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4R8T
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BU of 4r8t by Molmil
Structure of JEV protease
分子名称: CHLORIDE ION, NS3, Serine protease subunit NS2B
著者Nair, D.T, Weinert, T, Wang, M, Olieric, V.
登録日2014-09-03
公開日2014-12-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.133 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
2P1U
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BU of 2p1u by Molmil
Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2
分子名称: (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-4-HYDROXYPHENYL]ACRYLIC ACID, Nuclear receptor coactivator 2 peptide, Retinoic acid receptor RXR-alpha
著者Bourguet, W, Nahoum, V.
登録日2007-03-06
公開日2007-10-09
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function.
Proc.Natl.Acad.Sci.Usa, 104, 2007
4XX8
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BU of 4xx8 by Molmil
Crystal structure of Pro1 deletion mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, Macrophage migration inhibitory factor, SULFATE ION
著者Pantouris, G, Lolis, E.
登録日2015-01-30
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
3LLM
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BU of 3llm by Molmil
Crystal Structure Analysis of a RNA Helicase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, CACODYLATE ION, ...
著者Schutz, P, Karlberg, T, Collins, R, Arrowsmith, C.H, Berglund, H, Bountra, C, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.M, Structural Genomics Consortium (SGC)
登録日2010-01-29
公開日2010-05-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of human RNA helicase A (DHX9): structural basis for unselective nucleotide base binding in a DEAD-box variant protein.
J.Mol.Biol., 400, 2010
4Y1C
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BU of 4y1c by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
分子名称: CADMIUM ION, Cyclic hexapeptide cyc[NdPopPKID], Integrase, ...
著者Wielens, J, Chalmers, D.K.
登録日2015-02-07
公開日2015-02-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
5PC4
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BU of 5pc4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 25)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PCR
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BU of 5pcr by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 48)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDA
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BU of 5pda by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 66)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDO
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BU of 5pdo by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 81)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PE3
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BU of 5pe3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 96)
分子名称: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Vollmar, M, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-03
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
4XX7
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BU of 4xx7 by Molmil
Crystal structure of M2A mutant of human macrophage migration inhibitory factor
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
著者Pantouris, G, Lolis, E.
登録日2015-01-29
公開日2015-09-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献An Analysis of MIF Structural Features that Control Functional Activation of CD74.
Chem.Biol., 22, 2015
5O4T
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BU of 5o4t by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ061
分子名称: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
著者Zhu, J, Caflisch, A.
登録日2017-05-30
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
4Y1D
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BU of 4y1d by Molmil
Cyclic hexapeptide cyc[NdPopPKID] in complex with HIV-1 integrase core domain
分子名称: CADMIUM ION, CHLORIDE ION, Cyclic hexapeptide cyc[NdPopPKID], ...
著者Wielens, J, Chalmers, D.K.
登録日2015-02-07
公開日2015-05-13
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献HEXAPEPTIDE MIMETICS OF LEDGF IN COMPLEX WITH HIV-1 INTEGRASE
To Be Published
2QPY
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BU of 2qpy by Molmil
AR LBD with small molecule
分子名称: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Coactivator peptide, ...
著者Estebanez-Perpina, E, Fletterick, R.
登録日2007-07-25
公開日2007-09-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A surface on the androgen receptor that allosterically regulates coactivator binding.
Proc.Natl.Acad.Sci.Usa, 104, 2007
1NGU
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BU of 1ngu by Molmil
NMR Structure of Putative 3'Terminator for B. Anthracis pagA Gene Noncoding Strand
分子名称: 5'-D(*CP*TP*CP*TP*CP*CP*TP*TP*GP*TP*AP*TP*TP*TP*CP*TP*TP*AP*CP*AP*AP*AP*AP*AP*GP*AP*G)-3'
著者Shiflett, P.R, Taylor-McCabe, K.J, Michalczyk, R, Silks, L.A, Gupta, G.
登録日2002-12-17
公開日2003-06-10
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structural Studies on the Hairpins at the 3' Untranslated Region of an Anthrax Toxin Gene
Biochemistry, 42, 2003
4RE1
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BU of 4re1 by Molmil
Crystal structure of human TEAD1 and disulfide-engineered YAP
分子名称: CHLORIDE ION, Transcriptional enhancer factor TEF-1, Yorkie homolog
著者Xu, Z, Zhou, Z.
登録日2014-09-21
公開日2014-11-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Targeting Hippo pathway by specific interruption of YAP-TEAD interaction using cyclic YAP-like peptides.
Faseb J., 29, 2015
7R72
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BU of 7r72 by Molmil
State E1 nucleolar 60S ribosome biogenesis intermediate - Spb4 local model
分子名称: 25S rRNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, 5.8S rRNA, ...
著者Cruz, V.E, Sekulski, K, Peddada, N, Erzberger, J.P.
登録日2021-06-24
公開日2022-11-09
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Sequence-specific remodeling of a topologically complex RNP substrate by Spb4.
Nat.Struct.Mol.Biol., 29, 2022
2RCW
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BU of 2rcw by Molmil
PARP complexed with A620223
分子名称: Poly [ADP-ribose] polymerase 1, trans-4-(7-carbamoyl-1H-benzimidazol-2-yl)-1-propylpiperidinium
著者Park, C.H.
登録日2007-09-20
公開日2008-09-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献PARP complexed with A620223
To be Published
2RFI
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BU of 2rfi by Molmil
Crystal structure of catalytic domain of human euchromatic histone methyltransferase 1 in complex with SAH and dimethylated H3K9 peptide
分子名称: Histone H3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Min, J, Wu, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
登録日2007-09-30
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structural biology of human H3K9 methyltransferases
Plos One, 5, 2010
7WU7
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BU of 7wu7 by Molmil
Prefoldin-tubulin-TRiC complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Prefoldin subunit 1, Prefoldin subunit 2, ...
著者Gestaut, D, Zhao, Y, Park, J, Ma, B, Leitner, A, Collier, M, Pintilie, G, Roh, S.-H, Chiu, W, Frydman, J.
登録日2022-02-07
公開日2022-12-21
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Structural visualization of the tubulin folding pathway directed by human chaperonin TRiC/CCT.
Cell, 185, 2022
4RHP
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BU of 4rhp by Molmil
Crystal structure of human COQ9 in complex with a phospholipid, Northeast Structural Genomics Consortium Target HR5043
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Ubiquinone biosynthesis protein COQ9, mitochondrial
著者Forouhar, F, Lew, S, Seetharaman, J, Wang, H, Lee, D, Kogan, S, Maglaqui, M, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP)
登録日2014-10-02
公開日2014-10-22
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Mitochondrial COQ9 is a lipid-binding protein that associates with COQ7 to enable coenzyme Q biosynthesis.
Proc.Natl.Acad.Sci.USA, 111, 2014
6RA4
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BU of 6ra4 by Molmil
Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU
分子名称: GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3')
著者Rondeau, J.-M, Bourgier, E.
登録日2019-04-05
公開日2019-05-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
7B7D
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BU of 7b7d by Molmil
Yeast 80S ribosome bound to eEF3 and A/A- and P/P-tRNAs
分子名称: 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ...
著者Ranjan, N, Pochopien, A.A, Wu, C.C, Beckert, B, Blanchet, S, Green, R, Rodnina, M.V, Wilson, D.N.
登録日2020-12-10
公開日2021-03-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献eEF3 promotes late stages of tRNA translocation including E-tRNA release from the ribosome
To Be Published
7E73
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BU of 7e73 by Molmil
Crystal structure of human ERK2 mutant (Y36H)
分子名称: Mitogen-activated protein kinase 1, SULFATE ION
著者Park, Y.S, Kim, M, Ryu, S.E.
登録日2021-02-25
公開日2022-03-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural mechanism of inhibitor-resistance by ERK2 mutations
Biodesign, 9, 2021
5OK6
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BU of 5ok6 by Molmil
Ubiquitin specific protease 11 USP11 - peptide F complex
分子名称: 1,2-ETHANEDIOL, ALA-GLU-GLY-GLU-PHE-TYR-LYS-LEU-LYS-ILE-ARG-THR-PRO-AAR, GLYCEROL, ...
著者Spiliotopoulos, A, Dreveny, I.
登録日2017-07-25
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of peptide ligands targeting a specific ubiquitin-like domain-binding site in the deubiquitinase USP11.
J.Biol.Chem., 294, 2019

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