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PDB: 17822 件

4IR6
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Crystal Structure of the bromodomain of human BAZ2B in complex with 1-{1-[2-(METHYLSULFONYL)PHENYL]-7-PHENOXYINDOLIZIN-3-YL}ETHANONE (GSK2838097A)
分子名称: 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-phenoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2B
著者Chaikuad, A, Felletar, I, Chung, C.W, Drewry, D, Chen, P, Filippakopoulos, P, Fedorov, O, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-01-14
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B.
J.Med.Chem., 59, 2016
4H4D
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IspH in complex with (E)-4-amino-3-methylbut-2-enyl diphosphate
分子名称: (2E)-4-amino-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Eisenreich, W, Jauch, J, Bacher, A, Groll, M.
登録日2012-09-17
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structures of Fluoro, Amino, and Thiol Inhibitors Bound to the [Fe(4) S(4) ] Protein IspH.
Angew.Chem.Int.Ed.Engl., 52, 2013
4H6O
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BU of 4h6o by Molmil
Sterol 14-alpha demethylase (CYP51)from Trypanosoma cruzi in complex with the inhibitor NEU321 (1-(3-(4-chloro-3,5-dimethylphenoxy)benzyl)-1H-imidazole
分子名称: 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase
著者Wawrzak, Z, Hargrove, T.Y, Pollastri, M.P, Lepesheva, G.I.
登録日2012-09-19
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Antitrypanosomal Lead Discovery: Identification of a Ligand-Efficient Inhibitor of Trypanosoma cruzi CYP51 and Parasite Growth.
J.Med.Chem., 56, 2013
4HH1
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BU of 4hh1 by Molmil
Dark-state structure of AppA wild-type without the Cys-rich region from Rb. sphaeroides
分子名称: AppA protein, FLAVIN MONONUCLEOTIDE
著者Winkler, A, Heintz, U, Lindner, R, Reinstein, J, Shoeman, R, Schlichting, I.
登録日2012-10-09
公開日2013-06-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献A ternary AppA-PpsR-DNA complex mediates light regulation of photosynthesis-related gene expression.
Nat.Struct.Mol.Biol., 20, 2013
4GRA
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BU of 4gra by Molmil
Crystal structure of SULT1A1 bound with PAP
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1A1
著者Kim, J, Cook, I, Wang, T, Falany, C.N, Leyh, T.S, Almo, S.C.
登録日2012-08-24
公開日2013-01-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献The gate that governs sulfotransferase selectivity.
Biochemistry, 52, 2013
4GZF
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Multi-drug resistant HIV-1 protease 769 variant with reduced LrF peptide
分子名称: LrF peptide, Protease
著者Dewdney, T.G, Wang, Y, Kovari, I.A, Brunzelle, J.S, Reiter, S.J, Kovari, L.C.
登録日2012-09-06
公開日2013-10-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.
Bioorg.Med.Chem., 21, 2013
4H3Q
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Crystal structure of human ERK2 complexed with a MAPK docking peptide
分子名称: Dual specificity mitogen-activated protein kinase kinase 2, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Gogl, G, Toeroe, I, Remenyi, A.
登録日2012-09-14
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
4I78
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Crystal structure of a subtype H17 hemagglutinin homologue from A/little yellow-shouldered bat/Guatemala/060/2010 (H17N10)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, Hemagglutinin HA2, ...
著者Zhu, X, Wilson, I.A.
登録日2012-11-30
公開日2013-01-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Hemagglutinin homologue from H17N10 bat influenza virus exhibits divergent receptor-binding and pH-dependent fusion activities.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IBA
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BU of 4iba by Molmil
Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS)
分子名称: DODECYL SULFATE, GLYCEROL, beta-lactoglobulin
著者Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
登録日2012-12-08
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
4IB7
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Bovine beta-lactoglobulin (isoform A) in complex with dodecyltrimethylammonium (DTAC)
分子名称: DODECANE-TRIMETHYLAMINE, beta-lactoglobulin
著者Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
登録日2012-12-08
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
4H3P
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Crystal structure of human ERK2 complexed with a MAPK docking peptide
分子名称: Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1
著者Gogl, G, Toeroe, I, Remenyi, A.
登録日2012-09-14
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-peptide complex crystallization: a case study on the ERK2 mitogen-activated protein kinase
Acta Crystallogr.,Sect.D, 69, 2013
4HF5
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BU of 4hf5 by Molmil
Crystal structure of Fab 8F8 in complex a H2N2 influenza virus hemagglutinin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 8F8 heavy chain, Fab 8F8 light chain, ...
著者Xu, R, Wilson, I.A.
登録日2012-10-04
公開日2013-02-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献A recurring motif for antibody recognition of the receptor-binding site of influenza hemagglutinin.
Nat.Struct.Mol.Biol., 20, 2013
4GSP
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BU of 4gsp by Molmil
RIBONUCLEASE T1 COMPLEXED WITH 2',3'-CGPS + 3'-GMP, 7 DAYS
分子名称: CALCIUM ION, GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE, GUANOSINE-3'-MONOPHOSPHATE, ...
著者Zegers, I, Wyns, L.
登録日1997-12-02
公開日1998-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Hydrolysis of a slow cyclic thiophosphate substrate of RNase T1 analyzed by time-resolved crystallography.
Nat.Struct.Biol., 5, 1998
4GUZ
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Structure of the arylamine N-acetyltransferase from Mycobacterium abscessus
分子名称: Probable arylamine n-acetyl transferase
著者Kubiak, X, Li de la Sierra-Gallay, I, Haouz, A, Weber, P, Rodrigues-Lima, F.
登録日2012-08-30
公開日2013-10-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and functional characterization of an arylamine N-acetyltransferase from the pathogen Mycobacterium abscessus: differences from other mycobacterial isoforms and implications for selective inhibition.
Acta Crystallogr.,Sect.D, 70, 2014
4GCW
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BU of 4gcw by Molmil
Crystal structure of RNase Z in complex with precursor tRNA(Thr)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Ribonuclease Z, TRNA(THR), ...
著者Pellegrini, O, Li de la Sierra-Gallay, I, Piton, J, Gilet, L, Condon, C.
登録日2012-07-31
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Activation of tRNA Maturation by Downstream Uracil Residues in B. subtilis
Structure, 20, 2012
4GCY
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BU of 4gcy by Molmil
Structure of Mycobacterium tuberculosis dUTPase H21W mutant
分子名称: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Toth, J, Vertessy, B.G, Leveles, I, Bendes, A.
登録日2012-07-31
公開日2013-07-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献RAMD identification of substrate binding pathways to the active site of dUTPase
To be Published
4GMO
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Crystal structure of Syo1
分子名称: Putative uncharacterized protein
著者Bange, G, Sinning, I.
登録日2012-08-16
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Synchronizing nuclear import of ribosomal proteins with ribosome assembly.
Science, 338, 2012
4GFQ
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BU of 4gfq by Molmil
2.65 Angstrom Resolution Crystal Structure of Ribosome Recycling Factor (frr) from Bacillus anthracis
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-08-03
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献2.65 Angstrom Resolution Crystal Structure of Ribosome Recycling Factor (frr) from Bacillus anthracis
TO BE PUBLISHED
4GMQ
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Ribosome-binding domain of Zuo1
分子名称: Putative ribosome associated protein
著者Kopp, J, Bange, G, Sinning, I.
登録日2012-08-16
公開日2012-12-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural characterization of a eukaryotic chaperone-the ribosome-associated complex.
Nat.Struct.Mol.Biol., 20, 2013
4IKI
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BU of 4iki by Molmil
Crystal structure of wild-type human transthyretin in complex with indomethacin
分子名称: INDOMETHACIN, Transthyretin
著者Lima, L.M.T.R, Polikarpov, I.
登録日2012-12-26
公開日2013-01-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of wild-type human transthyretin in complex with indomethacin
To be Published
6NRP
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BU of 6nrp by Molmil
Putative short-chain dehydrogenase/reductase (SDR) from Acinetobacter baumannii
分子名称: 3-oxoacyl-ACP reductase FabG
著者Cross, E.M, Smith, K.M, Shaw, K.I, Aragao, D, Forwood, J.K.
登録日2019-01-23
公開日2019-02-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Insights into Acinetobacter baumannii fatty acid synthesis 3-oxoacyl-ACP reductases.
Sci Rep, 11, 2021
4IB6
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BU of 4ib6 by Molmil
Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12)
分子名称: Beta-lactoglobulin, LAURIC ACID
著者Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K.
登録日2012-12-08
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography
J.Mol.Recognit., 26, 2013
4IFR
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2.40 Angstroms X-ray crystal structure of R239A 2-amino-3-carboxymuconate-6-semialdehyde decarboxylase from Pseudomonas fluorescens
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, ZINC ION
著者Huo, L, Davis, I, Chen, L, Liu, A.
登録日2012-12-14
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
4IFK
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Arginines 51 and 239* from a Neighboring Subunit are Essential for Catalysis in a Zinc-dependent Decarboxylase
分子名称: 2-amino-3-carboxymuconate 6-semialdehyde decarboxylase, MAGNESIUM ION, ZINC ION
著者Huo, L, Davis, I, Chen, L, Liu, A.
登録日2012-12-14
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献The power of two: arginine 51 and arginine 239* from a neighboring subunit are essential for catalysis in alpha-amino-beta-carboxymuconate-epsilon-semialdehyde decarboxylase.
J.Biol.Chem., 288, 2013
4IH8
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Crystal structure of TgCDPK1 with inhibitor bound
分子名称: 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Calmodulin-domain protein kinase 1
著者El Bakkouri, M, Tempel, W, Crandall, I, Massad, T, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Kain, K, Hui, R, Structural Genomics Consortium (SGC)
登録日2012-12-18
公開日2014-04-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.877 Å)
主引用文献Crystal structure of TgCDPK1 with inhibitor bound
To be Published

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件を2024-08-14に公開中

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