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4F9Y
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BU of 4f9y by Molmil
Human P38 alpha MAPK In Complex With a Novel and Selective Small Molecule Inhibitor
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, ...
著者Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2012-05-21
公開日2013-06-05
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4F2P
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BU of 4f2p by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3- ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-08
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with diEtglycol-thio-DADMe-Immucillin-A
Structure, 21, 2013
4F9W
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Human P38alpha MAPK in Complex with a Novel and Selective Small Molecule Inhibitor
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2012-05-21
公開日2013-06-05
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4FA2
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BU of 4fa2 by Molmil
Human P38 alpha Mitogen-Activated Kinase In Complex With SB239063
分子名称: 1,2-ETHANEDIOL, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, BETA-MERCAPTOETHANOL, ...
著者Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M.
登録日2012-05-21
公開日2013-06-05
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of Novel In Vivo Chemical Probes to Address CNS Protein Kinase Involvement in Synaptic Dysfunction.
Plos One, 8, 2013
4F1W
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BU of 4f1w by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine
分子名称: 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE, ...
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-07
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with Adenine
Structure, 21, 2013
4F7Z
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BU of 4f7z by Molmil
Conformational dynamics of exchange protein directly activated by cAMP
分子名称: GLYCEROL, Rap guanine nucleotide exchange factor 4
著者White, M.A, Tsalkova, T.N, Mei, F.C, Liu, T, Woods, V.L, Cheng, X.
登録日2012-05-16
公開日2012-10-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural analyses of a constitutively active mutant of exchange protein directly activated by cAMP.
Plos One, 7, 2012
4F2W
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BU of 4f2w by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with methyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ...
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-08
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with methyl-thio-DADMe-Immucillin-A
Structure, 21, 2013
4F3K
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BU of 4f3k by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A
分子名称: 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, {(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-09
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with homocysteine-DADMe-Immucillin-A
Structure, 21, 2013
4F3C
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BU of 4f3c by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-09
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
Structure, 21, 2013
3LOO
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BU of 3loo by Molmil
Crystal structure of Anopheles gambiae adenosine kinase in complex with P1,P4-di(adenosine-5) tetraphosphate
分子名称: Anopheles gambiae adenosine kinase, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, ...
著者Ho, M.-C, Cassera, M.B, Almo, S.C, Schramm, V.L.
登録日2010-02-04
公開日2011-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A High-Affinity Adenosine Kinase from Anopheles gambiae.
Biochemistry, 50, 2011
4FFS
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BU of 4ffs by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Helicobacter pylori with butyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, CHLORIDE ION, MTA/SAH nucleosidase
著者Haapalainen, A.M, Rinaldo-Matthis, A, Brown, R.L, Norris, G.E, Almo, S.C, Schramm, V.L.
登録日2012-06-01
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Picomolar Transition State Analogue Inhibitor of MTAN as a Specific Antibiotic for Helicobacter pylori.
Biochemistry, 51, 2012
3EWC
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BU of 3ewc by Molmil
Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with MT-coformycin
分子名称: (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION
著者Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C.
登録日2008-10-14
公開日2009-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases.
Biochemistry, 48, 2009
3MP9
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BU of 3mp9 by Molmil
Structure of Streptococcal protein G B1 domain at pH 3.0
分子名称: FORMIC ACID, Immunoglobulin G-binding protein G
著者Tomlinson, J.H, Green, V.L, Baker, P.J, Williamson, M.P.
登録日2010-04-26
公開日2011-02-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural origins of pH-dependent chemical shifts in the B1 domain of protein G.
Proteins, 78, 2010
3EWD
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BU of 3ewd by Molmil
Crystal structure of adenosine deaminase mutant (delta Asp172) from Plasmodium vivax in complex with MT-coformycin
分子名称: (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION
著者Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C.
登録日2008-10-14
公開日2009-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases.
Biochemistry, 48, 2009
3NNN
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BU of 3nnn by Molmil
BeF3 Activated DrrD Receiver Domain
分子名称: BERYLLIUM TRIFLUORIDE ION, DNA BINDING RESPONSE REGULATOR D, MAGNESIUM ION
著者Robinson, V.L, Stock, A.M.
登録日2010-06-23
公開日2010-08-11
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Regulation of response regulator autophosphorylation through interdomain contacts.
J.Biol.Chem., 285, 2010
3D4B
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BU of 3d4b by Molmil
Crystal structure of Sir2Tm in complex with Acetyl p53 peptide and DADMe-NAD+
分子名称: 5'-O-[(R)-{[(R)-{[(3R,4R)-1-(3-carbamoylbenzyl)-4-hydroxypyrrolidin-3-yl]methoxy}(hydroxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine, Acetyl P53 peptide, NAD-dependent deacetylase, ...
著者Hawse, W.F, Hoff, K.G, Fatkins, D, Daines, A, Zubkova, O.V, Schramm, V.L, Zheng, W, Wolberger, C.
登録日2008-05-14
公開日2008-09-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into intermediate steps in the Sir2 deacetylation reaction.
Structure, 16, 2008
3NNS
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BU of 3nns by Molmil
BeF3 Activated DrrB Receiver Domain
分子名称: BERYLLIUM TRIFLUORIDE ION, DNA BINDING RESPONSE REGULATOR B, MAGNESIUM ION
著者Robinson, V.L, Stock, A.M.
登録日2010-06-24
公開日2010-08-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Regulation of response regulator autophosphorylation through interdomain contacts.
J.Biol.Chem., 285, 2010
3DGR
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BU of 3dgr by Molmil
Crystal structure of human NAMPT complexed with ADP analogue
分子名称: Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-15
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
3DHF
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BU of 3dhf by Molmil
Crystal structure of phosphorylated mimic form of human NAMPT complexed with nicotinamide mononucleotide and pyrophosphate
分子名称: BERYLLIUM TRIFLUORIDE ION, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, MAGNESIUM ION, ...
著者Ho, M, Burgos, E.S, Almo, S.C, Schramm, V.L.
登録日2008-06-17
公開日2009-08-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A phosphoenzyme mimic, overlapping catalytic sites and reaction coordinate motion for human NAMPT.
Proc.Natl.Acad.Sci.USA, 106, 2009
2OC4
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BU of 2oc4 by Molmil
Crystal structure of human purine nucleoside phosphorylase mutant H257D with Imm-H
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Rinaldo-Matthis, A, Almo, S.C, Schramm, V.L.
登録日2006-12-20
公開日2007-05-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Neighboring Group Participation in the Transition State of Human Purine Nucleoside Phosphorylase
Biochemistry, 46, 2007
3MB8
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Crystal structure of purine nucleoside phosphorylase from toxoplasma gondii in complex with immucillin-H
分子名称: 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL, GLYCEROL, PHOSPHATE ION, ...
著者Ho, M, Almo, S.C, Schramm, V.L.
登録日2010-03-25
公開日2011-04-06
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Inhibition and Structure of Toxoplasma gondii Purine Nucleoside Phosphorylase.
Eukaryot Cell, 13, 2014
3D0O
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BU of 3d0o by Molmil
Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus
分子名称: L-lactate dehydrogenase 1
著者Ho, M, Gutierrez, J.A, Almo, S.C, Schramm, V.L.
登録日2008-05-02
公開日2009-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus
To be Published
3D4P
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BU of 3d4p by Molmil
Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus complexed with NAD and pyruvate
分子名称: L-lactate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRUVIC ACID
著者Schramm, V.L, Almo, S.C, Gutierrez, J.A, Ho, M.
登録日2008-05-14
公開日2009-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Lactate Dehydrogenase from Staphylococcus Aureus complexed with NAD and pyruvate
To be Published
2OV0
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BU of 2ov0 by Molmil
Structure of the blue copper protein Amicyanin to 0.75 A resolution
分子名称: Amicyanin, COPPER (II) ION, PHOSPHATE ION, ...
著者Carrell, C.J, Davidson, V.L, Chen, Z, Cunane, L.M, Trickey, P, Mathews, F.S.
登録日2007-02-12
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.75 Å)
主引用文献Ultrahigh resolution studies of amicyanin
TO BE PUBLISHED
3CMZ
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BU of 3cmz by Molmil
TEM-1 Class-A beta-lactamase L201P mutant apo structure
分子名称: Beta-lactamase TEM, PHOSPHATE ION
著者Marciano, D.C, Wang, X, Wang, J, Chen, Y, Thomas, V.L, Shoichet, B.K, Palzkill, T.
登録日2008-03-24
公開日2008-11-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Genetic and structural characterization of an L201P global suppressor substitution in TEM-1 beta-lactamase
J.Mol.Biol., 384, 2008

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