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8TXY
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BU of 8txy by Molmil
X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera
Descriptor: DI(HYDROXYETHYL)ETHER, N-[(5P,8R)-5-(2-cyano-5-{[(3R)-1-methylpyrrolidin-3-yl]methoxy}pyridin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide, SULFATE ION, ...
Authors:Raymond, D.D, Lemke, C.T, Shaffer, P.L, Collins, B, Steele, R, Seierstad, M.
Deposit date:2023-08-24
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of highly selective SIK1/2 inhibitors that modulate innate immune activation and suppress intestinal inflammation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8XFL
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BU of 8xfl by Molmil
The Crystal Structure of MARK4 from Biortus.
Descriptor: MAP/microtubule affinity-regulating kinase 4
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-12-14
Release date:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Crystal Structure of MARK4 from Biortus.
To Be Published
8EBV
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BU of 8ebv by Molmil
Initial DNA-lesion (AP) binding by XPC and TFIIH complex 1
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (7.1 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBW
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BU of 8ebw by Molmil
Initial DNA-lesion (AP) binding by XPC and TFIIH complex2
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
8EBS
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BU of 8ebs by Molmil
Initial DNA-lesion (Cy5) binding by XPC and TFIIH
Descriptor: CALCIUM ION, Centrin-2, DNA, ...
Authors:Kim, J, Yang, W.
Deposit date:2022-08-31
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Lesion recognition by XPC, TFIIH and XPA in DNA excision repair.
Nature, 617, 2023
7TGP
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BU of 7tgp by Molmil
E176T/Y188G variant of the internal UBA Domain of HHR23A
Descriptor: UV excision repair protein RAD23 homolog A
Authors:Rothfuss, M, Bowler, B.E, McClelland, L.J, Sprang, S.R.
Deposit date:2022-01-08
Release date:2023-04-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
7F7X
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BU of 7f7x by Molmil
Protein complex between phosphorylated ubiquitin and Ubqln2 UBA
Descriptor: Polyubiquitin-B, Ubiquilin-2
Authors:Qin, L.Y, Dong, X, Tang, C.
Deposit date:2021-06-30
Release date:2022-05-18
Method:SOLUTION NMR
Cite:Kinetic Constraints in the Specific Interaction between Phosphorylated Ubiquitin and Proteasomal Shuttle Factors.
Biomolecules, 11, 2021
7OJX
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BU of 7ojx by Molmil
E2 UBE2K covalently linked to donor Ub, acceptor di-Ub, and RING E3 primed for K48-linked Ub chain synthesis
Descriptor: 1,1'-ethane-1,2-diylbis(1H-pyrrole-2,5-dione), E3 ubiquitin-protein ligase RNF38, Polyubiquitin-B, ...
Authors:Majorek, K.A, Nakasone, M.A, Huang, D.T.
Deposit date:2021-05-17
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of UBE2K-Ub/E3/polyUb reveals mechanisms of K48-linked Ub chain extension.
Nat.Chem.Biol., 18, 2022
6XQJ
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BU of 6xqj by Molmil
Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Descriptor: Protein Vpr,UV excision repair protein RAD23 homolog A, ZINC ION
Authors:Byeon, I.-J.L, Calero, G, Wu, Y, Byeon, C.H, Gronenborn, A.M.
Deposit date:2020-07-09
Release date:2021-11-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
7MYF
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BU of 7myf by Molmil
Ubiquitin variant UbV.k.1 in complex with Ube2k
Descriptor: Ubiquitin, Ubiquitin variant UbV.k.1, Ubiquitin-conjugating enzyme E2 K
Authors:Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
Deposit date:2021-05-21
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
7MYH
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BU of 7myh by Molmil
Ubiquitin variant UbV.k.2 in complex with Ube2k
Descriptor: GLYCEROL, Ubiquitin variant UbV.k.2, Ubiquitin-conjugating enzyme E2 K
Authors:Middleton, A.J, Day, C.L, Teyra, J, Sidhu, S.S.
Deposit date:2021-05-21
Release date:2021-08-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Identification of Ubiquitin Variants That Inhibit the E2 Ubiquitin Conjugating Enzyme, Ube2k.
Acs Chem.Biol., 16, 2021
6XQI
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BU of 6xqi by Molmil
Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A
Descriptor: ASN-PRO-LEU-GLU-PHE-LEU, Protein Vpr, UV excision repair protein RAD23 homolog A, ...
Authors:Calero, G.C, Wu, Y, Weiss, S.C.
Deposit date:2020-07-09
Release date:2021-08-11
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structure of HIV-1 Vpr in complex with the human nucleotide excision repair protein hHR23A.
Nat Commun, 12, 2021
7P1L
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BU of 7p1l by Molmil
The MARK3 Kinase Domain Bound To AA-CS-1-008
Descriptor: 1,2-ETHANEDIOL, 5-Bromo-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine, MAP/microtubule affinity-regulating kinase 3
Authors:Dederer, V, Preuss, F, Chatterjee, D, Vlassova, A, Mathea, S, Axtman, A, Knapp, S.
Deposit date:2021-07-01
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.
J.Med.Chem., 65, 2022
6W2G
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BU of 6w2g by Molmil
Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A in Monoclinic Unit Cell
Descriptor: 1,2-ETHANEDIOL, UV excision repair protein RAD23 homolog A
Authors:Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
Deposit date:2020-03-05
Release date:2021-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
6W2H
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BU of 6w2h by Molmil
Crystal Structure of the Internal UBA Domain of HHR23A
Descriptor: SULFATE ION, UV excision repair protein RAD23 homolog A
Authors:Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
Deposit date:2020-03-05
Release date:2021-03-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Residual Structure in the Denatured State of the Fast-Folding UBA(1) Domain from the Human DNA Excision Repair Protein HHR23A.
Biochemistry, 61, 2022
6W2I
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BU of 6w2i by Molmil
Crystal Structure of Y188G Variant of the Internal UBA Domain of HHR23A
Descriptor: GLYCEROL, UV excision repair protein RAD23 homolog A
Authors:Bowler, B.E, Zeng, B, Becht, D.C, Rothfuss, M, Sprang, S.R, Mou, T.-C.
Deposit date:2020-03-05
Release date:2021-03-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.
J.Am.Chem.Soc., 145, 2023
6UIN
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BU of 6uin by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*NP*NP*NP*NP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*CP*CP*CP*CP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
Authors:Paul, D, Min, J.-H.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.348 Å)
Cite:Tethering-facilitated DNA 'opening' and complementary roles of beta-hairpin motifs in the Rad4/XPC DNA damage sensor protein
Nucleic Acids Res., 48, 2021
6UBF
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BU of 6ubf by Molmil
Role of Beta-hairpin motifs in the DNA duplex opening by the Rad4/XPC nucleotide excision repair complex
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*GP*GP*GP*AP*TP*GP*TP*CP*GP*AP*GP*TP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*(G47)P*AP*CP*AP*TP*CP*CP*C*GP*CP*TP*AP*CP*AP*A)-3'), DNA repair protein RAD4, ...
Authors:Paul, D, Min, J.H.
Deposit date:2019-09-11
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.597 Å)
Cite:Kinetic gating mechanism of DNA damage recognition by Rad4/XPC.
Nat Commun, 6, 2015
6JB7
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BU of 6jb7 by Molmil
Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H.
Deposit date:2019-01-25
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.1 A resolution
To Be Published
6JB6
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BU of 6jb6 by Molmil
Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.7 A resolution
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Mun, S.A, Park, J, Park, T, Jin, M.W, Yang, J, Eom, S.H.
Deposit date:2019-01-25
Release date:2019-03-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of Ub-conjugated Ube2K C92K&K97A mutant (isopeptide linkage), 2.7 A resolution
To Be Published
6CFI
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BU of 6cfi by Molmil
Crystal structure of Rad4-Rad23 bound to a 6-4 photoproduct UV lesion
Descriptor: DNA (5'-D(*AP*TP*TP*GP*TP*AP*GP*CP*(T64)P*TP*GP*GP*AP*TP*GP*TP*TP*GP*AP*GP*TP*CP*A)-3'), DNA repair protein RAD4, DNA('-D(*TP*TP*GP*AP*CP*TP*CP*AP*AP*CP*AP*TP*CP*CP*AP*AP*AP*GP*CP*TP*AP*CP*AP*A)-'), ...
Authors:Min, J, Jeffrey, P.D.
Deposit date:2018-02-15
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.36241913 Å)
Cite:Structure and mechanism of pyrimidine-pyrimidone (6-4) photoproduct recognition by the Rad4/XPC nucleotide excision repair complex.
Nucleic Acids Res., 47, 2019
6IF1
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BU of 6if1 by Molmil
Crystal structure of Ube2K and K48-linked di-ubiquitin complex
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Lee, J.-G, Youn, H.-S, Lee, Y, An, J.Y, Park, K.R, Kang, J.Y, Lim, J.J, Eom, S.H.
Deposit date:2018-09-18
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.466 Å)
Cite:Crystal structure of the Ube2K/E2-25K and K48-linked di-ubiquitin complex provides structural insight into the mechanism of K48-specific ubiquitin chain synthesis.
Biochem. Biophys. Res. Commun., 506, 2018
6C9D
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BU of 6c9d by Molmil
Crystal structure of KA1-autoinhibited MARK1 kinase
Descriptor: Serine/threonine-protein kinase MARK1,Serine/threonine-protein kinase MARK1
Authors:Emptage, R.P, Marmorstein, R.
Deposit date:2018-01-26
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural Basis for MARK1 Kinase Autoinhibition by Its KA1 Domain.
Structure, 26, 2018
5XBO
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BU of 5xbo by Molmil
Lanthanoid tagging via an unnatural amino acid for protein structure characterization
Descriptor: Polyubiquitin-B, TERBIUM(III) ION, UV excision repair protein RAD23 homolog A
Authors:Jiang, W, Gu, X, Dong, X, Tang, C.
Deposit date:2017-03-21
Release date:2017-05-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Lanthanoid tagging via an unnatural amino acid for protein structure characterization
J. Biomol. NMR, 67, 2017
5KZ8
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BU of 5kz8 by Molmil
Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one
Descriptor: 5,5-dimethyl-7-[(1~{S})-4-oxidanyl-1~{H}-inden-1-yl]-2-phenylazanyl-pyrrolo[2,3-d]pyrimidin-6-one, Serine/threonine-protein kinase MARK2
Authors:Su, H.P, Munshi, S.K.
Deposit date:2016-07-23
Release date:2017-05-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017

 

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数据于2024-09-18公开中

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