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7MT1
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BU of 7mt1 by Molmil
Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
分子名称: GLYCEROL, Platelet-activating factor acetylhydrolase IB subunit beta, UNKNOWN ATOM OR ION
著者Hutchinson, A, Seitova, A, Dong, A, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2021-05-12
公開日2021-06-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of Human Platelet-activating factor acetylhydrolase IB subunit beta (PAFAH1B1)
To Be Published
8SHJ
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BU of 8shj by Molmil
Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279
分子名称: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-04-14
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
5YAW
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BU of 5yaw by Molmil
Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
分子名称: 3-[(4-methoxyphenyl)methylsulfanyl]-5-(2-methylpropyl)-4-(phenylmethyl)-1,2,4-triazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Bing, X, Yanlian, L, Danyan, C.
登録日2017-09-01
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.027 Å)
主引用文献Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
To Be Published
8JE2
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BU of 8je2 by Molmil
Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN
分子名称: Cullin-2, Elongin-B, Elongin-C, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
8JE1
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An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
5YAV
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BU of 5yav by Molmil
Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
分子名称: 1-phenyl-5-propan-2-ylsulfanyl-1,2,3,4-tetrazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Bing, X, Yanlian, L, Danyan, C.
登録日2017-09-01
公開日2018-09-05
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.989 Å)
主引用文献Fragment-based Drug Discovery of inhibitors to block PDEdelta-RAS protein-protein interaction
To Be Published
3F8P
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BU of 3f8p by Molmil
Structure of Sulfolobus solfataricus TrxR-B3
分子名称: ACETIC ACID, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L.
登録日2008-11-13
公開日2009-01-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and stability of a thioredoxin reductase from Sulfolobus solfataricus: a thermostable protein with two functions
Biochim.Biophys.Acta, 1794, 2009
8T55
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Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
5YOU
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BU of 5you by Molmil
Crystal structure of BRD4-BD1 bound with hjp64
分子名称: (3~{R})-4-cyclopropyl-~{N},1,3-trimethyl-~{N}-(4-methylphenyl)-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide, Bromodomain-containing protein 4
著者Bing, X, Jianping, H, Yanlian, L, Danyan, C.
登録日2017-10-31
公開日2018-11-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Crystal structure of BRD4-BD1 bound with hjp64
To Be Published
3F8D
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BU of 3f8d by Molmil
Structure of Sulfolobus solfataricus Thioredoxin reductase Mutant C147A
分子名称: ACETIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, ...
著者Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L.
登録日2008-11-12
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure and stability of a thioredoxin reductase from Sulfolobus solfataricus: a thermostable protein with two functions
Biochim.Biophys.Acta, 1794, 2009
8TBX
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BU of 8tbx by Molmil
Crystal structure of human DDX1 helicase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ...
著者Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
登録日2023-06-29
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of human DDX1 helicase in complex with ADP
To be published
8SWJ
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BU of 8swj by Molmil
Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
分子名称: (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION
著者Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-05-18
公開日2023-08-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531
To be published
8T5I
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BU of 8t5i by Molmil
Crystal structure of human WDR5 in complex with MR4397
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ...
著者Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-13
公開日2023-08-09
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human WDR5 in complex with MR4397
To be published
8T9A
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BU of 8t9a by Molmil
CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
分子名称: DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3
著者Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y.
登録日2023-06-23
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.17 Å)
主引用文献CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
To Be Published
8IJ1
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BU of 8ij1 by Molmil
Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-02-24
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
5WAX
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BU of 5wax by Molmil
Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10)
分子名称: GLYCEROL, SAPK10 (serine/threonine-protein kinase 10)
著者Righetto, G.L, Counago, R.M, Halabelian, L, Santiago, A.S, Massirer, K.B, Arruda, P, Gileadi, O, Menossi, M, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC)
登録日2017-06-27
公開日2018-08-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Sugarcane SAPK10 (serine/threonine-protein kinase 10)
To Be Published
8TRE
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BU of 8tre by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
著者Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-08-09
公開日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ATP
To be published
3F8R
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BU of 3f8r by Molmil
Crystal structure of Sulfolobus solfataricus Thioredoxin reductase B3 in complex with two NADP molecules
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Thioredoxin reductase (TrxB-3)
著者Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L.
登録日2008-11-13
公開日2009-01-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and stability of a thioredoxin reductase from Sulfolobus solfataricus: a thermostable protein with two functions
Biochim.Biophys.Acta, 1794, 2009
6A32
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BU of 6a32 by Molmil
Crystal structure of PDGFRA kinase domain mutant T674I
分子名称: Platelet-derived growth factor receptor alpha
著者Yan, X.E, Liang, L, Yun, C.H.
登録日2018-06-14
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Crystal structure of PDGFRA kinase domain mutant T674I
To Be Published
3HHV
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BU of 3hhv by Molmil
The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus
分子名称: Thioredoxin (TrxA-2)
著者Ruggiero, A, Masullo, M, Ruocco, M.R, Arcari, P, Zagari, A, Vitagliano, L.
登録日2009-05-18
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins, 77, 2009
2MI7
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BU of 2mi7 by Molmil
Solution NMR structure of alpha3Y
分子名称: de novo protein a3Y
著者Glover, S.D, Jorge, C, Liang, L, Valentine, K.G, Hammarstrom, L, Tommos, C.
登録日2013-12-10
公開日2014-08-20
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Photochemical tyrosine oxidation in the structurally well-defined alpha 3Y protein: proton-coupled electron transfer and a long-lived tyrosine radical.
J.Am.Chem.Soc., 136, 2014
6BW4
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BU of 6bw4 by Molmil
Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide
分子名称: Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION
著者Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
5EOC
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BU of 5eoc by Molmil
Crystal structure of Fab C2 in complex with a Cyclic variant of Hepatitis C Virus E2 epitope I
分子名称: ALA-CYS-GLN-LEU-ILE-ASN-THR-ASN-GLY-SER-TRP-HIS-ILE-CYS, Fab fragment (Heavy chain), Fab fragment (Light chain)
著者Berisio, R, Ruggiero, A, Sandomenico, A, Patel, A.H, Ruvo, M, Vitagliano, L.
登録日2015-11-10
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Generation and Characterization of Monoclonal Antibodies against a Cyclic Variant of Hepatitis C Virus E2 Epitope 412-422.
J.Virol., 90, 2016
6BW3
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Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide
分子名称: Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION
著者Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2017-12-14
公開日2017-12-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
6JBM
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BU of 6jbm by Molmil
Crystal structure of the TRIM14 PRYSPRY domain
分子名称: SULFATE ION, Tripartite motif-containing protein 14
著者Yin, Y.X, Yu, Y, Liang, L.
登録日2019-01-26
公開日2020-03-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The TRIM14 PRYSPRY domain mediates protein interaction via its basic interface.
Febs Lett., 593, 2019

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