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5EF6
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BU of 5ef6 by Molmil
Structure of HOXB13 complex with methylated DNA
分子名称: DNA (5'-D(P*GP*GP*AP*CP*CP*TP*(5CM)P*GP*TP*AP*AP*AP*AP*CP*AP*CP*AP*A)-3'), DNA (5'-D(P*TP*TP*GP*TP*GP*TP*TP*TP*TP*AP*(5CM)P*GP*AP*GP*GP*TP*CP*C)-3'), Homeobox protein Hox-B13
著者Morgunova, E, Yin, Y, Jolma, A, Popov, A, Taipale, J.
登録日2015-10-23
公開日2017-02-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Impact of cytosine methylation on DNA binding specificities of human transcription factors.
Science, 356, 2017
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
4J7R
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BU of 4j7r by Molmil
Crystal Structure of Chlamydomonas reinhardtii Isoamylase 1 (ISA1)
分子名称: Isoamylase
著者Sim, L, Palcic, M.
登録日2013-02-14
公開日2014-03-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of the Chlamydomonas Starch Debranching Enzyme Isoamylase ISA1 Reveals Insights into the Mechanism of Branch Trimming and Complex Assembly.
J.Biol.Chem., 289, 2014
5H6I
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BU of 5h6i by Molmil
Crystal Structure of GBS CAMP Factor
分子名称: CHLORIDE ION, Protein B, SULFATE ION
著者Jin, T.C, Brefo-Mensah, E.K.
登録日2016-11-13
公開日2017-11-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of theStreptococcus agalactiaeCAMP factor provides insights into its membrane-permeabilizing activity.
J.Biol.Chem., 293, 2018
4K2F
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BU of 4k2f by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A08522488
分子名称: (2S)-(4-chlorophenyl)(6-chloropyridin-2-yl)ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ
著者Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M.
登録日2013-04-09
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
4K2G
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BU of 4k2g by Molmil
Structure of Pseudomonas aeruginosa PvdQ bound to BRD-A33442372
分子名称: (2S)-(4-fluorophenyl)[6-(trifluoromethyl)pyridin-2-yl]ethanenitrile, 1,2-ETHANEDIOL, Acyl-homoserine lactone acylase PvdQ
著者Drake, E.J, Wurst, J.M, Theriault, J.R, Munoz, B, Gulick, A.M.
登録日2013-04-09
公開日2014-06-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.
Acs Chem.Biol., 9, 2014
8BA4
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BU of 8ba4 by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Bemcentinib
分子名称: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-11
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA3
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Crystal structure of JAK2 JH2 in complex with Bemcentinib
分子名称: 1-(3,4-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-5-yl)-~{N}3-[(7~{S})-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-11
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B99
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Crystal structure of JAK2 JH2-V617F in complex with JNJ-7706621
分子名称: 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-05
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8U
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BU of 8b8u by Molmil
Crystal structure of JAK2 JH2-V617F in complex with HTS-A3
分子名称: 3,5-diphenyl-2-(trifluoromethyl)-1~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-05
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9H
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BU of 8b9h by Molmil
Crystal structure of JAK2 JH2 in complex with Z902-A3
分子名称: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-06
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B9E
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BU of 8b9e by Molmil
Crystal structure of JAK2 JH2-V617F in complex with Z902-A3
分子名称: 6-[[methyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-~{N}4-phenyl-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-05
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BAK
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Crystal structure of JAK2 JH2-V617F in complex with Reversine
分子名称: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-11
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BAB
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BU of 8bab by Molmil
Crystal structure of JAK2 JH2-V617F in complex with CB76
分子名称: 6-[(1-methylimidazol-2-yl)sulfanylmethyl]-~{N}4-(3-methylphenyl)-1,3,5-triazine-2,4-diamine, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-11
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8B8N
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Crystal structure of JAK2 JH2-V617F in complex with Cdk2 inhibitor IV
分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, GLYCEROL, Tyrosine-protein kinase JAK2
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-04
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8BA2
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Crystal structure of JAK2 JH2-V617F in complex with Z902-A1
分子名称: 6-[[(5-bromanylthiophen-2-yl)methyl-methyl-amino]methyl]-~{N}4-(4-methylphenyl)-1,3,5-triazine-2,4-diamine, ACETATE ION, GLYCEROL, ...
著者Haikarainen, T, Silvennoinen, O.
登録日2022-10-11
公開日2023-02-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX1
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BU of 8ex1 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with Reversine
分子名称: GLYCEROL, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX0
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BU of 8ex0 by Molmil
Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with CDK2-IV
分子名称: 4-{[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino}-N,N-diethylbenzamide, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
8EX2
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Crystal structure of JAK2 JH2 (pseudokinase domain) in complex with HTSA3
分子名称: 3,5-diphenyl-2-(trifluoromethyl)-6~{H}-pyrazolo[1,5-a]pyrimidin-7-one, GLYCEROL, Tyrosine-protein kinase JAK2
著者Sampathkumar, P, Hubbard, S.R.
登録日2022-10-24
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of Novel Small Molecule Ligands for JAK2 Pseudokinase Domain.
Pharmaceuticals, 16, 2023
5EHP
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BU of 5ehp by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP836
分子名称: 5-[2,3-bis(chloranyl)phenyl]-2-[(3~{R},5~{S})-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
著者Stams, T, Fodor, M.
登録日2015-10-28
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Allosteric Inhibition of SHP2: Identification of a Potent, Selective, and Orally Efficacious Phosphatase Inhibitor.
J.Med.Chem., 59, 2016
1QSU
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BU of 1qsu by Molmil
CRYSTAL STRUCTURE OF THE TRIPLE-HELICAL COLLAGEN-LIKE PEPTIDE, (PRO-HYP-GLY)4-GLU-LYS-GLY(PRO-HYP-GLY)5
分子名称: PROTEIN ((PRO-HYP-GLY)4- GLU-LYS-GLY(PRO-HYP-GLY)5)
著者Kramer, R.Z, Venugopal, M, Bella, J, Brodsky, B, Berman, H.M.
登録日1999-06-23
公開日2000-08-30
最終更新日2018-04-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Staggered molecular packing in crystals of a collagen-like peptide with a single charged pair.
J.Mol.Biol., 301, 2000
5DGG
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BU of 5dgg by Molmil
Central domain of uncharacterized Lpg1148 protein from Legionella pneumophila
分子名称: CHLORIDE ION, Uncharacterized protein
著者Osipiuk, J, Evdokimova, E, Yim, V, Joachimiak, A, Ensminger, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-08-27
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol. Syst. Biol., 12, 2016
5Y2G
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Structure of MBP tagged GBS CAMP
分子名称: Maltose-binding periplasmic protein,Protein B, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Jin, T, Li, Y.
登録日2017-07-25
公開日2019-02-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure determination of the CAMP factor of Streptococcus agalactiae with the aid of an MBP tag and insights into membrane-surface attachment.
Acta Crystallogr D Struct Biol, 75, 2019
4OKD
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BU of 4okd by Molmil
Crystal Structure of Chlamydomonas reinhardtii Isoamylase 1 (ISA1) in complex with maltoheptaose
分子名称: Isoamylase, alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Sim, L, Palcic, M.
登録日2014-01-22
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Chlamydomonas Starch Debranching Enzyme Isoamylase ISA1 Reveals Insights into the Mechanism of Branch Trimming and Complex Assembly.
J.Biol.Chem., 289, 2014
6C06
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Mycobacterium tuberculosis RNAP Holo/RbpA/Fidaxomicin
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J, Lilic, M.
登録日2017-12-27
公開日2018-03-28
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.15 Å)
主引用文献Fidaxomicin jamsMycobacterium tuberculosisRNA polymerase motions needed for initiation via RbpA contacts.
Elife, 7, 2018

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