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2RHQ
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BU of 2rhq by Molmil
PheRS from Staphylococcus haemolyticus- rational protein engineering and inhibitor studies
分子名称: 1-{3-[(4-pyridin-2-ylpiperazin-1-yl)sulfonyl]phenyl}-3-(1,3-thiazol-2-yl)urea, Phenylalanyl-tRNA synthetase alpha chain, Phenylalanyl-tRNA synthetase beta chain, ...
著者Evdokimov, A.G, Mekel, M.
登録日2007-10-09
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Rational protein engineering in action: the first crystal structure of a phenylalanine tRNA synthetase from Staphylococcus haemolyticus.
J.Struct.Biol., 162, 2008
2FYV
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BU of 2fyv by Molmil
Golgi alpha-mannosidase II complex with an amino-salacinol carboxylate analog
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID, ...
著者Kuntz, D.A, Hamlet, T, Rose, D.R.
登録日2006-02-08
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis, enzymatic activity, and X-ray crystallography of an unusual class of amino acids.
Bioorg.Med.Chem., 14, 2006
8D47
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BU of 8d47 by Molmil
fp.006 Fab in complex with SARS-CoV-2 Fusion Peptide
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Abernathy, M.E, Barnes, C.O.
登録日2022-06-01
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
8D48
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BU of 8d48 by Molmil
sd1.040 Fab in complex with SARS-CoV-2 Spike 2P glycoprotein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, sd1.040 Fab heavy chain, ...
著者Abernathy, M.E, Barnes, C.O.
登録日2022-06-01
公開日2023-01-25
最終更新日2023-03-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Human neutralizing antibodies to cold linear epitopes and subdomain 1 of the SARS-CoV-2 spike glycoprotein.
Sci Immunol, 8, 2023
5OMZ
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BU of 5omz by Molmil
Solution structure of domain III (DIII)of Zika virus Envelope protein
分子名称: Envelope Protein
著者Zerbe, O, Bardelli, M.
登録日2017-08-02
公開日2017-10-04
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
5Y0A
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BU of 5y0a by Molmil
Cryo-EM structure of zika virus complexed with Fab of ZKA190 at pH 8.0 and 37 celsius degree
分子名称: protein E, variable region of Fab ZKA190 heavy chain, variable region of Fab ZKA190 light chain
著者Wang, J.Q, Lok, S.M.
登録日2017-07-15
公開日2017-10-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (22 Å)
主引用文献A Human Bi-specific Antibody against Zika Virus with High Therapeutic Potential.
Cell, 171, 2017
4WTB
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BU of 4wtb by Molmil
BthTX-I, a svPLA2s-like toxin, complexed with zinc ions
分子名称: Basic phospholipase A2 homolog bothropstoxin-1, CHLORIDE ION, SULFATE ION, ...
著者Borges, R.J, Fontes, M.R.M.
登録日2014-10-29
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Functional and structural studies of a Phospholipase A2-like protein complexed to zinc ions: Insights on its myotoxicity and inhibition mechanism.
Biochim. Biophys. Acta, 1861, 2017
9ATN
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BU of 9atn by Molmil
NMR structure of the MLL4 PHD2/3 fingers in complex with ASXL2
分子名称: Histone-lysine N-methyltransferase 2D, Polycomb group protein ASXL2, ZINC ION
著者Zhang, Y, Zandian, M, Kutateladze, T.
登録日2024-02-27
公開日2024-06-19
実験手法SOLUTION NMR
主引用文献ASXLs binding to the PHD2/3 fingers of MLL4 provides a mechanism for the recruitment of BAP1 to active enhancers.
Nat Commun, 15, 2024
2V59
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BU of 2v59 by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2
分子名称: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V58
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CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1
分子名称: 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
2V5A
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BU of 2v5a by Molmil
CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3
分子名称: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION
著者Mochalkin, I, Miller, J.R.
登録日2008-10-02
公開日2009-01-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore.
Proc.Natl.Acad.Sci.USA, 106, 2009
7ZX4
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BU of 7zx4 by Molmil
Clathrin N-terminal domain in complex with a HURP phospho-peptide
分子名称: CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ...
著者Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y.
登録日2022-05-20
公開日2023-03-29
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions.
Mol.Syst.Biol., 19, 2023
6Z1N
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BU of 6z1n by Molmil
Structure of the human heterotetrameric cis-prenyltransferase complex
分子名称: Dehydrodolichyl diphosphate synthase complex subunit DHDDS, Dehydrodolichyl diphosphate synthase complex subunit NUS1, FARNESYL DIPHOSPHATE, ...
著者Lisnyansky Bar-El, M, Haitin, Y, Giladi, M.
登録日2020-05-14
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of heterotetrameric assembly and disease mutations in the human cis-prenyltransferase complex.
Nat Commun, 11, 2020
6YSQ
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BU of 6ysq by Molmil
The hC4Nb8 complement inhibitory nanobody in complex with C4b
分子名称: Complement C4 beta chain, Complement C4 gamma chain, Complement C4-A alpha chain, ...
著者Zarantonello, A, Laursen, N.S, Andersen, G.R.
登録日2020-04-23
公開日2020-06-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献An Ultrahigh-Affinity Complement C4b-Specific Nanobody Inhibits In Vivo Assembly of the Classical Pathway Proconvertase.
J Immunol., 205, 2020
2VD4
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BU of 2vd4 by Molmil
Structure of small-molecule inhibitor of Glmu from Haemophilus influenzae reveals an allosteric binding site
分子名称: 4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide, BIFUNCTIONAL PROTEIN GLMU, MAGNESIUM ION, ...
著者Mochalkin, I, Lightle, S, McDowell, L.
登録日2007-09-28
公開日2008-01-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a Small-Molecule Inhibitor Complexed with Glmu from Haemophilus Influenzae Reveals an Allosteric Binding Site.
Protein Sci., 17, 2008
2W0V
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BU of 2w0v by Molmil
Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline inhibitor 1
分子名称: 6-(CYCLOPROP-2-EN-1-YLMETHOXY)-2-[6-(CYCLOPROPYLMETHYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]-7-METHOXYQUINAZOLIN-4(3H)-ONE, GLUCOSAMINE-1-PHOSPHATE N-ACETYLTRANSFERASE, SULFATE ION, ...
著者Mochalkin, I, Melnick, M.
登録日2008-10-10
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery and Initial Sar of Quinazoline Inhibitors of Glmu from Haemophilus Influenzae
To be Published
2W0W
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BU of 2w0w by Molmil
Crystal structure of Glmu from Haemophilus influenzae in complex with quinazoline inhibitor 2
分子名称: GLUCOSAMINE-1-PHOSPHATE N-ACETYLTRANSFERASE, N-{6-(CYCLOPROPYLMETHOXY)-7-METHOXY-2-[6-(2-METHYLPROPYL)-5-OXO-3,4,5,6-TETRAHYDRO-2,6-NAPHTHYRIDIN-2(1H)-YL]QUINAZOLIN-4-YL}-2,2,2-TRIFLUOROETHANESULFONAMIDE, TETRAETHYLENE GLYCOL
著者Mochalkin, I, Melnick, M.
登録日2008-10-10
公開日2009-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Discovery and Initial Sar of Quinazoline Inhibitors of Glmu from Haemophilus Influenzae
To be Published
7BN2
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BU of 7bn2 by Molmil
Clathrin heavy chain N-terminal domain bound to Non structured protein 3 from Eastern Equine Encephalitis Virus
分子名称: Clathrin heavy chain 1, Non structured protein 3 from Eastern Equine Encephalitis Virus, PHOSPHATE ION, ...
著者Badgujar, D.C, Dobritzsch, D.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.965 Å)
主引用文献Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
7BN3
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BU of 7bn3 by Molmil
Crystal structure of C-terminal domain of PABPC1 in complex with Nucleoprotein from Human Coronavirus 229E
分子名称: GLYCEROL, Isoform 2 of Polyadenylate-binding protein 1, Nucleoprotein from Human Coronavirus 229E, ...
著者Badgujar, D.C, Dobritzsch, D.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
7BN1
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Clathrin heavy chain N-terminal domain complexed with peptide from Protein mu-NS of Reovirus type 1
分子名称: Clathrin heavy chain 1, Protein mu-NS from Reovirus type 1, TETRAETHYLENE GLYCOL
著者Badgujar, D.C, Dobritzsch, D.
登録日2021-01-21
公開日2022-03-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Large-scale phage-based screening reveals extensive pan-viral mimicry of host short linear motifs
Nat Commun, 14, 2023
2PHB
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BU of 2phb by Molmil
An Orally Efficacious Factor Xa Inhibitor
分子名称: (2R,4R)-N~1~-(4-CHLOROPHENYL)-N~2~-[2-FLUORO-4-(2-OXOPYRIDIN-1(2H)-YL)PHENYL]-4-METHOXYPYRROLIDINE-1,2-DICARBOXAMIDE, CALCIUM ION, Coagulation factor X, ...
著者Zhang, E, Kohrt, J.T, Bigge, C.F, Finzel, B.C.
登録日2007-04-10
公開日2008-03-25
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The discovery of (2R,4R)-N-(4-chlorophenyl)-N- (2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-4-methoxypyrrolidine-1,2-dicarboxamide (PD 0348292), an orally efficacious factor Xa inhibitor
Chem.Biol.Drug Des., 70, 2007
2F9Y
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BU of 2f9y by Molmil
The Crystal Structure of The Carboxyltransferase Subunit of ACC from Escherichia coli
分子名称: Acetyl-CoA carboxylase, Carboxyltransferase alpha chain, Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta, ...
著者Bilder, P.W.
登録日2005-12-06
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The Structure of the Carboxyltransferase Component of Acetyl-CoA Carboxylase Reveals a Zinc-Binding Motif Unique to the Bacterial Enzyme(,).
Biochemistry, 45, 2006
2F9I
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Crystal Structure of the carboxyltransferase subunit of ACC from Staphylococcus aureus
分子名称: ZINC ION, acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha, acetyl-coenzyme A carboxylase carboxyl transferase subunit beta
著者Bilder, P.W.
登録日2005-12-05
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献The structure of the carboxyltransferase component of acetyl-coA carboxylase reveals a zinc-binding motif unique to the bacterial enzyme.
Biochemistry, 45, 2006
4P0T
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BU of 4p0t by Molmil
Crystal structure of human centromere protein M
分子名称: Centromere protein M, GLYCEROL
著者Basilico, F, Pasqualato, S, Musacchio, A.
登録日2014-02-22
公開日2014-07-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献The pseudo GTPase CENP-M drives human kinetochore assembly.
Elife, 3, 2014
1PA0
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CRYSTAL STRUCTURE OF BNSP-7, A LYS49-PHOSPHOLIPASE A2
分子名称: Myotoxic phospholipase A2-like
著者Magro, A.J, Soares, A.M, Giglio, J.R, Fontes, M.R.
登録日2003-05-13
公開日2004-07-27
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of BnSP-7 and BnSP-6, two Lys49-phospholipases A(2): quaternary structure and inhibition mechanism insights.
Biochem.Biophys.Res.Commun., 311, 2003

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