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7Z3X
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BU of 7z3x by Molmil
Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*T)-3'), DNA (5'-D(P*GP*TP*())-3'), ...
Authors:Ni, X, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-03-02
Release date:2022-11-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of FIR RRM1-2 Y115F mutant bound to FUSE ssDNA
To Be Published
7Q8A
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BU of 7q8a by Molmil
Crystal structure of tandem domain RRM1-2 of FUBP-interacting repressor (FIR) bound to FUSE ssDNA fragment
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(P*GP*T)-3'), Poly(U)-binding-splicing factor PUF60, ...
Authors:Ni, X, Joerger, A.C, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-11-10
Release date:2022-11-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of tandem domain RRM1-2 of FIR bound to FUSE ssDNA fragment
To Be Published
6OSL
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BU of 6osl by Molmil
Cryo-EM structure of the N-terminally acetylated C-terminal Alpha-synuclein truncation Ac1-122
Descriptor: Alpha-synuclein
Authors:Ni, X, McGlinchey, R.P, Jiang, J, Lee, J.C.
Deposit date:2019-05-01
Release date:2019-09-25
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural Insights into alpha-Synuclein Fibril Polymorphism: Effects of Parkinson's Disease-Related C-Terminal Truncations.
J.Mol.Biol., 431, 2019
8C1L
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BU of 8c1l by Molmil
Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
Descriptor: 1,2-ETHANEDIOL, Hepatocyte nuclear factor 4-alpha, Nuclear receptor coactivator 2, ...
Authors:Ni, X, Merk, D, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-12-20
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of HNF4 alpha LBD in complexes with palmitic acid and GRIP-1 peptide
To Be Published
6Y2D
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BU of 6y2d by Molmil
Crystal structure of the second KH domain of FUBP1
Descriptor: Far upstream element-binding protein 1, GLYCEROL, SULFATE ION
Authors:Ni, X, Chaikuad, A, Joerger, A.C, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-15
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
6Y2C
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BU of 6y2c by Molmil
Crystal structure of the third KH domain of FUBP1
Descriptor: 1,2-ETHANEDIOL, Far upstream element-binding protein 1, ZINC ION
Authors:Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-15
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
6Y24
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BU of 6y24 by Molmil
Crystal structure of fourth KH domain of FUBP1
Descriptor: 1,2-ETHANEDIOL, Far upstream element-binding protein 1
Authors:Ni, X, Joerger, A.C, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-02-14
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Comparative structural analyses and nucleotide-binding characterization of the four KH domains of FUBP1.
Sci Rep, 10, 2020
6YWK
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BU of 6ywk by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with HEPES
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
4QGU
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BU of 4qgu by Molmil
protein domain complex with ssDNA
Descriptor: DNA (5'-D(P*AP*GP*GP*CP*CP*GP*GP*CP*GP*TP*GP*A)-3'), Gamma-interferon-inducible protein 16
Authors:Ni, X, Ru, H, Zhao, L, Shaw, N, Ding, W, Songying, O, Liu, Z.-J.
Deposit date:2014-05-25
Release date:2015-06-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:New insights into the structural basis of DNA recognition by HINa and HINb domains of IFI16.
J Mol Cell Biol, 8, 2016
6YWM
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BU of 6ywm by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with MES
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Ni, X, Schroeder, M, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
7B0T
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BU of 7b0t by Molmil
Crystal structure of MLLT1 YEATS domain T3 mutant in complex with benzimidazole-amide based compound 1
Descriptor: 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
Authors:Ni, X, Chaikuad, A, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-11-21
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure and Inhibitor Binding Characterization of Oncogenic MLLT1 Mutants.
Acs Chem.Biol., 16, 2021
7BF5
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BU of 7bf5 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with ADP-ribose-phosphate (ADP-ribose-2'-phosphate, ADPRP)
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, NSP3 macrodomain, ...
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
7BF6
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BU of 7bf6 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with remdesivir metabolite GS-441524
Descriptor: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, 1,2-ETHANEDIOL, Papain-like protease nsp3
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
7BF3
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BU of 7bf3 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with adenosine
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, MAGNESIUM ION, ...
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
7BF4
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BU of 7bf4 by Molmil
Crystal structure of SARS-CoV-2 macrodomain in complex with GMP
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, NSP3 macrodomain
Authors:Ni, X, Knapp, S, Chaikuad, A, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2020-12-31
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021
8PN6
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BU of 8pn6 by Molmil
Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
Descriptor: Genome polyprotein, Serine protease subunit NS2B
Authors:Ni, X, Fairhead, M, Balcomb, B.H, Aschenbrenner, J.C, Ferreira, L.M, Godoy, A.S, Lithgo, R.M, MacLean, E.M, Marples, P.G, Thompson, W, Tomlinson, C.W.E, Szommer, T, Wild, C, Wright, N.D, Koekemoer, L, Fearon, D, Walsh, M.A, von Delft, F.
Deposit date:2023-06-29
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal Structure of co-expressed NS2B-NS3 Protease from Zika Virus
To Be Published
6WUH
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BU of 6wuh by Molmil
Mitochondrial SAM complex in lipid nanodiscs
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-04
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
6WUM
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BU of 6wum by Molmil
Mitochondrial SAM complex - dimer 2 in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-04
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
6WUT
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BU of 6wut by Molmil
Mitochondrial SAM complex - high resolution monomer in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-05
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
6WUJ
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BU of 6wuj by Molmil
Mitochondrial SAM complex - monomer in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-04
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
6WUN
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BU of 6wun by Molmil
Mitochondrial SAM complex - dimer 3 in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-04
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
6WUL
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BU of 6wul by Molmil
Mitochondrial SAM complex - dimer 1 in detergent
Descriptor: Bac_surface_Ag domain-containing protein, Sam35, Tom37 domain-containing protein
Authors:Ni, X, Botos, I, Diederichs, K.
Deposit date:2020-05-04
Release date:2020-08-12
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insight into mitochondrial beta-barrel outer membrane protein biogenesis.
Nat Commun, 11, 2020
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
7P4E
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BU of 7p4e by Molmil
Crystal structure of PPARgamma in complex with compound FL217
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
6YWL
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BU of 6ywl by Molmil
Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, MAGNESIUM ION, ...
Authors:Schroeder, M, Ni, X, Olieric, V, Sharpe, E.M, Wojdyla, J.A, Wang, M, Knapp, S, Chaikuad, A, Structural Genomics Consortium (SGC)
Deposit date:2020-04-29
Release date:2020-05-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into Plasticity and Discovery of Remdesivir Metabolite GS-441524 Binding in SARS-CoV-2 Macrodomain.
Acs Med.Chem.Lett., 12, 2021

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PDB entries from 2024-03-27

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