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4S31
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Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A
分子名称: Mitogen-activated protein kinase 1
著者Livnah, O, Karamansha, Y.
登録日2015-01-26
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Multiple mechanisms render Erk proteins MEK-independent
To be Published
1N2D
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BU of 1n2d by Molmil
Ternary complex of MLC1P bound to IQ2 and IQ3 of Myo2p, a class V myosin
分子名称: IQ2 AND IQ3 MOTIFS FROM MYO2P, A CLASS V MYOSIN, Myosin Light Chain
著者Terrak, M, Wu, G, Stafford, W.F, Lu, R.C, Dominguez, R.
登録日2002-10-22
公開日2003-11-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the light chain-binding domain of myosin V.
Proc.Natl.Acad.Sci.USA, 102, 2005
7E12
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BU of 7e12 by Molmil
Crystal structure of PKAc-A11E complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, THR-ARG-SER-GLU-ILE-ARG-ARG-ALA-SER-THR-ILE-GLU, ...
著者Qin, J, Lin, L, Yuchi, Z.
登録日2021-01-28
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.796 Å)
主引用文献Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E11
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BU of 7e11 by Molmil
Crystal structure of PKAc-PLN R9C complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
著者Qin, J, Lin, L, Yuchi, Z.
登録日2021-01-28
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.43 Å)
主引用文献Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
7E0Z
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BU of 7e0z by Molmil
Crystal structure of PKAc-PLN complex
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, PLN, ...
著者Qin, J, Yuchi, Z.
登録日2021-01-28
公開日2022-04-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.162 Å)
主引用文献Structures of PKA-phospholamban complexes reveal a mechanism of familial dilated cardiomyopathy.
Elife, 11, 2022
4RVN
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BU of 4rvn by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, COENZYME A, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-11-26
公開日2015-01-21
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.20 A resolution
To be published
4X20
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BU of 4x20 by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
6PTO
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BU of 6pto by Molmil
Structure of Ctf4 trimer in complex with three CMG helicases
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ...
著者Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
登録日2019-07-16
公開日2019-11-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (7 Å)
主引用文献Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
4WX6
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BU of 4wx6 by Molmil
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone inhibitor
分子名称: N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
6Q81
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BU of 6q81 by Molmil
Structure of P-glycoprotein(ABCB1) in the post-hydrolytic state
分子名称: ADENOSINE-5'-DIPHOSPHATE, P-glycoprotein (ABCB1)
著者Ford, R.C, Thonghin, N, Collins, R.F, Barbieri, A, Shafi, T, Siebert, A.
登録日2018-12-13
公開日2018-12-26
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Novel features in the structure of P-glycoprotein (ABCB1) in the post-hydrolytic state as determined at 7.9 angstrom resolution.
Bmc Struct.Biol., 18, 2018
6SEI
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BU of 6sei by Molmil
Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease
分子名称: CALCIUM ION, DNA (32-MER), Structure-specific endonuclease subunit SLX1, ...
著者Gaur, V, Zajko, W, Nirwal, S, Szlachcic, A, Gapinska, M, Nowotny, M.
登録日2019-07-30
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Recognition and processing of branched DNA substrates by Slx1-Slx4 nuclease.
Nucleic Acids Res., 47, 2019
6QA3
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BU of 6qa3 by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
4X1I
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BU of 4x1i by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-24
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4WX7
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BU of 4wx7 by Molmil
Crystal structure of adenovirus 8 protease with a nitrile inhibitor
分子名称: 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide, PVI, Protease
著者Grosche, P, Sirockin, F, Mac Sweeney, A, Ramage, P, Erbel, P, Melkko, S, Bernardi, A, Hughes, N, Ellis, D, Combrink, K, Jarousse, N, Altmann, E.
登録日2014-11-13
公開日2015-01-14
最終更新日2015-01-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and optimization of potent inhibitors of the adenoviral protease.
Bioorg.Med.Chem.Lett., 25, 2015
6QA1
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BU of 6qa1 by Molmil
ERK2 mini-fragment binding
分子名称: Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6Q1V
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BU of 6q1v by Molmil
Human DNA Ligase 1 (E592R) Bound to an Adenylated, hydroxyl terminated DNA nick
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
著者Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A.
登録日2019-08-06
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
4X1Y
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BU of 4x1y by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Parris, K.D.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
著者Orth, P.
登録日2015-01-13
公開日2015-02-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6QAG
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BU of 6qag by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-19
公開日2019-03-27
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
6QA4
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BU of 6qa4 by Molmil
ERK2 mini-fragment binding
分子名称: 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION
著者O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H.
登録日2018-12-18
公開日2019-06-26
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
4S0Z
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BU of 4s0z by Molmil
Crystal structure of M26V human DJ-1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Protein DJ-1
著者Milkovic, N.M, Wilson, M.A.
登録日2015-01-07
公開日2015-08-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Transient sampling of aggregation-prone conformations causes pathogenic instability of a parkinsonian mutant of DJ-1 at physiological temperature.
Protein Sci., 24, 2015
6QJO
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BU of 6qjo by Molmil
DNA containing both right- and left-handed parallel-stranded G-quadruplexes
分子名称: DNA (28-MER), POTASSIUM ION
著者Winnerdy, F.R, Bakalar, B, Maity, A, Vandana, J.J, Schmitt, E, Mechulam, Y, Phan, A.T.
登録日2019-01-24
公開日2019-07-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献NMR solution and X-ray crystal structures of a DNA molecule containing both right- and left-handed parallel-stranded G-quadruplexes.
Nucleic Acids Res., 47, 2019
4XLG
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BU of 4xlg by Molmil
C. glabrata Slx1 in complex with Slx4CCD.
分子名称: CHLORIDE ION, Structure-specific endonuclease subunit SLX1, Structure-specific endonuclease subunit SLX4, ...
著者Gaur, V, Wyatt, H.D.M, Komorowska, W, Szczepanowski, R.H, de Sanctis, D, Gorecka, K.M, West, S.C, Nowotny, M.
登録日2015-01-13
公開日2015-03-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural and Mechanistic Analysis of the Slx1-Slx4 Endonuclease.
Cell Rep, 10, 2015
4XLS
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BU of 4xls by Molmil
Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter.
分子名称: CarD-like transcriptional regulator, DNA (30-MER), DNA (5'-D(P*GP*CP*AP*CP*AP*AP*TP*TP*TP*AP*AP*CP*AP*CP*TP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3'), ...
著者Bae, B, Darst, S.A.
登録日2015-01-13
公開日2015-09-23
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
4XLR
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BU of 4xlr by Molmil
Crystal structure of T.aquaticus transcription initiation complex with CarD containing bubble promoter and RNA
分子名称: CarD-like transcriptional regulator, DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Bae, B, Darst, S.A.
登録日2015-01-13
公開日2015-09-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015

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