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4FZ6
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Crystal structure of spleen tyrosine kinase complexed with [6-((S)-2-Methyl-pyrrolidin-1-yl)-pyridin-2-yl]-(6-phenyl-imidazo[1,2-b]pyridazin-8-yl)-amine
分子名称: N-{6-[(2S)-2-methylpyrrolidin-1-yl]pyridin-2-yl}-6-phenylimidazo[1,2-b]pyridazin-8-amine, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-07-06
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4FYN
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Crystal structure of spleen tyrosine kinase complexed with 3-(8-{4-[Ethyl-(2-hydroxy-ethyl)-amino]-phenylamino}-imidazo[1,2-a]pyrazin-5-yl)-phenol
分子名称: 3-[8-({4-[ethyl(2-hydroxyethyl)amino]phenyl}amino)imidazo[1,2-a]pyrazin-5-yl]phenol, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-07-05
公開日2013-01-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.318 Å)
主引用文献Rational design of highly selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 55, 2012
4I0S
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Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
分子名称: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Villasenor, A.G.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
分子名称: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
著者Kuglstatter, A, Slade, M.
登録日2012-11-19
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
8JU6
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BU of 8ju6 by Molmil
Structure of human TRPV4 with antagonist GSK279
分子名称: 1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP
著者Fan, J, Lei, X.
登録日2023-06-24
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
8JVI
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Structure of human TRPV4 with antagonist A2
分子名称: Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
著者Fan, J, Lei, X.
登録日2023-06-28
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
8JVJ
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Structure of human TRPV4 with antagonist A2 and RhoA
分子名称: Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4,3C-GFP, [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
著者Fan, J, Lei, X.
登録日2023-06-28
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
8JU5
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Structure of human TRPV4 with antagonist A1
分子名称: 4-[(3~{S},4~{S})-4-(aminomethyl)-1-(5-chloranylpyridin-2-yl)sulfonyl-4-oxidanyl-pyrrolidin-3-yl]oxy-2-fluoranyl-benzenecarbonitrile, Transient receptor potential cation channel subfamily V member 4,3C-GFP
著者Fan, J, Lei, X.
登録日2023-06-24
公開日2024-05-08
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Structural Pharmacology of TRPV4 Antagonists.
Adv Sci, 2024
6DBP
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BU of 6dbp by Molmil
RNA-recognition motif 1 of human MSI2
分子名称: RNA-binding protein Musashi homolog 2
著者Goldgur, Y, Kharas, M.G, Minuesa, G.
登録日2018-05-03
公開日2019-05-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Small-molecule targeting of MUSASHI RNA-binding activity in acute myeloid leukemia.
Nat Commun, 10, 2019
8IK2
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BU of 8ik2 by Molmil
RhlA exhibits dual thioesterase and acyltransferase activities during rhamnolipid biosynthesis
分子名称: (3~{S})-3-oxidanyldecanoic acid, 3-(3-hydroxydecanoyloxy)decanoate synthase
著者Tang, T, Fu, L.H, Xie, W.H, Luo, Y.Z, Zhang, Y.T, Si, T.
登録日2023-02-28
公開日2023-11-01
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献RhlA Exhibits Dual Thioesterase and Acyltransferase Activities during Rhamnolipid Biosynthesis
Acs Catalysis, 13, 2023
5V3S
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BU of 5v3s by Molmil
Crystal structure of IP-1A from Alcaligenes faecalis at 1.8A resolution
分子名称: Two-component insecticidal protein 16 kDa unit
著者Yalpani, N, Altier, D, Guan, R, Montelione, G.
登録日2017-03-08
公開日2017-06-14
最終更新日2017-06-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献An Alcaligenes strain emulates Bacillus thuringiensis producing a binary protein that kills corn rootworm through a mechanism similar to Cry34Ab1/Cry35Ab1.
Sci Rep, 7, 2017
5YD0
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BU of 5yd0 by Molmil
Crystal structure of Schlafen 13 (SLFN13) N'-domain
分子名称: Schlafen 8, ZINC ION
著者Yang, J.-Y, Gao, S.
登録日2017-09-09
公開日2018-03-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.182 Å)
主引用文献Structure of Schlafen13 reveals a new class of tRNA/rRNA- targeting RNase engaged in translational control
Nat Commun, 9, 2018
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
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
分子名称: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
登録日2013-03-06
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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
4JNC
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Soluble Epoxide Hydrolase complexed with a carboxamide inhibitor
分子名称: 1-[4-methyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[2-(trifluoromethyl)benzyl]piperidine-4-carboxamide, Bifunctional epoxide hydrolase 2
著者Shewchuk, L.M.
登録日2013-03-15
公開日2013-06-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.
Bioorg.Med.Chem.Lett., 23, 2013
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
登録日2013-03-06
公開日2013-10-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
6IYX
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BU of 6iyx by Molmil
Crystal Structure Analysis of a Eukaryotic Membrane Protein
分子名称: BROMIDE ION, CALCIUM ION, Trimeric intracellular cation channel type A
著者Zeng, Y, Wang, X.H, Gao, F, Su, M, Chen, Y.H.
登録日2018-12-17
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ5
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Crystal Structure Analysis of a Eukaryotic Membrane Protein
分子名称: Trimeric intracellular cation channel type B-B
著者Li, D, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.701 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ6
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Crystal Structure Analysis of TRIC counter-ion channels in calcium release
分子名称: CALCIUM ION, Trimeric intracellular cation channel type B-B
著者Liu, X.L, Wang, X.H, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.293 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZF
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Structural basis for activity of TRIC counter-ion channels in calcium release
分子名称: (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate, CALCIUM ION, CHLORIDE ION, ...
著者Wang, X.H, Zeng, Y, Su, M, Hendrickson, W.A, Chen, Y.H.
登録日2018-12-19
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IZ3
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Structural basis for activity of TRIC counter-ion channels in calcium release
分子名称: Trimeric intracellular cation channel type B-B
著者Zeng, Y, Wang, X.H, Su, M, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.791 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IYZ
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Structural basis for activity of TRIC counter-ion channels in calcium release
分子名称: CHLORIDE ION, Trimeric intracellular cation channel type A
著者Wang, X.H, Zeng, Y, Qin, L, Gao, F, Su, M, Chen, Y.H.
登録日2018-12-18
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for activity of TRIC counter-ion channels in calcium release.
Proc.Natl.Acad.Sci.USA, 116, 2019

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