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8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
分子名称: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
著者Argiriadi, M.A, Ramos, A.L.
登録日2023-10-29
公開日2024-04-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
2RG6
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BU of 2rg6 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J
分子名称: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
2RG5
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BU of 2rg5 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
1L0Q
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BU of 1l0q by Molmil
Tandem YVTN beta-propeller and PKD domains from an archaeal surface layer protein
分子名称: Surface layer protein
著者Jing, H, Takagi, J, Liu, J.-H, Lindgren, S, Zhang, R.-G, Joachimiak, A, Wang, J.-H, Springer, T.A.
登録日2002-02-12
公開日2002-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Archaeal Surface Layer Proteins Contain beta Propeller, PKD, and beta Helix Domains and Are Related to Metazoan Cell Surface Proteins.
Structure, 10, 2002
4NBM
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BU of 4nbm by Molmil
Crystal structure of UVB photoreceptor UVR8 and light-induced structural changes at 180K
分子名称: MAGNESIUM ION, Ultraviolet-B receptor UVR8
著者Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
登録日2013-10-23
公開日2016-10-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NAA
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BU of 4naa by Molmil
Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K
分子名称: MAGNESIUM ION, Ultraviolet-B receptor UVR8
著者Yang, X, Zeng, X, Ren, Z, Zhao, K.H.
登録日2013-10-22
公開日2016-10-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4NCC
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BU of 4ncc by Molmil
Neutralizing antibody to murine norovirus
分子名称: Fab fragment heavy, Fab fragment light
著者Smith, T, Li, M.
登録日2013-10-24
公開日2014-02-19
最終更新日2014-04-09
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Flexibility in surface-exposed loops in a virus capsid mediates escape from antibody neutralization.
J.Virol., 88, 2014
6EB0
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BU of 6eb0 by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI
分子名称: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, ACETATE ION
著者Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Yan, Y, Rose, J.
登録日2018-08-03
公開日2019-05-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
分子名称: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, j, Zhou, M.-M.
登録日2017-01-24
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5KX9
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BU of 5kx9 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
分子名称: (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
著者Fischmann, T.O.
登録日2016-07-20
公開日2016-08-24
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
4DGX
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BU of 4dgx by Molmil
LEOPARD Syndrome-Associated SHP2/Y279C mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
登録日2012-01-27
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
登録日2012-01-26
公開日2013-03-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
著者Yu, Y, Chen, Q.
登録日2017-12-12
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
1KR4
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BU of 1kr4 by Molmil
Structure Genomics, Protein TM1056, cutA
分子名称: Protein TM1056, cutA
著者Savchenko, A, Zhang, R, Joachimiak, A, Edwards, A, Akarina, T, Midwest Center for Structural Genomics (MCSG)
登録日2002-01-08
公開日2002-08-14
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray crystal structure of CutA from Thermotoga maritima at 1.4 A resolution.
Proteins, 54, 2004
5B88
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BU of 5b88 by Molmil
RRM-like domain of DEAD-box protein, CsdA
分子名称: ATP-dependent RNA helicase DeaD
著者Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y.
登録日2016-06-13
公開日2017-05-31
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
4XX3
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BU of 4xx3 by Molmil
Renin in complex with (S)-1-(3-(benzylcarbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-benzyl-3-{[(2Z,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)tetrahydropyrimidin-1(2H)-yl]methyl}benzamide, Renin
著者Orth, P.
登録日2015-01-29
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
6XGC
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BU of 6xgc by Molmil
CryoEM structure of influenza hemagglutinin A/Michigan/45/2015 in complex with cyno antibody 1C4
分子名称: 1C4 Fab heavy chain, 1C4 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Qiu, Y, Zhou, Y.
登録日2020-06-17
公開日2021-03-10
最終更新日2021-03-17
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates.
Sci Transl Med, 13, 2021
5IMX
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BU of 5imx by Molmil
Anaplastic lymphoma kinase (ALK) catalytic domain complexed with novel inhibitor 3-sulfonylpyrazol-4-amino pyrimidine
分子名称: 5-chloro-N~2~-{5-methyl-4-(1-methylpiperidin-4-yl)-2-[(propan-2-yl)oxy]phenyl}-N~4~-{1-methyl-3-[(propan-2-yl)sulfonyl]-1H-pyrazol-4-yl}pyrimidine-2,4-diamine, ALK tyrosine kinase receptor
著者Wang, C, Zhang, P, Dong, J.
登録日2016-03-07
公開日2016-05-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Design and synthesis of novel 3-sulfonylpyrazol-4-amino pyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3BX5
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BU of 3bx5 by Molmil
P38 alpha map kinase complexed with BMS-640994
分子名称: Mitogen-activated protein kinase 14, N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1R)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide
著者Sack, J.S.
登録日2008-01-11
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor
Bioorg.Med.Chem.Lett., 18, 2008
5GJU
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BU of 5gju by Molmil
DEAD-box RNA helicase
分子名称: ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DeaD
著者Xu, L, Li, F, Wang, L, Shi, Y.
登録日2016-07-02
公開日2017-05-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5GI4
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BU of 5gi4 by Molmil
DEAD-box RNA helicase
分子名称: ATP-dependent RNA helicase DeaD
著者Xu, L, Wang, L, Li, F, Wu, L, Shi, Y.
登録日2016-06-22
公開日2017-05-31
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
5GUT
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BU of 5gut by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - N1248A
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
著者Chen, S.J, Ye, F.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
5GUV
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BU of 5guv by Molmil
The crystal structure of mouse DNMT1 (731-1602) mutant - R1279D
分子名称: DNA (cytosine-5)-methyltransferase 1, ZINC ION
著者Ye, F, Chen, S.J.
登録日2016-08-31
公開日2017-08-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.078 Å)
主引用文献Biochemical Studies and Molecular Dynamic Simulations Reveal the Molecular Basis of Conformational Changes in DNA Methyltransferase-1.
ACS Chem. Biol., 13, 2018
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003

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