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4XG7
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BU of 4xg7 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(3-methyl-1-{2-[(1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG6
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BU of 4xg6 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(1-{2-[(3,5-dimethylphenyl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG4
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BU of 4xg4 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: (3R)-1-{[1-(5-fluoro-2-{[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]amino}pyrimidin-4-yl)-4-methyl-1H-pyrrol-3-yl]methyl}pyrrolidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG9
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BU of 4xg9 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(1-{2-[(3-chloro-1,2-dimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
6WE2
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BU of 6we2 by Molmil
Human PARP14 (ARTD8), catalytic fragment in complex with RBN012759
分子名称: 1,2-ETHANEDIOL, 7-(cyclopropylmethoxy)-5-fluoro-2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}quinazolin-4(3H)-one, Isoform 1 of Protein mono-ADP-ribosyltransferase PARP14
著者Swinger, K.K, Schenkel, L.B, Kuntz, K.W.
登録日2020-04-01
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献A potent and selective PARP14 inhibitor decreases protumor macrophage gene expression and elicits inflammatory responses in tumor explants.
Cell Chem Biol, 28, 2021
4XG8
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BU of 4xg8 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 1-[(1-{2-[(3-chloro-1-methyl-1H-indazol-5-yl)amino]pyrimidin-4-yl}-3-methyl-1H-pyrazol-4-yl)methyl]azetidin-3-ol, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
4XG3
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BU of 4xg3 by Molmil
Crystal structure of an inhibitor-bound Syk
分子名称: 4-{[5-fluoro-4-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}-4-methyl-1H-pyrrol-1-yl)pyrimidin-2-yl]amino}-2,6-dimethylphenyl methanesulfonate, Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
6K1J
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BU of 6k1j by Molmil
Human nucleosome core particle with H2A.X variant
分子名称: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
著者Sharma, D, De Falco, L, Davey, C.A.
登録日2019-05-10
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
5LU6
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BU of 5lu6 by Molmil
Heptose isomerase mutant - H64Q
分子名称: 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, GLYCEROL, ...
著者Vivoli, M, Harmer, N.J, Pang, J.
登録日2016-09-08
公開日2017-12-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
6K1I
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BU of 6k1i by Molmil
Human nucleosome core particle with gammaH2A.X variant
分子名称: CHLORIDE ION, DNA (147-MER), Histone H2AX, ...
著者Sharma, D, De Falco, L, Davey, C.A.
登録日2019-05-10
公開日2020-01-15
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
6K1K
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BU of 6k1k by Molmil
Human nucleosome core particle with H2A.X S139E variant
分子名称: CHLORIDE ION, DNA (145-MER), Histone H2AX, ...
著者Sharma, D, De Falco, L, Davey, C.A.
登録日2019-05-10
公開日2020-01-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome.
Nat Commun, 10, 2019
4XG2
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BU of 4xg2 by Molmil
Crystal structure of ligand-free Syk
分子名称: Tyrosine-protein kinase SYK
著者Lee, S.J, Choi, J, Han, B.G, Song, H, Koh, J.S, Lee, B.I.
登録日2014-12-30
公開日2015-12-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structures of spleen tyrosine kinase in complex with novel inhibitors: structural insights for design of anticancer drugs
Febs J., 283, 2016
5A3N
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BU of 5a3n by Molmil
Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a
分子名称: 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U.
登録日2015-06-02
公開日2015-07-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
5B1S
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BU of 5b1s by Molmil
Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 2-(2-fluorophenyl)ethanamine
分子名称: 2-(2-fluorophenyl)ethanamine, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, Spermidine synthase, ...
著者Amano, Y, Tateishi, Y.
登録日2015-12-17
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献In silico, in vitro, X-ray crystallography, and integrated strategies for discovering spermidine synthase inhibitors for Chagas disease
Sci Rep, 7, 2017
4V1S
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BU of 4v1s by Molmil
Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron
分子名称: ALPHA-1,6-MANNANASE, GLYCEROL
著者Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J.
登録日2014-10-02
公開日2015-02-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
4WAJ
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BU of 4waj by Molmil
H. influenzae beta-carbonic anhydase variant P48S/A49P
分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION
著者Rowlett, R.S, Hoffmann, K.M.
登録日2014-08-29
公開日2014-12-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
8PEI
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BU of 8pei by Molmil
Crystal structure of the biphotochromic fluorescent protein SAASoti (C21N/V127T variant) in its green on-state
分子名称: C21N/V127T form of the biphotochromic fluorescent protein SAASoti
著者Boyko, K.M, Varfolomeeva, L.A, Matyuta, I.O, Gavshina, A.V, Solovyev, I.D, Popov, V.O, Savitsky, A.P.
登録日2023-06-14
公開日2024-01-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The role of the correlated motion(s) of the chromophore in photoswitching of green and red forms of the photoconvertible fluorescent protein mSAASoti.
Sci Rep, 14, 2024
7OIN
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BU of 7oin by Molmil
Crystal structure of LSSmScarlet - a genetically encoded red fluorescent protein with a large Stokes shift
分子名称: LSSmScarlet - Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift, SODIUM ION, SULFATE ION
著者Boyko, K.M, Nikolaeva, A.Y, Dorovatovskii, P.V, Subach, O.M, Vlaskina, A.V, Agapova, Y.K, Ivashkina, O.I, Popov, V.O, Subach, F.V.
登録日2021-05-12
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献LSSmScarlet, dCyRFP2s, dCyOFP2s and CRISPRed2s, Genetically Encoded Red Fluorescent Proteins with a Large Stokes Shift.
Int J Mol Sci, 22, 2021
6D43
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BU of 6d43 by Molmil
CHARACTERIZATION OF HUMAN TRIOSEPHOSPHATE ISOMERASE S-NITROSYLATION
分子名称: ISOPROPYL ALCOHOL, Triosephosphate isomerase
著者Romero, J.M, Carrizo, M.E, Curtino, J.M.
登録日2018-04-17
公開日2018-05-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Characterization of human triosephosphate isomerase S-nitrosylation.
Nitric Oxide, 77, 2018
6UDC
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BU of 6udc by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
分子名称: BIOTIN, Streptavidin
著者Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
登録日2019-09-19
公開日2020-09-23
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
1EB2
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BU of 1eb2 by Molmil
Trypsin inhibitor complex (BPO)
分子名称: 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE, CALCIUM ION, SULFATE ION, ...
著者Wilkinson, K.W, Young, S.C, Liebeschuetz, J.W, Brady, R.L.
登録日2001-07-18
公開日2002-02-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pro_Select: Combining Structure-Based Drug Design and Array-Based Chemistry for Rapid Lead Discovery. 2. The Development of a Series of Highly Potent and Selective Factor Xa Inhibitors
J.Med.Chem., 45, 2002
6UC3
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BU of 6uc3 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
分子名称: BIOTIN, Streptavidin
著者Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
登録日2019-09-13
公開日2020-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
6UD1
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BU of 6ud1 by Molmil
Spectroscopic and structural characterization of a genetically encoded direct sensor for protein-ligand interactions
分子名称: CHLORIDE ION, Streptavidin
著者Mills, J.H, Gleason, P.R, Simmons, C.R, Henderson, J.N, Kartchner, B.K.
登録日2019-09-18
公開日2021-02-10
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Origins of Altered Spectroscopic Properties upon Ligand Binding in Proteins Containing a Fluorescent Noncanonical Amino Acid.
Biochemistry, 60, 2021
7RHO
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BU of 7rho by Molmil
Human IgG1 Fc fragment, hinge-free, expressed in E. coli
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fc fragment of human IgG1
著者Gallagher, D.T.
登録日2021-07-18
公開日2022-11-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Effects of glycans and hinge on dynamics in the IgG1 Fc.
J.Biomol.Struct.Dyn., 2023
6ZGL
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BU of 6zgl by Molmil
Structure of DPS determined by movement-free cryoEM with zero dose extrapolation
分子名称: DNA protection during starvation protein
著者Naydenova, K, Russo, C.J.
登録日2020-06-19
公開日2020-10-21
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (1.9 Å)
主引用文献Cryo-EM with sub-1 angstrom specimen movement.
Science, 370, 2020

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件を2024-08-07に公開中

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