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7JUR
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BU of 7jur by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUX
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BU of 7jux by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUS
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BU of 7jus by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Descriptor: Cobimetinib, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JV0
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BU of 7jv0 by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUW
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BU of 7juw by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JV1
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BU of 7jv1 by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C, Scopton, A.P.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUV
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BU of 7juv by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor APS-9-95-1
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C, Scopton, A.P.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUU
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BU of 7juu by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUZ
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BU of 7juz by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Selumetinib
Descriptor: 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUY
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BU of 7juy by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
6K5L
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BU of 6k5l by Molmil
The crystal structure of isocitrate dehydrogenase kinase/phosphatase wtih two Mn2+ from E. coli
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase kinase/phosphatase, ...
Authors:Zhang, X, Lei, Z, Zheng, J, Jia, Z.
Deposit date:2019-05-29
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation.
Sci Rep, 9, 2019
4UQK
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BU of 4uqk by Molmil
Electron density map of GluA2em in complex with quisqualate and LY451646
Descriptor: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2
Authors:Meyerson, J.R, Kumar, J, Chittori, S, Rao, P, Pierson, J, Bartesaghi, A, Mayer, M.L, Subramaniam, S.
Deposit date:2014-06-24
Release date:2014-08-13
Last modified:2017-08-02
Method:ELECTRON MICROSCOPY (16.4 Å)
Cite:Structural Mechanism of Glutamate Receptor Activation and Desensitization
Nature, 514, 2014
6MN8
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BU of 6mn8 by Molmil
Crystal Structure of Prolyl-tRNA Synthetase from Onchocerca volvulus with bound Halofuginone and nucleotide
Descriptor: 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, ADENOSINE MONOPHOSPHATE, GLYCINE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-01
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Prolyl-tRNA Synthetase from Onchocerca volvulus with bound Halofuginone and nucleotide
To Be Published
6WT6
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BU of 6wt6 by Molmil
Structure of a metazoan TIR-STING receptor from C. gigas
Descriptor: Metazoan TIR-STING fusion
Authors:Morehouse, B.R, Govande, A.A, Millman, A, Keszei, A.F.A, Lowey, B, Ofir, G, Shao, S, Sorek, R, Kranzusch, P.J.
Deposit date:2020-05-01
Release date:2020-09-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:STING cyclic dinucleotide sensing originated in bacteria.
Nature, 586, 2020
6TWG
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BU of 6twg by Molmil
Solution structure of antimicrobial peptide, crabrolin Plus in the presence of Lipopolysaccharide
Descriptor: Crabrolin Plus, mutant of Crabrolin peptide
Authors:Cantini, F, Bouchemal, N, Savarin, P, Sette, M.
Deposit date:2020-01-13
Release date:2020-07-22
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Effect of positive charges in the structural interaction of crabrolin isoforms with lipopolysaccharide.
J.Pept.Sci., 26, 2020
4CC6
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BU of 4cc6 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Descriptor: 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol, DNA LIGASE, SULFATE ION
Authors:Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
Deposit date:2013-10-18
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
6EWW
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BU of 6eww by Molmil
Structure of 14-3-3 zeta in complex with CaMKK2 14-3-3 binding motif
Descriptor: 14-3-3 protein zeta/delta, ARG-LYS-LEU-SEP-LEU-GLN-GLU-ARG
Authors:Lentini Santo, D, Obsilova, V, Obsil, T.
Deposit date:2017-11-06
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.679 Å)
Cite:14-3-3 protein directly interacts with the kinase domain of calcium/calmodulin-dependent protein kinase kinase (CaMKK2).
Biochim. Biophys. Acta, 1862, 2018
4BW9
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BU of 4bw9 by Molmil
PylRS Y306G, Y384F, I405R mutant in complex with AMP-PNP
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schneider, S, Vrabel, M, Gattner, M.J, Fluegel, V, Lopez-Carillo, V, Carell, T.
Deposit date:2013-07-01
Release date:2013-07-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insights Into Incorporation of Norbornene Amino Acids for Click Modification of Proteins
Chem.Bio.Chem., 14, 2013
5TV8
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BU of 5tv8 by Molmil
A. aeolicus BioW with AMP-CPP and pimelate
Descriptor: 6-carboxyhexanoate--CoA ligase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ...
Authors:Estrada, P, Manandhar, M, Dong, S.-H, Deveryshetty, J, Agarwal, V, Cronan, J.E, Nair, S.K.
Deposit date:2016-11-08
Release date:2016-12-07
Last modified:2017-05-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The pimeloyl-CoA synthetase BioW defines a new fold for adenylate-forming enzymes.
Nat. Chem. Biol., 13, 2017
4BKZ
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BU of 4bkz by Molmil
Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor
Descriptor: MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE, N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide
Authors:Canevari, G, Re Depaolini, S, Cucchi, U, Forte, B, Carpinelli, P, Bertrand, J.A.
Deposit date:2013-04-30
Release date:2013-08-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insight Into Maternal Embryonic Leucine Zipper Kinase (Melk) Conformation and Inhibition Towards Structure- Based Drug Design.
Biochemistry, 52, 2013
4C2W
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BU of 4c2w by Molmil
Crystal structure of Aurora B in complex with AMP-PNP
Descriptor: AURORA KINASE B-A, INNER CENTROMERE PROTEIN A, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Sessa, F, Villa, F.
Deposit date:2013-08-20
Release date:2014-02-26
Last modified:2014-03-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Aurora B-Incenp in Complex with Barasertib Reveals a Potential Transinhibitory Mechanism
Acta Crystallogr.,Sect.F, 70, 2014
5URI
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BU of 5uri by Molmil
Rat CYPOR/D632A with 2'-AMP
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Xia, C, Kim, J.J.
Deposit date:2017-02-10
Release date:2018-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and Kinetic Studies of Asp632 Mutants and Fully Reduced NADPH-Cytochrome P450 Oxidoreductase Define the Role of Asp632 Loop Dynamics in the Control of NADPH Binding and Hydride Transfer.
Biochemistry, 57, 2018
4D2I
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BU of 4d2i by Molmil
Crystal structure of the HerA hexameric DNA translocase from Sulfolobus solfataricus bound to AMP-PNP
Descriptor: HERA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Rzechorzek, N.J, Blackwood, J.K, Bray, S.M, Maman, J.D, Pellegrini, L, Robinson, N.P.
Deposit date:2014-05-09
Release date:2014-12-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Structure of the Hexameric Hera ATPase Reveals a Mechanism of Translocation-Coupled DNA-End Processing in Archaea
Nat.Commun., 5, 2014
4CC5
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BU of 4cc5 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Descriptor: 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, DNA LIGASE, SULFATE ION
Authors:Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
Deposit date:2013-10-18
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
5NVD
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BU of 5nvd by Molmil
Crystal structure of hexameric CBS-CP12 protein from bloom-forming cyanobacteria at 2.5 A resolution in P6322 crystal form
Descriptor: CBS-CP12
Authors:Hackenberg, C, Hakanpaa, J, Eigner, C, Antonyuk, S.V, Dittmann, E, Lamzin, V.S.
Deposit date:2017-05-04
Release date:2018-05-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional insights into the unique CBS-CP12 fusion protein family in cyanobacteria.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

224572

數據於2024-09-04公開中

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