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3EQF
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X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a binary complex with K252A and MG2P
分子名称: CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, K-252A, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
4IJP
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BU of 4ijp by Molmil
Crystal Structure of Human PRPF4B kinase domain in complex with 4-{5-[(2-Chloro-pyridin-4-ylmethyl)-carbamoyl]-thiophen-2-yl}-benzo[b]thiophene-2-carboxylic acid amine
分子名称: 4-(5-{[(2-chloropyridin-4-yl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
登録日2012-12-22
公開日2013-08-28
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
2DPW
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BU of 2dpw by Molmil
Hpothetical Transferase Structure from Thermus thermophilus
分子名称: Hypothetical protein TTHA0179, SODIUM ION
著者Rehse, P.H, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2006-05-17
公開日2007-05-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Hypothetical Transferase from Thermus thermophilus
To be Published
3ETG
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BU of 3etg by Molmil
Glutamate dehydrogenase complexed with GW5074
分子名称: (3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Li, M, Smith, T.J.
登録日2008-10-07
公開日2009-06-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Inhibitors Complexed with Glutamate Dehydrogenase: ALLOSTERIC REGULATION BY CONTROL OF PROTEIN DYNAMICS
J.Biol.Chem., 284, 2009
4IKP
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BU of 4ikp by Molmil
Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin
分子名称: (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ...
著者Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
登録日2012-12-27
公開日2013-02-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
3O0F
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BU of 3o0f by Molmil
Crystal structure of a putative metal-dependent phosphoesterase (BAD_1165) from bifidobacterium adolescentis atcc 15703 at 1.94 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2010-07-19
公開日2010-08-25
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of a metal-dependent phosphoesterase (YP_910028.1) from Bifidobacterium adolescentis: Computational prediction and experimental validation of phosphoesterase activity.
Proteins, 79, 2011
3ETD
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BU of 3etd by Molmil
Structure of glutamate dehydrogenase complexed with bithionol
分子名称: 2,2'-sulfanediylbis(4,6-dichlorophenol), GLUD1 protein, GLUTAMIC ACID, ...
著者Li, M, Smith, T.J.
登録日2008-10-07
公開日2009-06-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Novel Inhibitors Complexed with Glutamate Dehydrogenase: ALLOSTERIC REGULATION BY CONTROL OF PROTEIN DYNAMICS
J.Biol.Chem., 284, 2009
3EUZ
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BU of 3euz by Molmil
Crystal Structure of Ribonuclease A in 50% Dimethylformamide
分子名称: DIMETHYLFORMAMIDE, Ribonuclease pancreatic
著者Dechene, M, Wink, G, Smith, M, Swartz, P, Mattos, C.
登録日2008-10-12
公開日2009-06-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Multiple solvent crystal structures of ribonuclease A: An assessment of the method
Proteins, 76, 2009
3NUN
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BU of 3nun by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with lead compound
分子名称: 6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine, GLYCEROL, PkB-like, ...
著者Campobasso, N, Ward, P.
登録日2010-07-07
公開日2011-06-22
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery
TO BE PUBLISHED
4IMG
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BU of 4img by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
分子名称: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid, N-acetylneuraminate lyase
著者Fisher, A.J, Huynh, N.
登録日2013-01-02
公開日2013-11-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4INW
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BU of 4inw by Molmil
Structure of Pheromone-binding protein 1 in complex with (11Z,13Z)-hexadecadienal
分子名称: (11Z,13Z)-hexadeca-11,13-dienal, Pheromone-binding protein 1
著者di Luccio, E, Wilson, D.K.
登録日2013-01-07
公開日2013-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
3EQH
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BU of 3eqh by Molmil
X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a ternary complex with U0126, ADP and MG2P
分子名称: (2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Fischmann, T.O.
登録日2008-09-30
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MEK1 Binary and Ternary Complexes with Nucleotides and Inhibitors.
Biochemistry, 48, 2009
2DWU
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BU of 2dwu by Molmil
Crystal Structure of Glutamate Racemase Isoform RacE1 from Bacillus anthracis
分子名称: D-GLUTAMIC ACID, GLYCEROL, Glutamate racemase, ...
著者Mehboob, S, Santarsiero, B.D, Johnson, M.E.
登録日2006-08-17
公開日2007-06-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Analysis of Two Glutamate Racemase Isozymes from Bacillus anthracis and Implications for Inhibitor Design
J.Mol.Biol., 371, 2007
4LB4
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BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
3ESM
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BU of 3esm by Molmil
Crystal structure of an uncharacterized protein from Nocardia farcinica reveals an immunoglobulin-like fold
分子名称: DIMETHYL SULFOXIDE, SULFATE ION, uncharacterized protein
著者Bonanno, J.B, Freeman, J, Bain, K.T, Hu, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-10-06
公開日2008-10-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of an uncharacterized protein from Nocardia farcinica reveals an immunoglobulin-like fold
To be Published
4IBO
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BU of 4ibo by Molmil
Crystal structure of a putative gluconate dehydrogenase from agrobacterium tumefaciens (target EFI-506446)
分子名称: CHLORIDE ION, Gluconate dehydrogenase, MAGNESIUM ION
著者Vetting, M.W, Bouvier, J.T, Groninger-Poe, F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2012-12-09
公開日2012-12-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of a putative gluconate dehydrogenase from agrobacterium tumefaciens (target EFI-506446)
To be Published
3O2J
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BU of 3o2j by Molmil
Structure of the GluA2 NTD-dimer interface mutant, N54A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
著者Rossmann, M, Sukumaran, M, Penn, A.C, Veprintsev, D.B, Greger, I.H.
登録日2010-07-22
公開日2011-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Subunit-selective N-terminal domain associations organize the formation of AMPA receptor heteromers
Embo J., 30, 2011
3ETX
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BU of 3etx by Molmil
Crystal structure of bacterial adhesin FadA L14A mutant
分子名称: Adhesin A
著者Nithianantham, S, Xu, M, Wu, N, Shoham, M, Han, Y.W.
登録日2008-10-08
公開日2008-12-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structure of FadA Adhesin from Fusobacterium nucleatum Reveals a Novel Oligomerization Motif, the Leucine Chain.
J.Biol.Chem., 284, 2009
4IDC
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BU of 4idc by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADPH and HDMF
分子名称: (2R)-4-hydroxy-2,5-dimethylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Schiefner, A, Skerra, A.
登録日2012-12-12
公開日2013-04-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
3EUB
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BU of 3eub by Molmil
Crystal Structure of Desulfo-Xanthine Oxidase with Xanthine
分子名称: FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, HYDROXY(DIOXO)MOLYBDENUM, ...
著者Pauff, J.M, Cao, H, Hille, R.
登録日2008-10-09
公開日2009-01-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Substrate Orientation and Catalysis at the Molybdenum Site in Xanthine Oxidase: CRYSTAL STRUCTURES IN COMPLEX WITH XANTHINE AND LUMAZINE.
J.Biol.Chem., 284, 2009
4LBS
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BU of 4lbs by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,6-difluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-21
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.76 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
4LFB
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BU of 4lfb by Molmil
Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
分子名称: 16S rRNA, MAGNESIUM ION, NEOMYCIN, ...
著者Demirci, H, Belardinelli, R, Carr, J, Murphy IV, F, Jogl, G, Dahlberg, A.E, Gregory, S.T.
登録日2013-06-26
公開日2014-07-02
実験手法X-RAY DIFFRACTION (3.009 Å)
主引用文献Crystal Structure of 30S ribosomal subunit from Thermus thermophilus
to be published, 2013
4IFR
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BU of 4ifr by Molmil
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
3F0S
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BU of 3f0s by Molmil
Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
分子名称: 5-[(3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
著者Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
登録日2008-10-25
公開日2009-10-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystallographic Complexes of Wildtype and Mutant MRSA DHFR Reveal Interactions for Lead Design
To be Published
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

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