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8GMH
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BU of 8gmh by Molmil
Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4
分子名称: 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ...
著者Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C.
登録日2023-03-25
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
8GB3
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BU of 8gb3 by Molmil
Structure of the Mycobacterium tuberculosis Hsp70 protein DnaK bound to the nucleotide exchange factor GrpE
分子名称: Chaperone protein DnaK, Protein GrpE
著者Xiao, X, Li, H.
登録日2023-02-24
公開日2024-01-31
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structure of the M. tuberculosis DnaK-GrpE complex reveals how key DnaK roles are controlled.
Nat Commun, 15, 2024
7QZR
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BU of 7qzr by Molmil
Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Pfanzagl, V, Brito, J.A.
登録日2022-01-31
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
5Z5O
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BU of 5z5o by Molmil
Structure of Pycnonodysostosis disease related I249T mutant of human cathepsin K
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Biswas, S, Roy, S.
登録日2018-01-19
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Not all pycnodysostosis-related mutants of human cathepsin K are inactive - crystal structure and biochemical studies of an active mutant I249T.
FEBS J., 285, 2018
6JCE
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BU of 6jce by Molmil
NMR solution and X-ray crystal structures of a DNA containing both right-and left-handed parallel-stranded G-quadruplexes
分子名称: 29-mer DNA
著者Winnerdy, F.R, Bakalar, B, Maity, A, Vandana, J.J, Mechulam, Y, Schmitt, E, Phan, A.T.
登録日2019-01-28
公開日2019-07-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution and X-ray crystal structures of a DNA molecule containing both right- and left-handed parallel-stranded G-quadruplexes.
Nucleic Acids Res., 47, 2019
5YVL
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BU of 5yvl by Molmil
Crystal structure of a cyclase Hpiu5 from Fischerella sp. ATCC 43239
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, cyclase
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2017-11-26
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.059 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
5ZAF
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BU of 5zaf by Molmil
uPA-BB2-28F
分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B
著者Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M.
登録日2018-02-07
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
3I1D
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BU of 3i1d by Molmil
Distinct recognition of three-way DNA junctions by the two enantiomers of a metallo-supramolecular cylinder ('helicate')
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', FE (II) ION, N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
著者Boer, D.R, Uson, I, Hannon, M.J, Coll, M.
登録日2009-06-26
公開日2011-01-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Self-Assembly of Functionalizable Two-Component 3D DNA Arrays through the Induced Formation of DNA Three-Way-Junction Branch Points by Supramolecular Cylinders.
Angew.Chem.Int.Ed.Engl., 49, 2010
1AFE
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BU of 1afe by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY CBZ-PRO-AZALYS-ONP
分子名称: 2-[N'-(4-AMINO-BUTYL)-HYDRAZINOCARBONYL]-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
著者De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
登録日1997-03-06
公開日1997-12-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
6HAA
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BU of 6haa by Molmil
Structure of a covalent complex of endo-Xyloglucanase from Cellvibrio japonicus after reacting with XXXG(2F)-beta-DNP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cellulase, putative, ...
著者Offen, W, Davies, G.J.
登録日2018-08-07
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Synthesis and application of a highly branched, mechanism-based 2-deoxy-2-fluoro-oligosaccharide inhibitor of endo-xyloglucanases.
Org. Biomol. Chem., 16, 2018
5ZJ6
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BU of 5zj6 by Molmil
Crystal structure of HCK kinase complexed with a pyrrolo-pyrimidine inhibitor 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
分子名称: 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Tyrosine-protein kinase HCK
著者Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M.
登録日2018-03-19
公開日2018-06-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献Phosphorylated and non-phosphorylated HCK kinase domains produced by cell-free protein expression.
Protein Expr. Purif., 150, 2018
5WLI
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BU of 5wli by Molmil
Crystal Structure of H-2Db with the GAP501 peptide (SQL)
分子名称: Beta-2-microglobulin, GAP50 peptide, H-2 class I histocompatibility antigen, ...
著者Gras, S, Farenc, C, Josephs, T, Rossjohn, J.
登録日2017-07-27
公開日2017-11-15
最終更新日2019-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A T Cell Receptor Locus Harbors a Malaria-Specific Immune Response Gene.
Immunity, 47, 2017
6HIH
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BU of 6hih by Molmil
Cytochrome c prime beta from Methylococcus capsulatus (Bath)
分子名称: Cytochrome c, GLYCEROL, HEME C, ...
著者Adams, H, Chicano, T.M, Hough, M.A.
登録日2018-08-29
公開日2019-03-20
最終更新日2019-05-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献One fold, two functions: cytochrome P460 and cytochromec'-beta from the methanotrophMethylococcus capsulatus(Bath).
Chem Sci, 10, 2019
6HIT
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BU of 6hit by Molmil
The crystal structure of haemoglobin from Atlantic cod
分子名称: Hemoglobin alpha 2 chain, Hemoglobin beta 4 chain, PROTOPORPHYRIN IX CONTAINING FE
著者Helland, R, Bjorkeng, E.K, Rothweiler, U, Sydnes, M.O, Pampanin, D.M.
登録日2018-08-30
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of haemoglobin from Atlantic cod.
Acta Crystallogr.,Sect.F, 75, 2019
5WSH
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BU of 5wsh by Molmil
Structure of HLA-A2 P130
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLY-VAL-TRP-ILE-ARG-THR-PRO-THR-ALA, ...
著者Zhang, Y, Wu, Y, Qi, J, Liu, J, Gao, G.F, Meng, S.
登録日2016-12-07
公開日2017-12-20
最終更新日2019-01-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献CD8+T-Cell Response-Associated Evolution of Hepatitis B Virus Core Protein and Disease Progress.
J. Virol., 92, 2018
5WOH
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BU of 5woh by Molmil
Human Hemoglobin Immersed in Liquid Oxygen for 20 seconds
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Gumpper, R.H, Terrell, J.R, Luo, M.
登録日2017-08-02
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Hemoglobin crystals immersed in liquid oxygen reveal diffusion channels.
Biochem. Biophys. Res. Commun., 495, 2018
6HHC
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BU of 6hhc by Molmil
Allosteric Inhibition as a new mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated form of Coagulation Factor XI
分子名称: Coagulation factor XI, DIMETHYL SULFOXIDE, FXIA ANTIBODY FAB HEAVY CHAIN, ...
著者Schaefer, M, Buchmueller, A, Dittmer, F, Strassburger, J, Wilmen, A.
登録日2018-08-27
公開日2019-09-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Inhibition as a New Mode of Action for BAY 1213790, a Neutralizing Antibody Targeting the Activated Form of Coagulation Factor XI.
J.Mol.Biol., 431, 2019
5ZFJ
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BU of 5zfj by Molmil
Crystal structure of a cyclase Filc from Fischerella sp. in complex with 4-(1H-Indol-3-yl)butan-2-one
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(1~{H}-indol-3-yl)butan-2-one, CALCIUM ION, ...
著者Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-03-06
公開日2018-12-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
6HSV
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BU of 6hsv by Molmil
Engineered higher-order assembly of Cholera Toxin B subunits via the addition of C-terminal parallel coiled-coiled domains
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
著者Pearson, A.R, Turnbull, W.B, Ross, J.F, Trinh, C.H, Webb, M.E.
登録日2018-10-01
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Directed Assembly of Homopentameric Cholera Toxin B-Subunit Proteins into Higher-Order Structures Using Coiled-Coil Appendages.
J.Am.Chem.Soc., 141, 2019
1BMM
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BU of 1bmm by Molmil
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-4-[(AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY-2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE (BMS-186282)
分子名称: ALPHA-THROMBIN, HIRUDIN I, S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE
著者Malley, M, Sack, J.
登録日1995-11-14
公開日1996-12-07
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystallographic determination of the structures of human alpha-thrombin complexed with BMS-186282 and BMS-189090.
Protein Sci., 5, 1996
5ZZM
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BU of 5zzm by Molmil
E. coli 50S subunit bound HflX protein in presence of ATP (AMP-PNP) and GTP (GMP-PNP) analogs.
分子名称: 23S rRNA, 5S rRNA, GTPase HflX
著者Dey, S.
登録日2018-06-03
公開日2018-06-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (8.1 Å)
主引用文献The universally conserved GTPase HflX is an RNA helicase that restores heat-damagedEscherichia coliribosomes.
J. Cell Biol., 217, 2018
6KFI
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BU of 6kfi by Molmil
NMR solution structure of the 1:1 complex of Tel26 G-quadruplex and a tripodal cationic fluorescent probe NBTE
分子名称: 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide, G-quadruplex DNA (26-MER)
著者Liu, W, Liu, L.Y, Mao, Z.W.
登録日2019-07-07
公開日2020-07-08
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Quantitative Detection of G-Quadruplex DNA in Live Cells Based on Photon Counts and Complex Structure Discrimination.
Angew.Chem.Int.Ed.Engl., 59, 2020
6KFJ
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BU of 6kfj by Molmil
NMR solution structure of the 1:1 complex of wtTel26 G-quadruplex and a tripodal cationic fluorescent probe NBTE
分子名称: 4,4',4''-(nitrilotris(benzene-4,1-diyl))tris(1-ethylpyridin-1-ium) iodide, G-quadruplex DNA wtTel26
著者Liu, W, Liu, L.Y, Mao, Z.W.
登録日2019-07-07
公開日2020-07-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Quantitative Detection of G-Quadruplex DNA in Live Cells Based on Photon Counts and Complex Structure Discrimination.
Angew.Chem.Int.Ed.Engl., 59, 2020
1AE8
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BU of 1ae8 by Molmil
HUMAN ALPHA-THROMBIN INHIBITION BY EOC-D-PHE-PRO-AZALYS-ONP
分子名称: 1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN (LARGE SUBUNIT), ...
著者De Simone, G, Balliano, G, Milla, P, Gallina, C, Giordano, C, Tarricone, C, Rizzi, M, Bolognesi, M, Ascenzi, P.
登録日1997-03-06
公開日1997-12-03
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
J.Mol.Biol., 269, 1997
1ABJ
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BU of 1abj by Molmil
STRUCTURE OF THE HIRULOG 3-THROMBIN COMPLEX AND NATURE OF THE S' SUBSITES OF SUBSTRATES AND INHIBITORS
分子名称: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
著者Qiu, X, Tulinsky, A.
登録日1992-08-24
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of the hirulog 3-thrombin complex and nature of the S' subsites of substrates and inhibitors.
Biochemistry, 31, 1992

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