公開日2018-12-05
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structures and dynamics of substrate-engaged human 26S proteasome.
Nature, 565, 2019
6PM8
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BU of 6pm8 by Molmil
Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, vanadate bound state
分子名称: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, VANADATE ION
著者Cui, D.S, Lipchock, J.M, Loria, J.P.
登録日2019-07-01
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B.
J.Am.Chem.Soc., 141, 2019
6FOZ
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BU of 6foz by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 13
分子名称: 5-(3,4-dichlorophenyl)furan-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Kynurenine 3-monooxygenase
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
6G7L
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BU of 6g7l by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 8.3 ms state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
6G1D
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BU of 6g1d by Molmil
Corynebacterium glutamicum OxyR C206 mutant
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Young, D.R, Pedre, B.P, Messens, J.M.
登録日2018-03-21
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Structural snapshots of OxyR reveal the peroxidatic mechanism of H2O2sensing.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6QNC
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BU of 6qnc by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 0.1 s timepoint
分子名称: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-02-10
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.897 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
8FGW
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BU of 8fgw by Molmil
Human IFT-A complex structures provide molecular insights into ciliary transport
分子名称: Intraflagellar transport protein 122 homolog, Intraflagellar transport protein 140 homolog, Intraflagellar transport protein 43 homolog, ...
著者Jiang, M, Palicharla, V.R, Miller, D, Hwang, S.H, Zhu, H, Hixson, P, Mukhopadhyay, S, Sun, J.
登録日2022-12-12
公開日2023-02-22
最終更新日2023-04-12
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Human IFT-A complex structures provide molecular insights into ciliary transport.
Cell Res., 33, 2023
6QNJ
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BU of 6qnj by Molmil
Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 4.5 s timepoint
分子名称: COBALT (II) ION, MAGNESIUM ION, Xylose isomerase, ...
著者Mehrabi, P, Schulz, E.C, Miller, R.J.D.
登録日2019-02-11
公開日2019-10-02
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.851 Å)
主引用文献Liquid application method for time-resolved analyses by serial synchrotron crystallography.
Nat.Methods, 16, 2019
6XSS
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BU of 6xss by Molmil
CryoEM structure of designed helical fusion protein C4_nat_HFuse-7900
分子名称: C4_nat_HFuse-7900
著者Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
登録日2020-07-16
公開日2020-12-23
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
8CZV
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BU of 8czv by Molmil
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d
分子名称: 3C-like proteinase, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
著者Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O.
登録日2022-05-25
公開日2022-06-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023

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