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3UVP
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Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone
分子名称: Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside
著者Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D.
登録日2011-11-30
公開日2012-11-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors.
J.Med.Chem., 55, 2012
3UW1
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Crystal structure of ribose-5-phosphate isomerase a from burkholderia thailandensis with ribose-5-phosphate
分子名称: RIBOSE-5-PHOSPHATE, Ribose-5-phosphate isomerase A
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-11-30
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3UQU
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BU of 3uqu by Molmil
Crystal structure of BACE1 with its inhibitor
分子名称: Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ...
著者Chen, T.T, Chen, W.Y, Xu, Y.C.
登録日2011-11-21
公開日2012-11-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations
to be published
3V51
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
分子名称: 3-{6-[(3-chlorobenzyl)oxy]naphthalen-2-yl}-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-15
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
分子名称: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-16
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
3V5P
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Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1288
分子名称: 3-(4-methoxy-3-methylphenyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-12-16
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3UW2
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BU of 3uw2 by Molmil
X-ray Crystal Structure of Phosphoglucomutase/phosphomannomutase family protein (BTH_I1489)from Burkholderia thailandensis
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHATE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-11-30
公開日2012-02-01
最終更新日2013-10-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3V60
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Structure of S. cerevisiae PCNA conjugated to SUMO on lysine 164
分子名称: Proliferating cell nuclear antigen, SULFATE ION, Ubiquitin-like protein SMT3
著者Armstrong, A.A, Mohideen, F, Lima, C.D.
登録日2011-12-18
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Recognition of SUMO-modified PCNA requires tandem receptor motifs in Srs2.
Nature, 483, 2012
3UWS
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Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, hypothetical protein
著者Joint Center for Structural Genomics (JCSG)
登録日2011-12-02
公開日2012-06-13
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure and Activity Studies of the C11 Cysteine Peptidase from Parabacteroides merdae in the Human Gut Microbiome.
J.Biol.Chem., 291, 2016
3SX8
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BU of 3sx8 by Molmil
Crystal structure of ABBA+UDP+Gal with MPD as the cryoprotectant
分子名称: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXE
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BU of 3sxe by Molmil
Crystal structure of AAAA+UDP+Gal with Glycerol as the cryoprotectant
分子名称: Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
著者Johal, A.R, Evans, S.V.
登録日2011-07-14
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SS6
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BU of 3ss6 by Molmil
Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase
分子名称: Acetyl-CoA acetyltransferase, POTASSIUM ION, SULFATE ION
著者Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Peterson, S.N, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-07
公開日2011-07-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the Bacillus anthracis acetyl-CoA acetyltransferase
TO BE PUBLISHED
3SYP
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BU of 3syp by Molmil
Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) R201A mutant
分子名称: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION
著者Whorton, M.R, MacKinnon, R.
登録日2011-07-18
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium.
Cell(Cambridge,Mass.), 147, 2011
3STC
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BU of 3stc by Molmil
Crystal structure of loop 7 truncated mutant of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
分子名称: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, SODIUM ION
著者Allison, T.M, Jameson, G.B, Parker, E.J.
登録日2011-07-09
公開日2011-11-23
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献An Extended (beta)7(alpha)7 Substrate-Binding Loop Is Essential for Efficient Catalysis by 3-Deoxy-D-manno-Octulosonate 8-Phosphate Synthase
Biochemistry, 50, 2011
3STW
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Crystal Structure of tomato Methylketone Synthase I complexed with 2-tridecanone
分子名称: Methylketone synthase 1, tridec-12-en-2-one
著者Auldridge, M.E, Austin, M.B, Noel, J.P.
登録日2011-07-11
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Emergent Decarboxylase Activity and Attenuation of alpha/beta-Hydrolase Activity during the Evolution of Methylketone Biosynthesis in Tomato.
Plant Cell, 24, 2012
3T00
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BU of 3t00 by Molmil
Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in complex with vanadate
分子名称: NICKEL (II) ION, VANADATE ION, ZINC ION, ...
著者Agarwal, V, Nair, S.K.
登録日2011-07-19
公開日2011-08-03
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 mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Chem.Biol., 18, 2011
3SY3
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BU of 3sy3 by Molmil
GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis
分子名称: GBAA_1210 protein, PHOSPHATE ION
著者Osipiuk, J, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2011-07-15
公開日2011-07-27
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献GBAA_1210 protein, a putative adenylate cyclase, from Bacillus anthracis.
To be Published
3SYO
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BU of 3syo by Molmil
Crystal structure of the G protein-gated inward rectifier K+ channel GIRK2 (Kir3.2) in complex with sodium
分子名称: G protein-activated inward rectifier potassium channel 2, POTASSIUM ION, SODIUM ION
著者Whorton, M.R, MacKinnon, R.
登録日2011-07-18
公開日2011-10-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.54 Å)
主引用文献Crystal Structure of the Mammalian GIRK2 K(+) Channel and Gating Regulation by G Proteins, PIP(2), and Sodium.
Cell(Cambridge,Mass.), 147, 2011
3T6C
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BU of 3t6c by Molmil
Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, D-gluconic acid, ...
著者Vetting, M.W, Toro, R, Bhosle, R, Wasserman, S.R, Morisco, L.L, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2011-07-28
公開日2011-08-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.598 Å)
主引用文献Crystal structure of an enolase from pantoea ananatis (efi target efi-501676) with bound d-gluconate and mg
to be published
3T8U
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BU of 3t8u by Molmil
Crystal structure of ketosteroid isomerase Y14AY55FD99A from Pseudomonas testosteroni
分子名称: SULFATE ION, Steroid Delta-isomerase
著者Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D.
登録日2011-08-01
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Evaluating the catalytic contribution from the oxyanion hole in ketosteroid isomerase.
J.Am.Chem.Soc., 133, 2011
3T27
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Orthorhombic trypsin (bovine) in the presence of betaine
分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
著者Venkat, M, Saxby, C, Cahn, J, Juers, D.
登録日2011-07-22
公開日2011-12-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3TAW
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BU of 3taw by Molmil
Crystal structure of a putative glycoside hydrolase (BDI_3141) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Hypothetical glycoside hydrolase, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2011-08-04
公開日2011-08-24
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of a Hypothetical glycoside hydrolase (BDI_3141) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
To be published
3T55
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Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS) in complex with Phenoxymethyl Benzoic Acid (PMBA)
分子名称: 3-(phenoxymethyl)benzoic acid, Indole-3-glycerol phosphate synthase, MALONATE ION, ...
著者Reddy, M.C.M, Bruning, J.B, Thurman, C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2011-07-26
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural Insights and Inhibition of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS): an Essential Enzyme for Tryptophan Biosynthesis
To be Published
3TBJ
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The 1.7A crystal structure of Actibind a T2 ribonucleases as antitumorigenic agents
分子名称: 1,2-ETHANEDIOL, 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Almog, O, Gonzalez, A.
登録日2011-08-07
公開日2012-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A crystal structure of ACTIBIND suggests a mode of action for T2 ribonucleases as antitumorigenic agents.
J.Med.Chem., 55, 2012
3SOX
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Structure of UHRF1 PHD finger in the free form
分子名称: E3 ubiquitin-protein ligase UHRF1, ZINC ION
著者Rajakumara, E, Patel, D.J.
登録日2011-06-30
公開日2011-08-03
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6501 Å)
主引用文献PHD Finger Recognition of Unmodified Histone H3R2 Links UHRF1 to Regulation of Euchromatic Gene Expression.
Mol.Cell, 43, 2011

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