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8U1C
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BU of 8u1c by Molmil
A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ...
著者Ferguson, J.A, Oeverdieck, S, Ward, A.B.
登録日2023-08-31
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface
To Be Published
8Q52
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BU of 8q52 by Molmil
A PBP-like protein built from fragments of different folds
分子名称: Leucine-specific-binding protein,Chemotaxis protein CheY, SULFATE ION
著者Shanmugaratnam, S, Toledo-Patino, S, Goetz, S.K, Farias-Rico, J.A, Hocker, B.
登録日2023-08-08
公開日2024-04-10
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Molecular handcraft of a well-folded protein chimera.
Febs Lett., 598, 2024
6PLJ
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BU of 6plj by Molmil
A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Carbone, V, Schofield, L, Sutherland-Smith, A, Ronimus, R.
登録日2019-07-01
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A nucleotidyl transferase from Methanothermobacter thermautotroptrophicus (Mth528)
To Be Published
5NPK
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BU of 5npk by Molmil
1.98A STRUCTURE OF THIOPHENE1 WITH S.AUREUS DNA GYRASE AND DNA
分子名称: CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A, ...
著者Bax, B.D, Chan, P.F, Stavenger, R.A.
登録日2017-04-17
公開日2017-07-12
最終更新日2018-10-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Thiophene antibacterials that allosterically stabilize DNA-cleavage complexes with DNA gyrase.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5K09
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BU of 5k09 by Molmil
Crystal Structure of COMT in complex with a thiazole ligand
分子名称: 5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole, Catechol O-methyltransferase, PHOSPHATE ION, ...
著者Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G.
登録日2016-05-17
公開日2016-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
8R9O
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BU of 8r9o by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: Cyclin-dependent kinase 7, ~{N}-[(1~{S})-2-(dimethylamino)-1-phenyl-ethyl]-6,6-dimethyl-3-[[4-(propanoylamino)phenyl]carbonylamino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.22 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, 2024
8R9U
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BU of 8r9u by Molmil
A soakable crystal form of human CDK7 in complex with AMP-PNP
分子名称: 7-dimethylphosphoryl-3-[2-[[(3~{S})-6,6-dimethylpiperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]-1~{H}-indole-6-carbonitrile, Cyclin-dependent kinase 7
著者Mukherjee, M, Cleasby, A.
登録日2023-11-30
公開日2024-05-29
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.937 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, 2024
8E31
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BU of 8e31 by Molmil
Purification of Enterovirus A71, strain 4643, WT capsid
分子名称: Genome polyprotein, VP1, VP3
著者Catching, A, Capponi, S, Andino, R.
登録日2022-08-16
公開日2023-08-30
最終更新日2023-12-06
実験手法ELECTRON MICROSCOPY (14 Å)
主引用文献A tradeoff between enterovirus A71 particle stability and cell entry.
Nat Commun, 14, 2023
6MJV
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BU of 6mjv by Molmil
A consensus human beta defensin
分子名称: Human beta-defensin
著者Amero, C, Villegas-Moreno, J, Rodriguez, A, Norton, R.S, Corzo, G.
登録日2018-09-22
公開日2019-08-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Antimicrobial activity and structure of a consensus human beta-defensin and its comparison to a novel putative hBD10.
Proteins, 88, 2020
5MEM
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BU of 5mem by Molmil
A potent fluorescent inhibitor of glycogen phosphorylase as a catalytic site probe.
分子名称: 2-[[1-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]amino]-10~{H}-acridin-9-one, Glycogen phosphorylase, muscle form, ...
著者Mamais, M, Chrysina, E.D.
登録日2016-11-15
公開日2017-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A New Potent Inhibitor of Glycogen Phosphorylase Reveals the Basicity of the Catalytic Site.
Chemistry, 23, 2017
1HBV
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BU of 1hbv by Molmil
A CHECK ON RATIONAL DRUG DESIGN. CRYSTAL STRUCTURE OF A COMPLEX OF HIV-1 PROTEASE WITH A NOVEL GAMMA-TURN MIMETIC
分子名称: 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-YL]-1-OXOPROPYL-VALINYL-VALINE-METHYLESTER, HIV-1 PROTEASE
著者Hoog, S, Abdel-Meguid, S.
登録日1995-03-29
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A check on rational drug design: crystal structure of a complex of human immunodeficiency virus type 1 protease with a novel gamma-turn mimetic inhibitor.
J.Med.Chem., 38, 1995
1F1G
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BU of 1f1g by Molmil
Crystal structure of yeast cuznsod exposed to nitric oxide
分子名称: COPPER (II) ION, COPPER-ZINC SUPEROXIDE DISMUTASE, PHOSPHATE ION, ...
著者Hart, P.J, Ogihara, N.L, Liu, H, Nersissian, A.M, Valentine, J.S, Eisenberg, D.
登録日2000-05-18
公開日2002-12-12
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
5LHY
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BU of 5lhy by Molmil
PB3 Domain of Human PLK4 (apo)
分子名称: Serine/threonine-protein kinase PLK4
著者Cottee, M.A, Johnson, S, Lea, S.M.
登録日2016-07-13
公開日2017-03-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies.
Biol Open, 6, 2017
8OME
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BU of 8ome by Molmil
Crystal structure of hKHK-A in complex with compound-4
分子名称: Ketohexokinase, compound
著者Ebenhoch, R, Pautsch, A.
登録日2023-03-31
公開日2023-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human and mouse ketohexokinase provide a structural basis for species- and isoform-selective inhibitor design.
Acta Crystallogr D Struct Biol, 79, 2023
5MZ3
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BU of 5mz3 by Molmil
P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide]
分子名称: Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Cowan-Jacob, S.W, Scheufler, C.
登録日2017-01-30
公開日2017-11-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
6T63
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BU of 6t63 by Molmil
A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH6
分子名称: Gag polyprotein
著者Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M.
登録日2019-10-17
公開日2020-01-15
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly.
Plos Pathog., 16, 2020
6FLZ
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BU of 6flz by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus, in complex with methyl-mannose.
分子名称: CITRIC ACID, Jacalin-like lectin, methyl alpha-D-mannopyranoside
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.895 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
6FLW
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BU of 6flw by Molmil
Structure of AcmJRL, a mannose binding jacalin related lectin from Ananas comosus.
分子名称: CITRIC ACID, Jacalin-like lectin
著者Azarkan, M, Herman, R, El Mahyaoui, R, Sauvage, E, Vanden Broeck, A, Charlier, P.
登録日2018-01-29
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural characterization of a mannose binding jacalin-related lectin with two-sugar binding sites from pineapple (Ananas comosus) stem.
Sci Rep, 8, 2018
1G1N
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BU of 1g1n by Molmil
NICKED DECAMER DNA WITH PEG6 TETHER, NMR, 30 STRUCTURES
分子名称: 5'-D(*GP*TP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*AP*CP*AP*AP*CP*GP*C)-3', 5'-D(P*GP*CP*GP*TP*T)-3', ...
著者Bocian, W, Kozerski, L, Mazurek, A.P, Kawecki, R.
登録日2000-10-13
公開日2001-03-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A nicked duplex decamer DNA with a PEG(6) tether.
Nucleic Acids Res., 29, 2001
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2024-06-26
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, 2024
5JLG
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BU of 5jlg by Molmil
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and compound I, a piano-stool organometallic Ru(II) arene compound containing an O,S-chelating ligand
分子名称: DIMETHYL SULFOXIDE, RUTHENIUM ION, Ribonuclease pancreatic, ...
著者Ferraro, G, Merlino, A.
登録日2016-04-27
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Unusual mode of protein binding by a cytotoxic pi-arene ruthenium(ii) piano-stool compound containing an O,S-chelating ligand.
Dalton Trans, 45, 2016
6T61
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BU of 6t61 by Molmil
A model of the EIAV CA-SP hexamer (C2) from Gag-deltaMA tubes assembled at pH8
分子名称: Gag polyprotein
著者Dick, R.A, Xu, C, Morado, D.R, Kravchuk, V, Ricana, C.L, Lyddon, T.D, Broad, A.M, Feathers, J.R, Johnson, M.C, Vogt, V.M, Perilla, J.R, Briggs, J.A.G, Schur, F.K.M.
登録日2019-10-17
公開日2020-01-15
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structures of immature EIAV Gag lattices reveal a conserved role for IP6 in lentivirus assembly.
Plos Pathog., 16, 2020
6FKX
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BU of 6fkx by Molmil
Crystal structure of an acetyl xylan esterase from a desert metagenome
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl xylan esterase, FORMIC ACID, ...
著者Adesioye, F.A, Makhalanyane, T.P, Vikram, S, Sewell, B.T, Schubert, W, Cowan, D.A.
登録日2018-01-24
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Characterization and Directed Evolution of a Novel Acetyl Xylan Esterase Reveals Thermostability Determinants of the Carbohydrate Esterase 7 Family.
Appl. Environ. Microbiol., 84, 2018
5KKO
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BU of 5kko by Molmil
A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein
分子名称: Uncharacterised protein
著者Brunzelle, J.S, Wawrzak, Z, Skarina, T, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-06-22
公開日2016-09-21
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A 1.55A X-Ray Structure from Vibrio cholerae O1 biovar El Tor of a Hypothetical Protein
To Be Published
8PW7
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BU of 8pw7 by Molmil
A respirasome from murine liver
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Vercellino, I, Sazanov, L.A.
登録日2023-07-19
公開日2024-04-24
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献SCAF1 drives the compositional diversity of mammalian respirasomes.
Nat.Struct.Mol.Biol., 2024

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件を2024-07-17に公開中

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