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5NP2
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BU of 5np2 by Molmil
Abl1 SH3 pTyr89/134
分子名称: Tyrosine-protein kinase ABL1
著者Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
7OLX
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BU of 7olx by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group
分子名称: CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLS
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BU of 7ols by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group
分子名称: 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7OLV
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BU of 7olv by Molmil
MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group
分子名称: 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
登録日2021-05-20
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
7PC5
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BU of 7pc5 by Molmil
The third PDZ domain of PDZD7 complexed with the PDZ-binding motif of EXOC4
分子名称: CALCIUM ION, Exocyst complex component 4, GLYCEROL, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC4
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BU of 7pc4 by Molmil
The PDZ domain of SNTB1 complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC8
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BU of 7pc8 by Molmil
The PDZ domain of SNTG1 complexed with the phosphomimetic mutant PDZ-binding motif of RSK1
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PCB
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BU of 7pcb by Molmil
The PDZ domain of SNX27 fused with ANXA2
分子名称: CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC7
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BU of 7pc7 by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of PTEN
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC9
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BU of 7pc9 by Molmil
The PDZ domain of SYNJ2BP complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7PC3
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BU of 7pc3 by Molmil
The second PDZ domain of DLG1 complexed with the PDZ-binding motif of HTLV1-TAX1
分子名称: CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2021-08-03
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
5NP5
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BU of 5np5 by Molmil
Abl2 SH3 pTyr116/161
分子名称: Abelson tyrosine-protein kinase 2, SULFATE ION
著者Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
3BAS
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BU of 3bas by Molmil
Crystal structure of the N-terminal region of the scallop myosin rod, monoclinic (C2) form
分子名称: IODIDE ION, Myosin heavy chain, striated muscle/General control protein GCN4 chimera
著者Brown, J.H, Cohen, C.
登録日2007-11-08
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An unstable head-rod junction may promote folding into the compact off-state conformation of regulated myosins.
J.Mol.Biol., 375, 2008
3BAT
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BU of 3bat by Molmil
Crystal structure of the N-terminal region of the scallop myosin rod, monoclinic (P21) form
分子名称: Myosin heavy chain, striated muscle/General control protein GCN4
著者Brown, J.H, Cohen, C.
登録日2007-11-08
公開日2008-01-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An unstable head-rod junction may promote folding into the compact off-state conformation of regulated myosins.
J.Mol.Biol., 375, 2008
5NP3
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BU of 5np3 by Molmil
Abl2 SH3
分子名称: Abelson tyrosine-protein kinase 2
著者Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
登録日2017-04-13
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into the tyrosine phosphorylation-mediated inhibition of SH3 domain-ligand interactions.
J.Biol.Chem., 294, 2019
1SCM
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BU of 1scm by Molmil
STRUCTURE OF THE REGULATORY DOMAIN OF SCALLOP MYOSIN AT 2.8 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, MYOSIN ESSENTIAL LIGHT CHAIN, MYOSIN HEAVY CHAIN, ...
著者Cohen, C, Xie, X.
登録日1994-01-06
公開日1994-04-30
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the regulatory domain of scallop myosin at 2.8 A resolution.
Nature, 368, 1994
8EQ6
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BU of 8eq6 by Molmil
PD1 signaling receptor bound to FAB Complex
分子名称: Antibody FAB heavy chain, Antibody FAB light chain, Programmed cell death protein 1
著者Bjorkelid, C, Paluch, C, Robertson, N.J.
登録日2022-10-07
公開日2023-10-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Antibody agonists trigger immune receptor signaling through local exclusion of receptor-type protein tyrosine phosphatases.
Immunity, 57, 2024
5K4L
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BU of 5k4l by Molmil
Crystal structure of KDM5A in complex with a naphthyridone inhibitor
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
著者Kiefer, J.R, Vinogradova, M.V.
登録日2016-05-20
公開日2016-08-10
最終更新日2016-09-07
実験手法X-RAY DIFFRACTION (3.179 Å)
主引用文献Design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
7QQL
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BU of 7qql by Molmil
The PDZ domain of SNTG2 complexed with the phosphorylated PDZ-binding motif of RSK1
分子名称: CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7QQN
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BU of 7qqn by Molmil
The PDZ domain of SNTG1 complexed with the acetylated PDZ-binding motif of TRPV3
分子名称: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7QQM
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BU of 7qqm by Molmil
The PDZ domain of LRRC7 fused with ANXA2
分子名称: CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
2FXO
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BU of 2fxo by Molmil
Structure of the human beta-myosin S2 fragment
分子名称: Myosin heavy chain, cardiac muscle beta isoform
著者Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
登録日2006-02-06
公開日2006-11-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment
Proc.Natl.Acad.Sci.Usa, 103, 2006
2FXM
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BU of 2fxm by Molmil
Structure of the human beta-myosin S2 fragment
分子名称: MERCURY (II) ION, Myosin heavy chain, cardiac muscle beta isoform
著者Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
登録日2006-02-06
公開日2006-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment
Proc.Natl.Acad.Sci.Usa, 103, 2006
2OS8
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BU of 2os8 by Molmil
Rigor-like structures of muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor
分子名称: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
著者Yang, Y, Gourinath, S, Cohen, C, Brown, J.H.
登録日2007-02-05
公開日2007-05-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Rigor-like Structures from Muscle Myosins Reveal Key Mechanical Elements in the Transduction Pathways of This Allosteric Motor.
Structure, 15, 2007
5V9P
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BU of 5v9p by Molmil
Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
分子名称: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
著者Kiefer, J.R, Liang, J, Vinogradova, M.
登録日2017-03-23
公開日2017-05-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017

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