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5SY9
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BU of 5sy9 by Molmil
Atomic resolution structure of E15Q mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
1EGW
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BU of 1egw by Molmil
CRYSTAL STRUCTURE OF MEF2A CORE BOUND TO DNA
Descriptor: DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), MADS BOX TRANSCRIPTION ENHANCER FACTOR 2, ...
Authors:Santelli, E, Richmond, T.J.
Deposit date:2000-02-17
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of MEF2A core bound to DNA at 1.5 A resolution.
J.Mol.Biol., 297, 2000
4QTA
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BU of 4qta by Molmil
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ...
Authors:Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
8GQ6
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BU of 8gq6 by Molmil
Cryo-EM Structure of the KBTBD2-CUL3-Rbx1 dimeric complex
Descriptor: Cullin-3, E3 ubiquitin-protein ligase RBX1, Kelch repeat and BTB domain-containing protein 2, ...
Authors:Sun, L, Chen, Z, Hu, Y, Mao, Q.
Deposit date:2022-08-29
Release date:2023-09-06
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.96 Å)
Cite:Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
Descriptor: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.446 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5SY6
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BU of 5sy6 by Molmil
Atomic resolution structure of human DJ-1, DTT bound
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
4QYY
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BU of 4qyy by Molmil
Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State
Descriptor: (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A.
Deposit date:2014-07-26
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
4S34
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BU of 4s34 by Molmil
ERK2 (I84A) in complex with AMP-PNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
4S32
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BU of 4s32 by Molmil
Crystal structure of ERK2 AMP-PNP complex
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of ERK2 AMP-PNP complex
To be Published
4S2Z
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BU of 4s2z by Molmil
ERK2 Intrinsically active mutant R65S
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-25
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
4S30
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BU of 4s30 by Molmil
ERK2 intrinsically active mutant (I84A)
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
8B8T
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BU of 8b8t by Molmil
Open conformation of the complex of DNA ligase I on PCNA and DNA in the presence of ATP
Descriptor: DNA ligase 1, Proliferating cell nuclear antigen
Authors:Blair, K, Tehseen, M, Raducanu, V.S, Shahid, T, Lancey, C, Cruehet, R, Hamdan, S, De Biasio, A.
Deposit date:2022-10-05
Release date:2023-01-11
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Mechanism of human Lig1 regulation by PCNA in Okazaki fragment sealing.
Nat Commun, 13, 2022
4QP4
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BU of 4qp4 by Molmil
Crystal Structure of ERK2 in complex with N-cyclohexyl-9H-purin-6-amine
Descriptor: Mitogen-activated protein kinase 1, N-cyclohexyl-9H-purin-6-amine
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
4QPA
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BU of 4qpa by Molmil
Crystal Structure of ERK2 in complex with 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2015-12-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
2IAJ
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BU of 2iaj by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
Authors:Das, K, Arnold, E.
Deposit date:2006-09-08
Release date:2006-12-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
4QP7
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BU of 4qp7 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
Descriptor: 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
Authors:Yin, J, Wang, W.
Deposit date:2014-06-22
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.249 Å)
Cite:Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6AFB
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BU of 6afb by Molmil
DJ-1 C106S incubated with isatin
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, ISATIN, ...
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6AFL
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BU of 6afl by Molmil
DJ-1 with compound 15
Descriptor: 5-fluoranyl-1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
6A43
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BU of 6a43 by Molmil
R1EN(5-225)-ubiquitin fusion
Descriptor: ACETIC ACID, RNA-directed DNA polymerase homolog (R1),Polyubiquitin-C
Authors:Maita, N.
Deposit date:2018-06-19
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure Determination of Ubiquitin by Fusion to a Protein That Forms a Highly Porous Crystal Lattice
J. Am. Chem. Soc., 140, 2018
6A44
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BU of 6a44 by Molmil
R1EN(5-227)-ubiquitin fusion
Descriptor: ACETIC ACID, RNA-directed DNA polymerase homolog (R1),Polyubiquitin-C
Authors:Maita, N.
Deposit date:2018-06-19
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure Determination of Ubiquitin by Fusion to a Protein That Forms a Highly Porous Crystal Lattice
J. Am. Chem. Soc., 140, 2018
6AFD
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BU of 6afd by Molmil
DJ-1 with compound 6
Descriptor: 7-methyl-1~{H}-indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1
Authors:Caaveiro, J.M.M, Tashiro, S, Tsumoto, K.
Deposit date:2018-08-08
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1.
ACS Chem. Biol., 13, 2018
4S31
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BU of 4s31 by Molmil
Crystal structure of mitogen-activated protein kinase 1 wtERK2 at 1.45A
Descriptor: Mitogen-activated protein kinase 1
Authors:Livnah, O, Karamansha, Y.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published
1EBM
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BU of 1ebm by Molmil
CRYSTAL STRUCTURE OF THE HUMAN 8-OXOGUANINE GLYCOSYLASE (HOGG1) BOUND TO A SUBSTRATE OLIGONUCLEOTIDE
Descriptor: 8-OXOGUANINE DNA GLYCOSYLASE, CALCIUM ION, DNA (5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), ...
Authors:Bruner, S.D, Norman, D.P, Verdine, G.L.
Deposit date:2000-01-24
Release date:2000-03-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for recognition and repair of the endogenous mutagen 8-oxoguanine in DNA.
Nature, 403, 2000
4S33
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BU of 4s33 by Molmil
ERK2 R65S mutant complexed with AMP-PNP
Descriptor: MAGNESIUM ION, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Livnah, O, Karamansha, Y, Tzarum, N.
Deposit date:2015-01-26
Release date:2016-01-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Multiple mechanisms render Erk proteins MEK-independent
To be Published

224572

数据于2024-09-04公开中

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