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5K7G
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IRAK4 in complex with AZ3862
分子名称: (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Ferguson, A.D.
登録日2016-05-26
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
1L10
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BU of 1l10 by Molmil
STRUCTURAL STUDIES OF MUTANTS OF THE LYSOZYME OF BACTERIOPHAGE T4. THE TEMPERATURE-SENSITIVE MUTANT PROTEIN THR157 (RIGHT ARROW) ILE
分子名称: T4 LYSOZYME
著者Dao-Pin, S, Wilson, K, Alber, T, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of mutants of the lysozyme of bacteriophage T4. The temperature-sensitive mutant protein Thr157----Ile.
J.Mol.Biol., 197, 1987
5JW4
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BU of 5jw4 by Molmil
Structure of MEDI8852 Fab Fragment in Complex with H5 HA
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, Hemagglutinin, ...
著者Neu, U, Collins, P.J, Walker, P.A, Vorlaender, M.K, Ogrodowicz, R.W, Martin, S.R, Gamblin, S.J, Skehel, J.J.
登録日2016-05-11
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structure and Function Analysis of an Antibody Recognizing All Influenza A Subtypes.
Cell, 166, 2016
1L16
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BU of 1l16 by Molmil
STRUCTURAL ANALYSIS OF THE TEMPERATURE-SENSITIVE MUTANT OF BACTERIOPHAGE T4 LYSOZYME, GLYCINE 156 (RIGHT ARROW) ASPARTIC ACID
分子名称: T4 LYSOZYME
著者Gray, T.M, Matthews, B.W.
登録日1988-02-05
公開日1988-04-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural analysis of the temperature-sensitive mutant of bacteriophage T4 lysozyme, glycine 156----aspartic acid.
J.Biol.Chem., 262, 1987
2NO4
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Crystal Structure analysis of a Dehalogenase
分子名称: (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, SULFATE ION
著者Schmidberger, J.W, Wilce, M.C.J.
登録日2006-10-24
公開日2007-09-25
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4
J.Mol.Biol., 368, 2007
2NPW
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BU of 2npw by Molmil
Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin
著者Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
2NQ1
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Solution Structures of a DNA Dodecamer Duplex
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3'
著者Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
5KHS
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BU of 5khs by Molmil
Crystal structures of the Burkholderia multivorans hopanoid transporter HpnN
分子名称: Putative RND superfamily efflux pump membrane protein
著者Su, C.-C, Yu, E.W.
登録日2016-06-15
公開日2017-06-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.758 Å)
主引用文献Crystal structures of the Burkholderia multivorans hopanoid transporter HpnN.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5JWF
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BU of 5jwf by Molmil
Crystal structure of Porphyromonas gingivalis DPP11
分子名称: Asp/Glu-specific dipeptidyl-peptidase, GLYCEROL, S-1,2-PROPANEDIOL
著者Bezerra, G.A, Fedosyuk, S, Ohara-Nemoto, Y, Nemoto, T.K, Djinovic-Carugo, K.
登録日2016-05-12
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Bacterial protease uses distinct thermodynamic signatures for substrate recognition.
Sci Rep, 7, 2017
5JWP
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Crystal structure of human FIH D201E variant in complex with Zn, alpha-ketoglutarate, and HIF1 alpha peptide.
分子名称: 2-OXOGLUTARIC ACID, GLYCEROL, Hypoxia-inducible factor 1-alpha, ...
著者Taabazuing, C.Y, Garman, S.C, Eron, S, Knapp, M.J.
登録日2016-05-12
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The facial triad in the alpha-ketoglutarate dependent oxygenase FIH: A role for sterics in linking substrate binding to O2 activation.
J.Inorg.Biochem., 166, 2016
2NO5
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BU of 2no5 by Molmil
Crystal Structure analysis of a Dehalogenase with intermediate complex
分子名称: (2S)-2-CHLOROPROPANOIC ACID, (S)-2-haloacid dehalogenase IVA, CHLORIDE ION, ...
著者Schmidberger, J.W, Wilce, M.C.J.
登録日2006-10-24
公開日2007-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of the substrate free-enzyme, and reaction intermediate of the HAD superfamily member, haloacid dehalogenase DehIVa from Burkholderia cepacia MBA4
J.Mol.Biol., 368, 2007
5K76
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BU of 5k76 by Molmil
IRAK4 in complex with Compound 28
分子名称: Interleukin-1 receptor-associated kinase 4, ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
著者Ferguson, A.D.
登録日2016-05-25
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
5K7I
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BU of 5k7i by Molmil
IRAK4 in complex with AZ3864
分子名称: (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one, Interleukin-1 receptor-associated kinase 4, SULFATE ION
著者Ferguson, A.D.
登録日2016-05-26
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
2NNQ
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BU of 2nnq by Molmil
Crystal structure of human adipocyte fatty acid binding protein in complex with ((2'-(5-ethyl-3,4-diphenyl-1H-pyrazol-1-yl)-3-biphenylyl)oxy)acetic acid
分子名称: ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID, Fatty acid-binding protein, adipocyte, ...
著者Jacobson, B.L.
登録日2006-10-24
公開日2007-06-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).
Bioorg.Med.Chem.Lett., 17, 2007
5JWK
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BU of 5jwk by Molmil
Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate
分子名称: 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, FE (II) ION, ...
著者Taabazuing, C.Y, Garman, S.C, Knapp, M.J, Eron, S.
登録日2016-05-12
公開日2017-05-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Factor Inhibiting HIF D201E in Complex with Fe, and Alpha-Ketoglutarate
To Be Published
2NQ0
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BU of 2nq0 by Molmil
Solution Structures of a DNA Dodecamer Duplex with a Cisplatin 1,2-d(GG) Intrastrand Cross-Link
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3', Cisplatin
著者Wu, Y, Bhattacharyya, D, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
2NQ4
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BU of 2nq4 by Molmil
Solution Structures of a DNA Dodecamer Duplex
分子名称: 5'-D(*CP*CP*TP*CP*AP*GP*GP*CP*CP*TP*CP*C)-3', 5'-D(*GP*GP*AP*GP*GP*CP*CP*TP*GP*AP*GP*G)-3'
著者Bhattacharyya, D, Wu, Y, Chaney, S, Campbell, S.
登録日2006-10-30
公開日2007-06-12
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution Structures of a DNA Dodecamer Duplex with and without a Cisplatin 1,2-d(GG) Intrastrand Cross-Link: Comparison with the Same DNA Duplex Containing an Oxaliplatin 1,2-d(GG) Intrastrand Cross-Link
Biochemistry, 46, 2007
5JY9
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BU of 5jy9 by Molmil
An iron-bound structure of the salicylate synthase Irp9
分子名称: ACETATE ION, FE (II) ION, Putative salicylate synthetase, ...
著者Meneely, K.M, Lamb, A.L.
登録日2016-05-13
公開日2016-07-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献An Open and Shut Case: The Interaction of Magnesium with MST Enzymes.
J.Am.Chem.Soc., 138, 2016
2N8D
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In silico designed antimicrobial peptide Lavracin
分子名称: antimicrobial peptide Lavracin
著者Pillong, M, Blatter, M, Schneider, G.
登録日2015-10-13
公開日2017-01-18
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Rational Design of Membrane-Pore-Forming Peptides.
Small, 13, 2017
5KD7
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BU of 5kd7 by Molmil
Crystal Structure of Murine MHC-I H-2Dd in complex with Murine Beta2-Microglobulin and a Variant of Peptide (PV9) of HIV gp120 MN Isolate (IGPGRAFYV)
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Jiang, J, Natarajan, K, Margulies, D.
登録日2016-06-07
公開日2017-10-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Effects of Cross-Presentation, Antigen Processing, and Peptide Binding in HIV Evasion of T Cell Immunity.
J. Immunol., 200, 2018
5K75
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IRAK4 in complex with Compound 1
分子名称: Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine
著者Ferguson, A.D.
登録日2016-05-25
公開日2017-12-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88L265P Diffuse Large B-Cell Lymphoma.
J. Med. Chem., 60, 2017
5KH5
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Crystal Structure of Steptococcus pneumoniae Undecaprenyl pyrophosphate Synthase (UPPS) IN COMPLEX WITH ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
分子名称: Isoprenyl transferase, ~{N}-(3-azanyl-3-oxidanylidene-propyl)-5-(1-benzothiophen-5-yl)-1-(phenylmethyl)-~{N}-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
著者Concha, N.O.
登録日2016-06-14
公開日2016-07-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery and Characterization of a Class of Pyrazole Inhibitors of Bacterial Undecaprenyl Pyrophosphate Synthase.
J.Med.Chem., 59, 2016
5KDO
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BU of 5kdo by Molmil
Heterotrimeric complex of the 4 alanine insertion variant of the Gi alpha1 subunit and the Gbeta1-Ggamma1
分子名称: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, ...
著者Kaya, A.I, Lokits, A.D, Gilbert, J, Iverson, T.M, Meiler, J, Hamm, H.E.
登録日2016-06-08
公開日2016-08-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Conserved Hydrophobic Core in G alpha i1 Regulates G Protein Activation and Release from Activated Receptor.
J.Biol.Chem., 291, 2016
5JOS
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BU of 5jos by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-3(P188L).
分子名称: BENZOIC ACID, CITRIC ACID, Cyclohexadienyl dehydratase, ...
著者Clifton, B.E, Carr, P.D, Jackson, C.J.
登録日2016-05-03
公開日2017-05-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献To be published
To Be Published
2N8L
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BU of 2n8l by Molmil
Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the KH3 RNA target
分子名称: Insulin-like growth factor 2 mRNA-binding protein 1, RNA (5'-R(P*GP*CP*AP*CP*AP*CP*CP*C)-3')
著者Nicastro, G, Candel, A.M, Ramos, A, Hollingworth, D.
登録日2015-10-21
公開日2017-01-25
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Zipcode-binding-protein-1 KH3KH4(DD) domains in complex with the RNA target GCACACCC
To be Published

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