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3ZUV
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Crystal structure of a designed selected Ankyrin Repeat protein in complex with the phosphorylated MAP kinase ERK2
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION
著者Kummer, L, Mittl, P.R, Pluckthun, A.
登録日2011-07-20
公開日2012-06-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural and Functional Analysis of Phosphorylation-Specific Binders of the Kinase Erk from Designed Ankyrin Repeat Protein Libraries.
Proc.Natl.Acad.Sci.USA, 109, 2012
2E00
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BU of 2e00 by Molmil
Crystal structure of N392L mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-10-01
公開日2007-11-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
6AF7
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DJ-1 C106S unbound
分子名称: CHLORIDE ION, PENTAETHYLENE GLYCOL, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFI
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DJ-1 with compound 11
分子名称: 1-ethylindole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
1LQB
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Crystal structure of a hydroxylated HIF-1 alpha peptide bound to the pVHL/elongin-C/elongin-B complex
分子名称: Elongin B, Elongin C, Hypoxia-inducible factor 1 ALPHA, ...
著者Hon, W.C, Wilson, M.I, Harlos, K, Claridge, T.D, Schofield, C.J, Pugh, C.W, Maxwell, P.H, Ratcliffe, P.J, Stuart, D.I, Jones, E.Y.
登録日2002-05-09
公開日2002-07-03
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the recognition of hydroxyproline in HIF-1 alpha by pVHL.
Nature, 417, 2002
1YWR
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Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor
分子名称: 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, Mitogen-activated protein kinase 14
著者Golebiowski, A, Townes, J.A, Laufersweiler, M.J, Brugel, T.A, Clark, M.P, Clark, C.M, Djung, J.F, Laughlin, S.K, Sabat, M.P, Bookland, R.G, Vanrens, J.C, De, B, Hsieh, L.C, Janusz, M.J, Walter, R.L, Webster, M.E, Mekel, M.J.
登録日2005-02-18
公開日2005-05-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The development of monocyclic pyrazolone based cytokine synthesis inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
3KZ4
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BU of 3kz4 by Molmil
Crystal Structure of the Rotavirus Double Layered Particle
分子名称: Inner capsid protein VP2, Intermediate capsid protein VP6, ZINC ION
著者Mcclain, B, Settembre, E.C, Bellamy, A.R, Harrison, S.C.
登録日2009-12-07
公開日2010-03-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献X-ray crystal structure of the rotavirus inner capsid particle at 3.8 A resolution.
J.Mol.Biol., 397, 2010
4F7S
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BU of 4f7s by Molmil
Crystal structure of human CDK8/CYCC in the DMG-in conformation
分子名称: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ...
著者Schneider, E.V, Boettcher, J, Huber, R, Maskos, K.
登録日2012-05-16
公開日2013-05-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-kinetic relationship study of CDK8/CycC specific compounds.
Proc.Natl.Acad.Sci.USA, 110, 2013
6AF5
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DJ-1 after backsoaking
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFG
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DJ-1 with compound 9
分子名称: 1-methylindole-2,3-dione, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFH
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DJ-1 with compound 10
分子名称: 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
8T1C
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BU of 8t1c by Molmil
Cryo-EM structure of human TRPV4 ankyrin repeat domain in complex with GTPase RhoA
分子名称: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, Transient receptor potential cation channel subfamily V member 4-Enhanced green fluorescent protein chimera
著者Nadezhdin, K.D, Talyzina, I.A, Neuberger, A, Sobolevsky, A.I.
登録日2023-06-02
公開日2023-07-05
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structure of human TRPV4 in complex with GTPase RhoA.
Nat Commun, 14, 2023
6AFA
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DJ-1 with isatin (low concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFE
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DJ-1 with compound 7
分子名称: 7-(trifluoromethyl)-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AF9
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DJ-1 with isatin bound (high concentration)
分子名称: CHLORIDE ION, ISATIN, Protein/nucleic acid deglycase DJ-1
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFF
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DJ-1 with compound 8
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, methyl 2,3-bis(oxidanylidene)-1~{H}-indole-7-carboxylate
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFJ
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DJ-1 with compound 13
分子名称: CHLORIDE ION, Protein/nucleic acid deglycase DJ-1, butyl 2-[2,3-bis(oxidanylidene)indol-1-yl]ethanoate
著者Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
登録日2018-08-08
公開日2018-08-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6ZRB
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BU of 6zrb by Molmil
Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
分子名称: ACETATE ION, Histone-lysine N-methyltransferase SMYD3, N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide, ...
著者Talibov, V.O, Eriksson, D.
登録日2020-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the 4-aminopiperidine-based compound EM127 for the site-specific covalent inhibition of SMYD3
Eur.J.Med.Chem., 2022
8T2R
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BU of 8t2r by Molmil
Structure of a group II intron ribonucleoprotein in the pre-ligation (pre-2F) state
分子名称: 5'exon, AMMONIUM ION, CALCIUM ION, ...
著者Xu, L, Liu, T, Chung, K, Pyle, A.M.
登録日2023-06-06
公開日2023-11-22
最終更新日2024-01-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural insights into intron catalysis and dynamics during splicing.
Nature, 624, 2023
7NJ0
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CryoEM structure of the human Separase-Cdk1-cyclin B1-Cks1 complex
分子名称: Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 1, G2/mitotic-specific cyclin-B1,G2/mitotic-specific cyclin-B1, ...
著者Yu, J, Raia, P, Ghent, C.M, Raisch, T, Sadian, Y, Barford, D, Raunser, S, Morgan, D.O, Boland, A.
登録日2021-02-14
公開日2021-08-04
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of human separase regulation by securin and CDK1-cyclin B1.
Nature, 596, 2021
3HEC
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BU of 3hec by Molmil
P38 in complex with Imatinib
分子名称: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside
著者Namboodiri, H.V, Karpusas, M.
登録日2009-05-08
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
3HEG
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P38 in complex with Sorafenib
分子名称: 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, Mitogen-activated protein kinase 14
著者Namboodiri, H.V, Karpusas, M.
登録日2009-05-08
公開日2009-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Analysis of imatinib and sorafenib binding to p38alpha compared with c-Abl and b-Raf provides structural insights for understanding the selectivity of inhibitors targeting the DFG-out form of protein kinases.
Biochemistry, 49, 2010
7W5O
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Crystal structure of ERK2 with an allosteric inhibitor
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Yoshida, M, Kinoshita, T.
登録日2021-11-30
公開日2022-02-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of a novel target site for ATP-independent ERK2 inhibitors.
Biochem.Biophys.Res.Commun., 593, 2022
7UGB
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Crystal structure of rat ERK2 complexed with docking peptide from ISG20
分子名称: Interferon-stimulated gene 20 kDa protein, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Torres Robles, J, Stiegler, A.L, Boggon, T.J, Turk, B.E.
登録日2022-03-24
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献To be determined
To Be Published
1ZS4
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Structure of bacteriophage lambda cII protein in complex with DNA
分子名称: DNA - 27mer, Regulatory protein CII
著者Jain, D, Kim, Y, Maxwell, K.L, Beasley, S, Gussin, G.N, Edwards, A.M, Darst, S.A.
登録日2005-05-23
公開日2005-08-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Bacteriophage lambdacII and Its DNA Complex.
Mol.Cell, 19, 2005

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