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5E54
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BU of 5e54 by Molmil
Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser
分子名称: MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain
著者Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H.
登録日2015-10-07
公開日2016-11-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography.
Nature, 541, 2017
4ZIM
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BU of 4zim by Molmil
CRYSTAL STRUCTURE OF JANUS KINASE 2 IN COMPLEX WITH A 9H-CARBAZOLE-1-CARBOXAMIDE INHIBITOR
分子名称: 3-(3,4-dichlorophenyl)-6-(morpholin-4-ylcarbonyl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase JAK2
著者Sack, J.S.
登録日2015-04-28
公開日2015-06-03
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4XV2
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BU of 4xv2 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
分子名称: Dabrafenib, Serine/threonine-protein kinase B-raf
著者zhang, Y, zhang, c.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV3
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BU of 4xv3 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
分子名称: N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Zhang, C.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
分子名称: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf
著者zhang, Y, zhang, c, wang, w.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV1
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BU of 4xv1 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7904
分子名称: N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Zhang, C.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
7CKP
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BU of 7ckp by Molmil
Mycobacterium tuberculosis Enolase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Enolase, MAGNESIUM ION
著者Biswal, B.K, Ahmad, M, Jha, B.
登録日2020-07-18
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLL
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BU of 7cll by Molmil
Mycobacterium tubeculosis enolase in complex with 2-Phosphoglycerate
分子名称: 2-PHOSPHOGLYCERIC ACID, ACETATE ION, CHLORIDE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-07-21
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
7CLK
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BU of 7clk by Molmil
Mycobacterium tuberculosis enolase in complex with alternate 2-phosphoglycerate
分子名称: 1,2-ETHANEDIOL, 2-PHOSPHOGLYCERIC ACID, ACETATE ION, ...
著者Ahmad, M, Jha, B, Tiwari, S, Pal, R.K, Biswal, B.K.
登録日2020-07-21
公開日2022-01-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural snapshots of Mycobacterium tuberculosis enolase reveal dual mode of 2PG binding and its implication in enzyme catalysis.
Iucrj, 10, 2023
4DUS
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BU of 4dus by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Sickmier, E.A.
登録日2012-02-22
公開日2012-10-10
最終更新日2014-07-02
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
5GSA
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BU of 5gsa by Molmil
EED in complex with an allosteric PRC2 inhibitor
分子名称: Histone-lysine N-methyltransferase EZH2, N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, Polycomb protein EED
著者Zhao, K, Zhao, M, Luo, X, Zhang, H.
登録日2016-08-15
公開日2017-02-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献An allosteric PRC2 inhibitor targeting the H3K27me3 binding pocket of
Nat. Chem. Biol., 13, 2017
7RCO
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BU of 7rco by Molmil
Crystal structure of human TGF-beta-2 bound to 4A11.V2 Fab
分子名称: 4A11.V2 Fab Heavy Chain, 4A11.V2 Fab Light Chain, Transforming growth factor beta-2
著者Yin, J, Lupardus, P.J, Sudhamsu, J.
登録日2021-07-07
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Dramatic activation of an antibody by a single amino acid change in framework.
Sci Rep, 11, 2021
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
著者McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
登録日2023-02-14
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To Be Published
8G8V
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BU of 8g8v by Molmil
GTP Cyclohydrolase-IB with sodium
分子名称: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, SODIUM ION, ...
著者McWhorter, K.L, Jhunjhunwala, R, Davis, K.M.
登録日2023-02-20
公開日2024-02-21
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Combatting melioidosis with chemical synthetic lethality
To Be Published
1GOL
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BU of 1gol by Molmil
COORDINATES OF RAT MAP KINASE ERK2 WITH AN ARGININE MUTATION AT POSITION 52
分子名称: ADENOSINE-5'-TRIPHOSPHATE, EXTRACELLULAR REGULATED KINASE 2, MAGNESIUM ION
著者Harkins, P.C, Zhang, F, Goldsmith, E.J.
登録日1996-01-23
公開日1997-03-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mutation of position 52 in ERK2 creates a nonproductive binding mode for adenosine 5'-triphosphate.
Biochemistry, 35, 1996
5BV7
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BU of 5bv7 by Molmil
Crystal structure of human LCAT (L4F, N5D) in complex with Fab of an agonistic antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 27C3 heavy chain, 27C3 light chain, ...
著者Piper, D.E, Romanow, W.G, Thibault, S.T, Walker, N.P.C.
登録日2015-06-04
公開日2015-12-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Agonistic Human Antibodies Binding to Lecithin-Cholesterol Acyltransferase Modulate High Density Lipoprotein Metabolism.
J.Biol.Chem., 291, 2016
5ZUH
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BU of 5zuh by Molmil
Solution structure of RRM domain of La protein from Trypanosoma brucei
分子名称: RNA binding protein La-like protein
著者Shan, F.Z.
登録日2018-05-07
公開日2019-05-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A telomerase subunit homolog La protein from Trypanosoma brucei plays an essential role in ribosomal biogenesis.
Febs J., 286, 2019
8COH
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BU of 8coh by Molmil
Structure of the complement C5 specific nanobody TPP-3444
分子名称: CITRIC ACID, MANGANESE (II) ION, Nanobody TPP-3444
著者Pedersen, D.V, Andersen, G.R.
登録日2023-02-28
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
8COE
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BU of 8coe by Molmil
complement C5 in complex with the LCP0195 nanobody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5 alpha chain, Complement C5 beta chain, ...
著者Andersen, G.R, Pedersen, D.V.
登録日2023-02-28
公開日2024-01-03
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献Characterization of the bispecific VHH antibody gefurulimab (ALXN1720) targeting complement component 5, and designed for low volume subcutaneous administration.
Mol.Immunol., 165, 2023
6BMK
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BU of 6bmk by Molmil
Crystal structure of MHC-I like protein
分子名称: (2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate, 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Khandokar, Y.B, Le Nours, J, Rossjohn, J.
登録日2017-11-15
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4RC6
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BU of 4rc6 by Molmil
Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant
分子名称: Aldehyde decarbonylase, FE (II) ION
著者Jia, C.J, Li, M, Li, J.J, Zhang, J.J, Zhang, H.M, Cao, P, Pan, X.W, Lu, X.F, Chang, W.R.
登録日2014-09-14
公開日2014-12-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural insights into the catalytic mechanism of aldehyde-deformylating oxygenases.
Protein Cell, 6, 2015
6BMH
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BU of 6bmh by Molmil
Crystal structure of MHC-I like protein
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, Antigen-presenting glycoprotein CD1d2, ...
著者Khandokar, Y.B, Le Nours, J, Rossjohn, J.
登録日2017-11-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.298 Å)
主引用文献Differing roles of CD1d2 and CD1d1 proteins in type I natural killer T cell development and function.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1CN4
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BU of 1cn4 by Molmil
ERYTHROPOIETIN COMPLEXED WITH EXTRACELLULAR DOMAINS OF ERYTHROPOIETIN RECEPTOR
分子名称: PROTEIN (ERYTHROPOIETIN RECEPTOR), PROTEIN (ERYTHROPOIETIN)
著者Stroud, R.M, Reid, S.W.
登録日1999-05-25
公開日1999-08-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Efficiency of signalling through cytokine receptors depends critically on receptor orientation.
Nature, 395, 1998
6N33
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Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
分子名称: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y.
登録日2018-11-14
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
6NZR
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CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH Compound_12 AKA 4-[(2-methanesulfonylphenyl)amino]-N-(H3)methyl-6-[(pyridin-2- yl)amino]pyridazine-3-carboxamide
分子名称: N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION
著者Khan, J.A.
登録日2019-02-14
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Highly Selective Inhibition of Tyrosine Kinase 2 (TYK2) for the Treatment of Autoimmune Diseases: Discovery of the Allosteric Inhibitor BMS-986165.
J.Med.Chem., 62, 2019

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