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5NP2
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BU of 5np2 by Molmil
Abl1 SH3 pTyr89/134
Descriptor: Tyrosine-protein kinase ABL1
Authors:Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
Deposit date:2017-04-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: 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
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: 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, ...
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: 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, ...
Authors:Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J.
Deposit date:2021-05-20
Release date:2021-09-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite: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
Descriptor: CALCIUM ION, Exocyst complex component 4, GLYCEROL, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Beta-1-syntrophin,Annexin A2, CALCIUM ION, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Sorting nexin-27,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CALCIUM ION, Protein Tax-1, Synaptojanin-2-binding protein,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: CALCIUM ION, Disks large homolog 1,Annexin A2, GLYCEROL, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2021-08-03
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: Abelson tyrosine-protein kinase 2, SULFATE ION
Authors:Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
Deposit date:2017-04-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: IODIDE ION, Myosin heavy chain, striated muscle/General control protein GCN4 chimera
Authors:Brown, J.H, Cohen, C.
Deposit date:2007-11-08
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Myosin heavy chain, striated muscle/General control protein GCN4
Authors:Brown, J.H, Cohen, C.
Deposit date:2007-11-08
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Abelson tyrosine-protein kinase 2
Authors:Mero, B, Radnai, L, Gogl, G, Leveles, I, Buday, L.
Deposit date:2017-04-13
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: CALCIUM ION, MYOSIN ESSENTIAL LIGHT CHAIN, MYOSIN HEAVY CHAIN, ...
Authors:Cohen, C, Xie, X.
Deposit date:1994-01-06
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Antibody FAB heavy chain, Antibody FAB light chain, Programmed cell death protein 1
Authors:Bjorkelid, C, Paluch, C, Robertson, N.J.
Deposit date:2022-10-07
Release date:2023-10-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite: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
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, Unknown Peptide, ...
Authors:Kiefer, J.R, Vinogradova, M.V.
Deposit date:2016-05-20
Release date:2016-08-10
Last modified:2016-09-07
Method:X-RAY DIFFRACTION (3.179 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Gamma-2-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Gamma-1-syntrophin,Annexin A2, ...
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.45 Å)
Cite: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
Descriptor: CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2
Authors:Cousido-Siah, A, Trave, G, Gogl, G.
Deposit date:2022-01-10
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: Myosin heavy chain, cardiac muscle beta isoform
Authors:Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
Deposit date:2006-02-06
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: MERCURY (II) ION, Myosin heavy chain, cardiac muscle beta isoform
Authors:Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I.
Deposit date:2006-02-06
Release date:2006-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: CALCIUM ION, MAGNESIUM ION, Myosin essential light chain, ...
Authors:Yang, Y, Gourinath, S, Cohen, C, Brown, J.H.
Deposit date:2007-02-05
Release date:2007-05-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.27 Å)
Cite: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
Descriptor: Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ...
Authors:Kiefer, J.R, Liang, J, Vinogradova, M.
Deposit date:2017-03-23
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017

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数据于2024-06-19公开中

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