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5MNR
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Thermolysin in complex with inhibitor JC256
分子名称: (2~{S})-4-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]butanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Cramer, J, Krimmer, S.G, Heine, A, Klebe, G.
登録日2016-12-13
公開日2017-06-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.249 Å)
主引用文献Paying the Price of Desolvation in Solvent-Exposed Protein Pockets: Impact of Distal Solubilizing Groups on Affinity and Binding Thermodynamics in a Series of Thermolysin Inhibitors.
J. Med. Chem., 60, 2017
7M05
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BU of 7m05 by Molmil
CryoEM structure of PRMT5 bound to covalent PBM-site inhibitor BRD-6988
分子名称: 2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-{[2-(pyridin-2-yl)ethyl]sulfamoyl}phenyl)acetamide, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者McMillan, B.J, McKinney, D.C, Timm, D.E.
登録日2021-03-10
公開日2021-03-17
最終更新日2021-08-25
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Discovery of a First-in-Class Inhibitor of the PRMT5-Substrate Adaptor Interaction.
J.Med.Chem., 64, 2021
3J3S
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BU of 3j3s by Molmil
Structural dynamics of the MecA-ClpC complex revealed by cryo-EM
分子名称: Adapter protein MecA 1, Negative regulator of genetic competence ClpC/MecB
著者Liu, J, Mei, Z, Li, N, Qi, Y, Xu, Y, Shi, Y, Wang, F, Lei, J, Gao, N.
登録日2013-04-18
公開日2013-05-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Structural dynamics of the MecA-ClpC complex: a type II AAA+ protein unfolding machine.
J.Biol.Chem., 288, 2013
5MTV
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BU of 5mtv by Molmil
Active structure of EHD4 complexed with ATP-gamma-S
分子名称: EH domain-containing protein 4, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Melo, A.A, Daumke, O.
登録日2017-01-10
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural insights into the activation mechanism of dynamin-like EHD ATPases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7LHX
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BU of 7lhx by Molmil
Human U1A protein with F37M and F77M mutations for improved phasing
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, SODIUM ION, ...
著者Jenkins, J.L, Lippa, G.M, Wedekind, J.E.
登録日2021-01-26
公開日2021-03-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Affinity and Structural Analysis of the U1A RNA Recognition Motif with Engineered Methionines to Improve Experimental Phasing
Crystals, 11, 2021
7RD5
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BU of 7rd5 by Molmil
Crystal structure of Tspan15 large extracellular loop (Tspan15 LEL) in complex with 1C12 Fab
分子名称: 1C12 Fab Heavy Chain, 1C12 Fab Light Chain, Tetraspanin-15
著者Lipper, C.H, Gabriel, K.H, Seegar, T.C.M, Durr, K.L, Tomlinson, M.G, Blacklow, S.C.
登録日2021-07-09
公開日2021-11-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Crystal structure of the Tspan15 LEL domain reveals a conserved ADAM10 binding site.
Structure, 30, 2022
7DX8
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Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (2 up RBD and 2 PD bound)
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, Angiotensin-converting enzyme 2, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
登録日2021-01-18
公開日2021-03-31
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
3J63
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BU of 3j63 by Molmil
Unified assembly mechanism of ASC-dependent inflammasomes
分子名称: Apoptosis-associated speck-like protein containing a CARD
著者Lu, A, Magupalli, V.G, Ruan, J, Yin, Q, Atianand, M.K, Vos, M, Schroder, G.F, Fitzgerald, K.A, Wu, H, Egelman, E.H.
登録日2013-12-05
公開日2014-03-26
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Unified Polymerization Mechanism for the Assembly of ASC-Dependent Inflammasomes.
Cell(Cambridge,Mass.), 156, 2014
7QHN
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BU of 7qhn by Molmil
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor
分子名称: 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1
著者Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S.
登録日2021-12-13
公開日2022-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
7DX5
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S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 2 (1 up RBD and 1 PD bound)
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, Angiotensin-converting enzyme 2, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
登録日2021-01-18
公開日2021-03-31
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
5MPF
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BU of 5mpf by Molmil
Structural Basis of Gene Regulation by the Grainyhead Transcription Factor Superfamily
分子名称: DNA (5'-D(*AP*AP*AP*AP*CP*CP*GP*GP*TP*TP*TP*T)-3'), Grainyhead-like protein 1 homolog
著者Ming, Q, Roske, Y, Schuetz, A, Walentin, K, Ibraimi, I, Schmidt-Ott, K.M, Heinemann, U.
登録日2016-12-16
公開日2018-01-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.918 Å)
主引用文献Structural basis of gene regulation by the Grainyhead/CP2 transcription factor family.
Nucleic Acids Res., 46, 2018
7LNK
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BU of 7lnk by Molmil
Gorilla Bocavirus 1 Capsid
分子名称: Capsid protein
著者Yu, J.C, Mietzsch, M, Agbandje-McKenna, M.
登録日2021-02-07
公開日2021-03-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (2.76 Å)
主引用文献Characterization of the GBoV1 Capsid and Its Antibody Interactions.
Viruses, 13, 2021
5MUN
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BU of 5mun by Molmil
Structural insight into zymogenic latency of gingipain K from Porphyromonas gingivalis.
分子名称: AZIDE ION, Lys-gingipain W83
著者Pomowski, A, Uson, I, Nowakovska, Z, Veillard, F, Sztukowska, M.N, Guevara, T, Goulas, T, Mizgalska, D, Nowak, M, Potempa, B, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X.
登録日2017-01-13
公開日2017-02-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights unravel the zymogenic mechanism of the virulence factor gingipain K from Porphyromonas gingivalis, a causative agent of gum disease from the human oral microbiome.
J. Biol. Chem., 292, 2017
3J6L
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BU of 3j6l by Molmil
Kinetic and Structural Analysis of Coxsackievirus B3 Receptor Interactions and Formation of the A-particle
分子名称: Coxsackievirus and adenovirus receptor, SULFATE ION
著者Organtini, L.J, Makhov, A.M, Conway, J.F, Hafenstein, S, Carson, S.D.
登録日2014-03-19
公開日2014-04-09
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Kinetic and structural analysis of coxsackievirus b3 receptor interactions and formation of the a-particle.
J.Virol., 88, 2014
7DX9
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BU of 7dx9 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 3 (3 up RBD and 2 PD bound)
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, Angiotensin-converting enzyme 2, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
登録日2021-01-18
公開日2021-03-31
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
3J6N
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BU of 3j6n by Molmil
Kinetic and Structural Analysis of Coxsackievirus B3 Receptor Interactions and Formation of the A-particle
分子名称: Coxsackie and adenovirus receptor
著者Organtini, L.J, Makhov, A.M, Conway, J.F, Hafenstein, S, Carson, S.D.
登録日2014-03-19
公開日2014-04-09
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献Kinetic and structural analysis of coxsackievirus b3 receptor interactions and formation of the a-particle.
J.Virol., 88, 2014
7T75
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BU of 7t75 by Molmil
HIV-1 Envelope ApexGT2 in complex with RM20A3 Fab
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, HIV Envelope ApexGT2 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
7DX7
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BU of 7dx7 by Molmil
Trypsin-digested S protein of SARS-CoV-2 bound with PD of ACE2 in the conformation 1 (1 up RBD and 1 PD bound)
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, Angiotensin-converting enzyme 2, ...
著者Yan, R.H, Zhang, Y.Y, Li, Y.N, Ye, F.F, Guo, Y.Y, Xia, L, Zhong, X.Y, Chi, X.M, Zhou, Q.
登録日2021-01-18
公開日2021-03-31
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis for the different states of the spike protein of SARS-CoV-2 in complex with ACE2.
Cell Res., 31, 2021
7AD0
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BU of 7ad0 by Molmil
X-ray structure of Mdm2 with modified p53 peptide
分子名称: E3 ubiquitin-protein ligase Mdm2, Modified p53 peptide
著者Twarda-Clapa, A, Fortuna, P, Grudnik, P, Dubin, G, Berlicki, L, Holak, T.A.
登録日2020-09-13
公開日2020-10-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Systematic ""foldamerization"" of peptide inhibiting p53-MDM2/X interactions by the incorporation of trans- or cis-2-aminocyclopentanecarboxylic acid residues
Eur.J.Med.Chem., 208, 2020
5MPX
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BU of 5mpx by Molmil
Crystal structure of Arabidopsis thaliana RNA editing factor MORF1, space group P2(1)
分子名称: Multiple organellar RNA editing factor 1, mitochondrial, SULFATE ION
著者Haag, S, Schindler, M, Berndt, L, Brennicke, A, Takenaka, M, Weber, G.
登録日2016-12-19
公開日2017-02-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.938 Å)
主引用文献Crystal structures of the Arabidopsis thaliana organellar RNA editing factors MORF1 and MORF9.
Nucleic Acids Res., 45, 2017
2JGM
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BU of 2jgm by Molmil
Crystal structure of mouse acetylcholinesterase inhibited by aged diisopropyl fluorophosphate (DFP)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE
著者Hornberg, A, Tunemalm, A.-K, Ekstrom, F.
登録日2007-02-13
公開日2007-04-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Acetylcholinesterase in Complex with Organophosphorus Compounds Suggest that the Acyl Pocket Modulates the Aging Reaction by Precluding the Formation of the Trigonal Bipyramidal Transition State.
Biochemistry, 46, 2007
7T74
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BU of 7t74 by Molmil
HIV-1 Envelope ApexGT2 in complex with PCT64.35S Fab and RM20A3 Fab
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, HIV Envelope ApexGT2 gp120, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2021-12-14
公開日2022-09-28
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Human immunoglobulin repertoire analysis guides design of vaccine priming immunogens targeting HIV V2-apex broadly neutralizing antibody precursors.
Immunity, 55, 2022
3K2U
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BU of 3k2u by Molmil
Crystal structure of HGFA in complex with the allosteric inhibitory antibody Fab40
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody, Fab fragment, ...
著者Ganesan, R, Eigenbrot, C, Shia, S.
登録日2009-09-30
公開日2009-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Unraveling the allosteric mechanism of serine protease inhibition by an antibody.
Structure, 17, 2009
8QV0
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BU of 8qv0 by Molmil
Structure of the native microtubule lattice nucleated from the yeast spindle pole body
分子名称: Tubulin alpha-1 chain, Tubulin beta chain
著者Dendooven, T, Yatskevich, S, Burt, A, Bellini, D, Kilmartin, J, Barford, D.
登録日2023-10-17
公開日2024-04-24
最終更新日2024-07-31
実験手法ELECTRON MICROSCOPY (6.6 Å)
主引用文献Structure of the native gamma-tubulin ring complex capping spindle microtubules.
Nat.Struct.Mol.Biol., 31, 2024
3K3O
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BU of 3k3o by Molmil
Crystal structure of the catalytic core domain of human PHF8 complexed with alpha-ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, PHD finger protein 8
著者Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z.
登録日2009-10-03
公開日2010-01-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into a novel histone demethylase PHF8
Cell Res., 20, 2010

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