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3V5L
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BU of 3v5l by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
分子名称: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-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 (1.86 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
5YFG
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BU of 5yfg by Molmil
SOLUTION STRUCTURE OF HUMAN MOG1
分子名称: Ran guanine nucleotide release factor
著者Hu, Q, Liu, Y, Bao, X, Liu, H.
登録日2017-09-21
公開日2017-11-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation
J Mol Cell Biol, 10, 2018
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
8I3U
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BU of 8i3u by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ...
著者Li, Z, Yu, F, Cao, S.
登録日2023-01-18
公開日2023-10-04
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
3VF9
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BU of 3vf9 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Thienopyrazolylindole Inhibitor 027
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 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
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
分子名称: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
著者McLean, L.R, Zhang, Y.
登録日2011-12-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 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
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
分子名称: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
著者Yan, X.E, Yun, C.H.
登録日2017-11-21
公開日2017-12-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
3VF8
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BU of 3vf8 by Molmil
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416
分子名称: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,1-diethylurea, Tyrosine-protein kinase SYK
著者McLean, L.R, Zhang, Y.
登録日2012-01-09
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.08 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
5HU9
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BU of 5hu9 by Molmil
Crystal structure of ABL1 in complex with CHMFL-074
分子名称: 1,2-ETHANEDIOL, 4-[(4-methylpiperazin-1-yl)methyl]-N-(4-methyl-3-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}phenyl)-3-(trifluoromethyl)benzamide, CHLORIDE ION, ...
著者Kong, L.L, Yun, C.H.
登録日2016-01-27
公開日2016-07-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.529 Å)
主引用文献Discovery and characterization of a novel potent type II native and mutant BCR-ABL inhibitor (CHMFL-074) for Chronic Myeloid Leukemia (CML)
Oncotarget, 7, 2016
4LH9
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BU of 4lh9 by Molmil
Crystal structure of the refolded hood domain (Asp256-Gly295) of HetR
分子名称: Heterocyst differentiation control protein
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Chen, Y, Zhou, C.Z.
登録日2013-07-01
公開日2013-07-17
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献Structural and biochemical analyses of Anabaena HetR reveal insights into the cyanobacterial heterocyst development and pattern formation
To be Published
5YS1
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BU of 5ys1 by Molmil
Crystal structure of Multicopper Oxidase CueO G304K mutant
分子名称: Blue copper oxidase CueO, COPPER (II) ION
著者Wang, H.Q, Liu, X.Q, Zhao, J.T, Yue, Q.X, Yan, Y.H, Dong, Y.H, Fan, Y.L, Tian, J, Wu, N.F, Gong, Y.
登録日2017-11-12
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structures of multicopper oxidase CueO G304K mutant: structural basis of the increased laccase activity
Sci Rep, 8, 2018
5YS5
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BU of 5ys5 by Molmil
Crystal structure of Multicopper Oxidase CueO G304K mutant with seven copper ions
分子名称: Blue copper oxidase CueO, COPPER (II) ION
著者Wang, H.Q, Liu, X.Q, Zhao, J.T, Yue, Q.X, Yan, Y.H, Dong, Y.H, Fan, Y.L, Tian, J, Wu, N.F, Gong, Y.
登録日2017-11-13
公開日2018-10-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of multicopper oxidase CueO G304K mutant: structural basis of the increased laccase activity
Sci Rep, 8, 2018
8IL3
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BU of 8il3 by Molmil
Cryo-EM structure of CD38 in complex with FTL004
分子名称: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain
著者Yang, J, Wang, Y, Zhang, G.
登録日2023-03-01
公開日2023-03-29
実験手法ELECTRON MICROSCOPY (3.86 Å)
主引用文献FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma.
J Hematol Oncol, 15, 2022
7LLQ
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BU of 7llq by Molmil
Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity
分子名称: 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ...
著者Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M.
登録日2021-02-04
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation.
Sci Rep, 12, 2022
6FBV
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BU of 6fbv by Molmil
Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with 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Das, K, Lin, W, Ebright, E.
登録日2017-12-19
公開日2018-02-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Structural Basis of Transcription Inhibition by Fidaxomicin (Lipiarmycin A3).
Mol. Cell, 70, 2018
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
1AVO
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BU of 1avo by Molmil
PROTEASOME ACTIVATOR REG(ALPHA)
分子名称: 11S REGULATOR
著者Hill, C.P, Knowlton, J.R.
登録日1997-09-18
公開日1997-12-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the proteasome activator REGalpha (PA28alpha).
Nature, 390, 1997
4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
分子名称: Transcription regulator GlnR
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4O1I
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BU of 4o1i by Molmil
Crystal Structure of the regulatory domain of MtbGlnR
分子名称: Transcriptional regulatory protein
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
4RUL
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BU of 4rul by Molmil
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
分子名称: DNA topoisomerase 1, GLYCEROL, SULFATE ION, ...
著者Tan, K, Chen, B, Tse-Dinh, Y.C.
登録日2014-11-20
公開日2015-11-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I.
Nucleic Acids Res., 43, 2015
6LS4
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BU of 6ls4 by Molmil
A novel anti-tumor agent S-40 in complex with tubulin
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide, GLYCEROL, ...
著者Du, T, Lin, S, Ji, M, Xue, N, Liu, Y, Zhang, K, Lu, D, Chen, X, Xu, H.
登録日2020-01-17
公開日2021-01-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel orally active microtubule destabilizing agent S-40 targets the colchicine-binding site and shows potent antitumor activity.
Cancer Lett., 495, 2020
4U68
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BU of 4u68 by Molmil
Crystal structure of Rhino chromodomain in complex with H3K9me3
分子名称: H3K9me3, Rhino
著者Yu, B.W, Huang, Y.
登録日2014-07-28
公開日2015-08-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into Rhino-mediated germline piRNA cluster formation
Cell Res., 25, 2015
7PGO
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BU of 7pgo by Molmil
Crystal Structure of a Class D Carbapenemase_R250A
分子名称: 1-BUTANOL, BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-15
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PFN
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Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
分子名称: 1-BUTANOL, Beta-lactamase, Imipenem, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023

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