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3GP5
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BU of 3gp5 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 3-phosphoglyceric acid and vanadate
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2009-03-20
公開日2009-03-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
2V58
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BU of 2v58 by Molmil
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
4Z76
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BU of 4z76 by Molmil
Weak TCR binding to an unstable insulin epitope drives type 1 diabetes
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2015-04-06
公開日2015-06-24
最終更新日2015-08-12
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Distortion of the Major Histocompatibility Complex Class I Binding Groove to Accommodate an Insulin-derived 10-Mer Peptide.
J.Biol.Chem., 290, 2015
3FLU
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BU of 3flu by Molmil
Crystal structure of dihydrodipicolinate synthase from the pathogen Neisseria meningitidis
分子名称: Dihydrodipicolinate synthase, GLYCEROL, SULFATE ION
著者Devenish, S.R.A, Hadfield, A.T.
登録日2008-12-19
公開日2009-06-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cloning and characterisation of dihydrodipicolinate synthase from the pathogen Neisseria meningitidis.
Biochim.Biophys.Acta, 2009
4ZJV
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BU of 4zjv by Molmil
crystal structure of EGFR kinase domain in complex with Mitogen-inducible gene 6 protein
分子名称: ERBB receptor feedback inhibitor 1, Epidermal growth factor receptor
著者Eck, M.J, Park, E, Lee, B.
登録日2015-04-29
公開日2015-08-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and mechanism of activity-based inhibition of the EGF receptor by Mig6.
Nat.Struct.Mol.Biol., 22, 2015
2XTK
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BU of 2xtk by Molmil
ChiA1 from Aspergillus fumigatus in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CLASS III CHITINASE CHIA1, PHOSPHATE ION
著者Schuettelkopf, A.W, van Aalten, D.M.F.
登録日2010-10-11
公開日2011-10-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Acetazolamide-Based Fungal Chitinase Inhibitors.
Bioorg.Med.Chem., 18, 2010
7Z3Z
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BU of 7z3z by Molmil
Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid 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, STEARIC ACID, ...
著者Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E.
登録日2022-03-03
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer
bioRxiv, 2020
2WD8
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BU of 2wd8 by Molmil
PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00071204
分子名称: 1-(3,4-DICHLOROBENZYL)-7-PHENYL-1H-BENZIMIDAZOL-2-AMINE, CHLORIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R.
登録日2009-03-20
公開日2009-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
2VRP
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BU of 2vrp by Molmil
Structure of rhodocytin
分子名称: AGGRETIN ALPHA CHAIN, AGGRETIN BETA CHAIN, CHLORIDE ION, ...
著者Watson, A.A, O'Callaghan, C.A.
登録日2008-04-09
公開日2008-07-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Crystal Structure of Rhodocytin, a Ligand for the Platelet-Activating Receptor Clec-2.
Protein Sci., 17, 2008
3GXN
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BU of 3gxn by Molmil
Crystal structure of apo alpha-galactosidase A at pH 4.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, SULFATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
2WD7
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BU of 2wd7 by Molmil
PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066750
分子名称: 6-chloro-1H-benzimidazol-2-amine, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PTERIDINE REDUCTASE
著者Robinson, D.A, Wyatt, P.G, Spinks, D, Brenk, R.
登録日2009-03-20
公開日2009-06-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献One Scaffold, Three Binding Modes: Novel and Selective Pteridine Reductase 1 Inhibitors Derived from Fragment Hits Discovered by Virtual Screening.
J.Med.Chem., 52, 2009
3GXI
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BU of 3gxi by Molmil
Crystal structure of acid-beta-glucosidase at pH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3H0J
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BU of 3h0j by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 2
分子名称: 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase
著者Zhang, H, Tong, L.
登録日2009-04-09
公開日2010-04-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
7K7Q
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BU of 7k7q by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-({3-[6-(dimethylcarbamoyl)pyridazin-3-yl]-2-methoxyphenyl}amino)-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
7K7O
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BU of 7k7o by Molmil
CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH COMPOUND-12 AKA:6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide
分子名称: 6-[(cyclopropanecarbonyl)amino]-4-{[2-methoxy-3-(pyrimidin-2-yl)phenyl]amino}-N-methylpyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2
著者Khan, J.A.
登録日2020-09-23
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery of BMS-986202: A Clinical Tyk2 Inhibitor that Binds to Tyk2 JH2.
J.Med.Chem., 64, 2021
3GOM
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BU of 3gom by Molmil
Barium bound to the Holliday junction sequence d(TCGGCGCCGA)4
分子名称: 5'-D(*TP*CP*GP*GP*CP*GP*CP*CP*GP*A)-3', BARIUM ION
著者Naseer, A, Cardin, C.J.
登録日2009-03-19
公開日2009-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure determination of an intercalating ruthenium dipyridophenazine complex which kinks DNA by semiintercalation of a tetraazaphenanthrene ligand.
Proc.Natl.Acad.Sci.USA, 108, 2011
3GOD
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BU of 3god by Molmil
Structural basis for DNase activity of a conserved protein implicated in CRISPR-mediated antiviral defense
分子名称: CALCIUM ION, Cas1, MANGANESE (II) ION, ...
著者Wiedenheft, B.
登録日2009-03-18
公開日2009-06-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural Basis for DNase Activity of a Conserved Protein Implicated in CRISPR-Mediated Genome Defense.
Structure, 17, 2009
3GPR
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BU of 3gpr by Molmil
Crystal structure of rhodocetin
分子名称: Rhodocetin subunit alpha, Rhodocetin subunit beta, Rhodocetin subunit delta, ...
著者Stetefeld, J.
登録日2009-03-23
公開日2009-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The alpha2beta1 integrin-specific antagonist rhodocetin is a cruciform, heterotetrameric molecule
Faseb J., 23, 2009
7K77
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BU of 7k77 by Molmil
The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025
分子名称: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
著者Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W.
登録日2020-09-22
公開日2021-09-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ001008025
To Be Published
3GXP
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BU of 3gxp by Molmil
Crystal structure of acid-alpha-galactosidase A complexed with galactose at pH 4.5
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, Alpha-galactosidase A, ...
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3H3C
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BU of 3h3c by Molmil
Crystal structure of PYK2 in complex with Sulfoximine-substituted trifluoromethylpyrimidine analog
分子名称: 4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-N-methylbenzenesulfonamide, Protein tyrosine kinase 2 beta, SULFATE ION
著者Han, S, Mistry, A.
登録日2009-04-16
公開日2009-05-26
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.
Bioorg.Med.Chem.Lett., 19, 2009
3GXF
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BU of 3gxf by Molmil
Crystal structure of acid-beta-glucosidase with isofagomine at neutral pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCEROL, ...
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
3H0S
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BU of 3h0s by Molmil
Crystal structure of the carboxyltransferase domain of acetyl-coenzyme A carboxylase in complex with compound 7
分子名称: 1'-(1H-indazol-7-ylcarbonyl)-6-methylspiro[chromene-2,4'-piperidin]-4(3H)-one, Acetyl-CoA carboxylase, SULFATE ION
著者Vajdos, F.
登録日2009-04-10
公開日2010-04-07
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.
Bioorg.Med.Chem.Lett., 20, 2010
3GXT
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BU of 3gxt by Molmil
Crystal structure of alpha-galactosidase A at pH 4.5 complexed with 1-deoxygalactonijirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-26
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
2YN8
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BU of 2yn8 by Molmil
ephB4 kinase domain inhibitor complex
分子名称: EPHRIN TYPE-B RECEPTOR 4, STAUROSPORINE
著者Read, J, Brassington, C.A, Overmann, R.
登録日2012-10-13
公開日2013-10-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Stability and Solubility Engineering of the Ephb4 Tyrosine Kinase Catalytic Domain Using a Rationally Designed Synthetic Library.
Protein Eng.Des.Sel., 26, 2013

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