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6EPE
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BU of 6epe by Molmil
Substrate processing state 26S proteasome (SPS2)
分子名称: 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, 26S proteasome non-ATPase regulatory subunit 13, ...
著者Guo, Q, Lehmer, C, Martinez-Sanchez, A, Rudack, T, Beck, F, Hartmann, H, Hipp, M.S, Hartl, F.U, Edbauer, D, Baumeister, W, Fernandez-Busnadiego, R.
登録日2017-10-11
公開日2018-02-07
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (12.8 Å)
主引用文献In Situ Structure of Neuronal C9orf72 Poly-GA Aggregates Reveals Proteasome Recruitment.
Cell, 172, 2018
6EEX
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BU of 6eex by Molmil
L-GSTSTA from degenerate octameric repeats in InaZ, residues 707-712
分子名称: L-GSTSTA from ice nucleaction protein, inaZ
著者Zee, C, Glynn, C, Gallagher-Jones, M, Miao, J, Santiago, C.G, Cascio, D, Gonen, T, Sawaya, M.R, Rodriguez, J.A.
登録日2018-08-15
公開日2019-04-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Homochiral and racemic MicroED structures of a peptide repeat from the ice-nucleation protein InaZ.
IUCrJ, 6, 2019
6EHY
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BU of 6ehy by Molmil
scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
分子名称: scFv antibody fragment
著者Hargreaves, D.
登録日2017-09-15
公開日2017-11-08
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献scFv AbVance: increasing our knowledge of antibody structural space to enable faster and better decision making in drug discovery
To Be Published
6ERE
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BU of 6ere by Molmil
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes3/Imdes3
分子名称: Immunity, PHOSPHATE ION, colicin
著者Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J.
登録日2017-10-18
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
6ERP
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BU of 6erp by Molmil
Structure of the human mitochondrial transcription initiation complex at the LSP promoter
分子名称: DNA-directed RNA polymerase, mitochondrial, Dimethyladenosine transferase 2, ...
著者Hillen, H.S, Morozov, Y.I, Sarfallah, A, Temiakov, D, Cramer, P.
登録日2017-10-18
公開日2017-11-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (4.502 Å)
主引用文献Structural Basis of Mitochondrial Transcription Initiation.
Cell, 171, 2017
6E6E
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BU of 6e6e by Molmil
DGY-06-116, a novel and selective covalent inhibitor of SRC kinase
分子名称: N-(2-chloro-6-methylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4-{[2-(propanoylamino)phenyl]amino}pyrimidine-5-carboxamide, Proto-oncogene tyrosine-protein kinase Src
著者Gurbani, D, Bera, A, Westover, K.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure and Characterization of a Covalent Inhibitor of Src Kinase.
Front Mol Biosci, 7, 2020
4E27
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BU of 4e27 by Molmil
Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences Solved by Iodide SAD Phasing
分子名称: Capsid Protein, IODIDE ION, SODIUM ION
著者Craig, T.K, Abendroth, J, Lorimer, D, Burgin Jr, A.B, Segall, A, Rohwer, F.
登録日2012-03-07
公開日2013-03-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of a Pentameric Capsid Protein Isolated from Metagenomic Phage Sequences Solved by Iodide SAD Phasing
To be Published
6E1L
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BU of 6e1l by Molmil
GRN3Ala
分子名称: Granulin
著者Dastpeyman, M, Bansal, P, Wilson, D, Sotillo, J, Brindley, P, Loukas, A, Smout, M, Daly, N.
登録日2018-07-10
公開日2019-02-06
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structural Variants of a Liver Fluke Derived Granulin Peptide Potently Stimulate Wound Healing.
J. Med. Chem., 61, 2018
6EBL
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BU of 6ebl by Molmil
The voltage-activated Kv1.2-2.1 paddle chimera channel in lipid nanodiscs, cytosolic domain
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Potassium voltage-gated channel subfamily A member 2,Potassium voltage-gated channel subfamily B member 2 chimera, Voltage-gated potassium channel subunit beta-2
著者Matthies, D, Bae, C, Fox, T, Bartesaghi, A, Subramaniam, S, Swartz, K.J.
登録日2018-08-06
公開日2018-08-22
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Single-particle cryo-EM structure of a voltage-activated potassium channel in lipid nanodiscs.
Elife, 7, 2018
4DW8
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BU of 4dw8 by Molmil
Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
分子名称: Haloacid dehalogenase-like hydrolase, SODIUM ION, UNKNOWN LIGAND
著者Vetting, M.W, Wasserman, S.R, Morisco, L.L, Sojitra, S, Allen, K.N, Dunaway-Mariano, D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-02-24
公開日2012-03-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Crystal structure of a haloacid dehalogenase-like hydrolase (Target EFI-900331) from Bacteroides thetaiotaomicron with bound Na crystal form I
To be Published
2IGW
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BU of 2igw by Molmil
CYCLOPHILIN 3 complexed with DIPEPTIDE GLY-PRO
分子名称: GLYCINE, PROLINE, Peptidyl-prolyl cis-trans isomerase 3
著者Kan, D.
登録日2006-09-25
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Experimental Determination of van der Waals Energies in a Biological System.
Angew.Chem.Int.Ed.Engl., 46, 2007
6EZY
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BU of 6ezy by Molmil
ARABIDOPSIS THALIANA GSTF9, GSH AND GSOH BOUND
分子名称: BROMIDE ION, GLUTATHIONE, GLYCEROL, ...
著者Tossounian, M.A, Wahni, K, VanMolle, I, Rosado, L, Vertommen, D, Messens, J.
登録日2017-11-16
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility.
Protein Sci., 28, 2019
2J1R
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BU of 2j1r by Molmil
Structure of a Streptococcus pneumoniae fucose binding module
分子名称: CALCIUM ION, FUCOLECTIN-RELATED PROTEIN
著者Boraston, A.B, Wang, D, Burke, R.D.
登録日2006-08-15
公開日2006-09-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Blood Group Antigen Recognition by a Streptococcus Pneumoniae Virulence Factor.
J.Biol.Chem., 281, 2006
2IOH
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BU of 2ioh by Molmil
Crystal structure of phosphonoacetaldehyde hydrolase with a K53R mutation
分子名称: MAGNESIUM ION, PHOSPHATE ION, Phosphonoacetaldehyde hydrolase
著者Allen, K.A, Lahiri, S.D, Zhang, G, Dunaway-Mariano, D, Peisach, E.
登録日2006-10-10
公開日2007-08-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Diversification of function in the haloacid dehalogenase enzyme superfamily: The role of the cap domain in hydrolytic phosphoruscarbon bond cleavage.
Bioorg.Chem., 34, 2006
2J49
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BU of 2j49 by Molmil
Crystal structure of yeast TAF5 N-terminal domain
分子名称: TRANSCRIPTION INITIATION FACTOR TFIID SUBUNIT 5
著者Romier, C, James, N, Birck, C, Cavarelli, J, Vivares, C, Collart, M.A, Moras, D.
登録日2006-08-28
公開日2007-04-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure, Biochemical and Genetic Characterization of Yeast and E. Cuniculi Taf(II)5 N-Terminal Domain: Implications for TFIID Assembly.
J.Mol.Biol., 368, 2007
2J6E
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BU of 2j6e by Molmil
Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ...
著者Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J.
登録日2006-09-28
公開日2007-04-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation.
J.Mol.Biol., 368, 2007
6EY9
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BU of 6ey9 by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
著者Musil, D, Lehmann, M, Buchstaller, H.-P.
登録日2017-11-11
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
2J85
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BU of 2j85 by Molmil
B116 of Sulfolobus turreted icosahedral virus (STIV)
分子名称: STIV B116
著者Larson, E.T, Reiter, D, Young, M.J, Lawrence, C.M.
登録日2006-10-19
公開日2006-11-02
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献A New DNA Binding Protein Highly Conserved in Diverse Crenarchaeal Viruses
Virology, 363, 2007
6EZH
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BU of 6ezh by Molmil
Torpedo californica AChE in complex with indolic multi-target directed ligand
分子名称: 1-(7-chloranyl-4-methoxy-1~{H}-indol-5-yl)-3-[1-(cyclohexylmethyl)piperidin-4-yl]propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase
著者Santoni, G, Lalut, J, Karila, D, Lecoutey, C, Davis, A, Nachon, F, Sillman, I, Sussman, J, Weik, M, Maurice, T, Dallemagne, P, Rochais, C.
登録日2017-11-15
公開日2018-11-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel multitarget-directed ligands targeting acetylcholinesterase and sigma1receptors as lead compounds for treatment of Alzheimer's disease: Synthesis, evaluation, and structural characterization of their complexes with acetylcholinesterase.
Eur J Med Chem, 162, 2018
2IJ2
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Atomic structure of the heme domain of flavocytochrome P450-BM3
分子名称: Cytochrome P450 BM3, PROTOPORPHYRIN IX CONTAINING FE
著者Helen, H.S, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural and spectroscopic characterization of P450 BM3 mutants with unprecedented P450 heme iron ligand sets. New heme ligation states influence conformational equilibria in P450 BM3.
J.Biol.Chem., 282, 2007
4I49
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Structure of ngNAGS bound with bisubstrate analog CoA-NAG
分子名称: (2S)-2-({(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaicosan-20-yl}amino)pentanedioic acid (non-preferred name), Amino-acid acetyltransferase, SULFATE ION
著者Shi, D, Zhao, G, Allewell, N.M, Tuchman, M.
登録日2012-11-27
公開日2013-01-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structure of the complex of Neisseria gonorrhoeae N-acetyl-l-glutamate synthase with a bound bisubstrate analog.
Biochem.Biophys.Res.Commun., 430, 2013
2IGV
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CYCLOPHILIN 3 Complexed with DIPEPTIDE SER-PRO
分子名称: PROLINE, Peptidyl-prolyl cis-trans isomerase 3, SERINE
著者Kan, D.
登録日2006-09-25
公開日2007-08-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Experimental Determination of van der Waals Energies in a Biological System.
Angew.Chem.Int.Ed.Engl., 46, 2007
2IO0
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Crystal structure of human Senp2 in complex with preSUMO-2
分子名称: SULFATE ION, Sentrin-specific protease 2, Small ubiquitin-related modifier 2 precursor
著者Reverter, D, Lima, C.D.
登録日2006-10-09
公開日2006-11-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for SENP2 protease interactions with SUMO precursors and conjugated substrates.
Nat.Struct.Mol.Biol., 13, 2006
5O41
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Low-dose fixed target serial synchrotron crystallography structure of sperm whale myoglobin
分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Owen, R.L, Axford, D, Sherrell, D, Mueller-Werkmeister, H.
登録日2017-05-25
公開日2017-06-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Low-dose fixed-target serial synchrotron crystallography.
Acta Crystallogr D Struct Biol, 73, 2017
2IJ7
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Structure of Mycobacterium tuberculosis CYP121 in complex with the antifungal drug fluconazole
分子名称: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE
著者Roujeinikova, A, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006

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