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PDB: 12920 件

6FNS
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Ergothioneine-biosynthetic methyltransferase EgtD in complex with morpholinohistidine
分子名称: GLYCEROL, Histidine N-alpha-methyltransferase, Morpholinohistidine
著者Vit, A, Blankenfeldt, W, Seebeck, F.P.
登録日2018-02-05
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Inhibition and Regulation of the Ergothioneine Biosynthetic Methyltransferase EgtD.
ACS Chem. Biol., 13, 2018
5OL2
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BU of 5ol2 by Molmil
The electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile
分子名称: Acyl-CoA dehydrogenase, CALCIUM ION, COENZYME A PERSULFIDE, ...
著者Demmer, J.K, Chowdhury, N.P, Selmer, T, Ermler, U, Buckel, W.
登録日2017-07-26
公開日2017-11-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The semiquinone swing in the bifurcating electron transferring flavoprotein/butyryl-CoA dehydrogenase complex from Clostridium difficile.
Nat Commun, 8, 2017
8DK4
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BU of 8dk4 by Molmil
Peroxisome proliferator-activated receptor gamma in complex with VSP-51-2
分子名称: 5-(benzylcarbamoyl)-1-[(4-chloro-3-fluorophenyl)methyl]-1H-indole-2-carboxylic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
著者Ma, L, Zhou, X.E, Suino-Powell, K, Hou, N, Zhou, Z, Luo, J, Xu, H.E, Yi, W.
登録日2022-07-02
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Identification of VSP-51-2 as the Novel and Safe PPAR gamma Modulator: Structure-Based Design, Biological Validation and Crystal Analysis
To Be Published
7TUZ
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BU of 7tuz by Molmil
Cryo-EM structure of 7alpha,25-dihydroxycholesterol-bound EBI2/GPR183 in complex with Gi protein
分子名称: (2S,4aS,4bS,7R,8S,8aS,9R,10aR)-7-[(2R,3R)-7-hydroxy-3,7-dimethyloctan-2-yl]-4a,7,8-trimethyltetradecahydrophenanthrene-2,9-diol, G-protein coupled receptor 183, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Chen, H, Hung, W, Li, X.
登録日2022-02-03
公開日2022-04-13
最終更新日2022-07-20
実験手法ELECTRON MICROSCOPY (3.12 Å)
主引用文献Structures of oxysterol sensor EBI2/GPR183, a key regulator of the immune response.
Structure, 30, 2022
1VHI
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BU of 1vhi by Molmil
EPSTEIN BARR VIRUS NUCLEAR ANTIGEN-1 DNA-BINDING DOMAIN, RESIDUES 470-607
分子名称: EPSTEIN BARR VIRUS NUCLEAR ANTIGEN-1
著者Bochkarev, A, Barwell, J, Pfuetzner, R, Furey, W, Edwards, A, Frappier, L.
登録日1996-10-05
公開日1996-12-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of the DNA-binding domain of the Epstein-Barr virus origin-binding protein EBNA 1.
Cell(Cambridge,Mass.), 83, 1995
4JHR
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BU of 4jhr by Molmil
An auto-inhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
分子名称: G-protein-signaling modulator 2
著者Pan, Z, Zhu, J, Shang, Y, Wei, Z, Jia, M, Xia, C, Wen, W, Wang, W, Zhang, M.
登録日2013-03-05
公開日2013-06-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献An autoinhibited conformation of LGN reveals a distinct interaction mode between GoLoco motifs and TPR motifs
Structure, 21, 2013
6GQK
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Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 23)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
5XMC
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BU of 5xmc by Molmil
Crystal structure of the auto-inhibited Nedd4 family E3 ligase Itch
分子名称: E3 ubiquitin-protein ligase Itchy
著者Shan, Z, Wen, W.
登録日2017-05-13
公開日2017-08-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Allosteric auto-inhibition and activation of the Nedd4 family E3 ligase Itch
EMBO Rep., 18, 2017
1NPC
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BU of 1npc by Molmil
THE STRUCTURE OF NEUTRAL PROTEASE FROM BACILLUS CEREUS AT 0.2-NM RESOLUTION
分子名称: CALCIUM ION, NEUTRAL PROTEASE, ZINC ION
著者Stark, W, Pauptit, R.A, Jansonius, J.N.
登録日1992-01-08
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The structure of neutral protease from Bacillus cereus at 0.2-nm resolution.
Eur.J.Biochem., 207, 1992
1Z3V
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BU of 1z3v by Molmil
Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with lactose
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, cellulase
著者Ubhayasekera, W, Munoz, I.G, Stahlberg, J, Mowbray, S.L.
登録日2005-03-14
公開日2005-04-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structures of Phanerochaete chrysosporium Cel7D in complex with product and inhibitors
Febs J., 272, 2005
5QPR
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BU of 5qpr by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00001145b
分子名称: 1-phenylmethoxyurea, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ5
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BU of 5qq5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with PKTTA024495b
分子名称: 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQV
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BU of 5qqv by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1545312521
分子名称: (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QR9
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BU of 5qr9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31478129
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6GXD
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BU of 6gxd by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD752MS after reaction initiation
分子名称: CHLORIDE ION, fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
登録日2018-06-27
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
4G5Q
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BU of 4g5q by Molmil
Structure of LGN GL4/Galphai1 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4O1H
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BU of 4o1h by Molmil
Crystal Structure of the regulatory domain of AmeGlnR
分子名称: Transcription regulator GlnR
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
6GQM
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BU of 6gqm by Molmil
Crystal structure of human c-KIT kinase domain in complex with a small molecule inhibitor, AZD3229
分子名称: CHLORIDE ION, Mast/stem cell growth factor receptor Kit, ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
5QPQ
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BU of 5qpq by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000631a
分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQ8
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BU of 5qq8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a
分子名称: 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, ACETATE ION, Farnesyl diphosphate synthase, ...
著者Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W.
登録日2019-03-12
公開日2020-04-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
5QQU
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BU of 5qqu by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1348371854
分子名称: 5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PanDDA analysis group deposition
To Be Published
6STI
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BU of 6sti by Molmil
Crystal structure of RXRalpha LBD in complex with LG 100754 and a coactivator peptide
分子名称: (2E,4E,6Z)-3-methyl-7-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)octa-2,4,6-trienoic acid, ACETATE ION, Nuclear receptor coactivator 2, ...
著者le Maire, A, Teyssier, C, Germain, P, Bourguet, W.
登録日2019-09-10
公開日2019-11-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.892 Å)
主引用文献Regulation of RXR-RAR Heterodimers by RXR- and RAR-Specific Ligands and Their Combinations.
Cells, 8, 2019
5QRB
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BU of 5qrb by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434868
分子名称: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4O1I
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BU of 4o1i by Molmil
Crystal Structure of the regulatory domain of MtbGlnR
分子名称: Transcriptional regulatory protein
著者Lin, W, Wang, C, Zhang, P.
登録日2013-12-16
公開日2014-04-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Atypical OmpR/PhoB Subfamily Response Regulator GlnR of Actinomycetes Functions as a Homodimer, Stabilized by the Unphosphorylated Conserved Asp-focused Charge Interactions
J.Biol.Chem., 289, 2014
6E5I
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BU of 6e5i by Molmil
Heterogeneous-Backbone Mimics of a Designed Disulfide-Rich Protein: Orn turn
分子名称: Designed peptide NC_HEE_D1: Orn turn mutant
著者Cabalteja, C.C, Mihalko, D.S, Horne, W.S.
登録日2018-07-20
公開日2018-11-21
最終更新日2020-01-01
実験手法SOLUTION NMR
主引用文献Heterogeneous-Backbone Foldamer Mimics of a Computationally Designed, Disulfide-Rich Miniprotein.
Chembiochem, 20, 2019

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