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5MJL
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BU of 5mjl by Molmil
Single-shot pink beam serial crystallography: Proteinase K
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
登録日2016-12-01
公開日2017-11-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.21013784 Å)
主引用文献Pink-beam serial crystallography.
Nat Commun, 8, 2017
2HE4
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BU of 2he4 by Molmil
The crystal structure of the second PDZ domain of human NHERF-2 (SLC9A3R2) interacting with a mode 1 PDZ binding motif
分子名称: 1,2-ETHANEDIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF2
著者Papagrigoriou, E, Elkins, J.M, Berridge, G, Gileady, O, Colebrook, S, Gileadi, C, Salah, E, Savitsky, P, Pantic, N, Gorrec, F, Bunkoczi, G, Weigelt, J, Arrowsmith, C, Sundstrom, M, Edwards, A, Doyle, D.A, Structural Genomics Consortium (SGC)
登録日2006-06-21
公開日2006-07-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
2I1N
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BU of 2i1n by Molmil
Crystal structure of the 1st PDZ domain of Human DLG3
分子名称: Discs, large homolog 3, SODIUM ION
著者Turnbull, A.P, Phillips, C, Bunkoczi, G, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Gorrec, F, Umeano, C, Elkins, J, Berridge, G, Savitsky, P, Gileadi, O, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC)
登録日2006-08-14
公開日2006-09-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of PICK1 and other PDZ domains obtained with the help of self-binding C-terminal extensions.
Protein Sci., 16, 2007
6RPP
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BU of 6rpp by Molmil
Crystal structure of PabCDC21-1 intein
分子名称: ACETATE ION, Cell division control protein, DI(HYDROXYETHYL)ETHER
著者Mikula, K.M, Beyer, H.M, Iwai, H.
登録日2019-05-14
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
6RPQ
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BU of 6rpq by Molmil
Crystal structure of PhoCDC21-1 intein
分子名称: Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
著者Beyer, H.M, Mikula, K.M, Iwai, H.
登録日2019-05-14
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.654 Å)
主引用文献Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
8V1X
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BU of 8v1x by Molmil
Crystal structure of polyketide synthase (PKS) thioreductase domain from Streptomyces coelicolor
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pereira, J.H, Dan, Q, Keasling, J, Adams, P.D.
登録日2023-11-21
公開日2024-11-27
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A polyketide-based biosynthetic platform for diols, amino alcohols and hydroxy acids
Nat Catal, 8, 2025
7QKB
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BU of 7qkb by Molmil
Crystal structure of human Cathepsin L in complex with covalently bound GC376
分子名称: CHLORIDE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
登録日2021-12-17
公開日2022-12-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
2XSC
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BU of 2xsc by Molmil
Crystal structure of the cell-binding B oligomer of verotoxin-1 from E. coli
分子名称: SHIGA-LIKE TOXIN 1 SUBUNIT B, ZINC ION
著者Stein, P.E, Boodhoo, A, Tyrrell, G.J, Brunton, J.L, Oeffner, R.D, Bunkoczi, G, Read, R.J.
登録日2010-09-27
公開日2010-10-13
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.052 Å)
主引用文献Crystal Structure of the Cell-Binding B Oligomer of Verotoxin-1 from E. Coli.
Nature, 355, 1992
6TOC
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BU of 6toc by Molmil
Crystal structure of the oligomerisation domain of the transcription factor PHOSPHATE STARVATION RESPONSE 1 from Arabidopsis (crystal form 3).
分子名称: Protein PHOSPHATE STARVATION RESPONSE 1
著者Hothorn, M.
登録日2019-12-11
公開日2021-01-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献Inositol pyrophosphates promote the interaction of SPX domains with the coiled-coil motif of PHR transcription factors to regulate plant phosphate homeostasis.
Nat Commun, 12, 2021
2BVA
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BU of 2bva by Molmil
Crystal structure of the human P21-activated kinase 4
分子名称: P21-ACTIVATED KINASE 4
著者Debreczeni, J.E, Bunkoczi, G, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S.
登録日2005-06-23
公開日2005-07-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
8RZA
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BU of 8rza by Molmil
Ribonuclease W
分子名称: MAGNESIUM ION, PHOSPHATE ION, Probable ribonuclease FAU-1, ...
著者Vayssieres, M, Blaud, M, Leulliot, N.
登録日2024-02-12
公開日2024-11-06
最終更新日2024-12-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献RNase W, a conserved ribonuclease family with a novel active site.
Nucleic Acids Res., 52, 2024
8B8H
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BU of 8b8h by Molmil
Structure of DCS-resistant variant D322N of alanine racemase from M. tuberculosis in complex with DCS
分子名称: (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium, 1,2-ETHANEDIOL, Alanine racemase, ...
著者de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S.
登録日2022-10-04
公開日2023-04-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis .
Acs Bio Med Chem Au, 3, 2023
8RIV
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BU of 8riv by Molmil
T2R-TTL-1-K08 complex
分子名称: (4-fluoranyl-2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E, Prota, A.E.P.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RIW
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BU of 8riw by Molmil
T2R-TTL-1-L01 complex
分子名称: (2-methyl-1~{H}-indol-5-yl) 3,4,5-trimethoxybenzenesulfonate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
著者Prota, A.E.P, Boiarska, Z, Homer, J.A, Steinmetz, M.O, Moses, J.E.
登録日2023-12-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Modular synthesis of functional libraries by accelerated SuFEx click chemistry.
Chem Sci, 15, 2024
8RUU
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BU of 8ruu by Molmil
Fabs derived from bimekizumab in complex with IL-17F
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoblobulin heavy chain, Immunoblobulin light chain, ...
著者Adams, R, Lawson, A.D.G.
登録日2024-01-31
公開日2024-04-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Crystal Structure of Bimekizumab Fab Fragment in Complex with IL-17F Provides Molecular Basis for Dual IL-17A and IL-17F Inhibition.
J Invest Dermatol., 144, 2024
8ROP
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BU of 8rop by Molmil
Crystal structure of HLA B*18:01 in complex with QEIRTFSF, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CHLORIDE ION, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-12
公開日2024-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
8ROO
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BU of 8roo by Molmil
Crystal structure of HLA B*18:01 in complex with YERMCNIL, an 8-mer epitope from Influenza A
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, Influenza A derived peptide/Nucleoprotein, ...
著者Murdolo, L.D, Maddumage, J.C, Gras, S.
登録日2024-01-11
公開日2024-05-08
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Characterisation of novel influenza-derived HLA-B*18:01-restricted epitopes.
Clin Transl Immunology, 13, 2024
8RNZ
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BU of 8rnz by Molmil
Metal-binding domain 3 of copper-transporting ATPase RAN1 from Arabidopsis thaliana
分子名称: Copper-transporting ATPase RAN1
著者Minges, A, Dluhosch, D, Groth, G.
登録日2024-01-11
公開日2025-01-29
最終更新日2025-02-12
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Exploring the Role of Individual Metal Binding Domains (MBDs) in Soluble and Membrane-bound Copper Chaperones for Metal Transport and Delivery to the ETR1 Ethylene Receptor in Arabidopsis thaliana
To Be Published, 2025
8BRX
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BU of 8brx by Molmil
Escherichia coli methionyl-tRNA synthetase mutant L13C,I297C complexed with beta-3-methionine
分子名称: (3R)-3-amino-5-(methylsulfanyl)pentanoic acid, CITRIC ACID, Methionine--tRNA ligase, ...
著者Schmitt, E, Mechulam, Y, Nigro, G, Opuu, V, Lazennec-Schurdevin, C, Simonson, T.
登録日2022-11-24
公開日2023-08-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Redesigning methionyl-tRNA synthetase for beta-methionine activity with adaptive landscape flattening and experiments.
Protein Sci., 32, 2023
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
分子名称: AlpA family phage regulatory protein
著者Smyshlyaev, G, Arinkin, V, Barabas, O.
登録日2022-12-28
公開日2024-01-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
2EU9
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BU of 2eu9 by Molmil
Crystal Structure of CLK3
分子名称: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3
著者Papagrigoriou, E, Rellos, P, Das, S, Ugochukwu, E, Turnbull, A, von Delft, F, Bunkoczi, G, Sobott, F, Bullock, A, Fedorov, O, Gileadi, C, Savitsky, P, Edwards, A, Aerrowsmith, C, Weigelt, J, Sundstrom, M, Knapp, S.
登録日2005-10-28
公開日2005-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Kinase domain insertions define distinct roles of CLK kinases in SR protein phosphorylation.
Structure, 17, 2009
4ABN
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BU of 4abn by Molmil
Crystal structure of full length mouse Strap (TTC5)
分子名称: 1,2-ETHANEDIOL, TETRATRICOPEPTIDE REPEAT PROTEIN 5
著者Pike, A.C.W, Bullock, A.N, Kleinekofort, W, Zimmermann, T, Burgess-Brown, N, Sharpe, T.D, Thangaratnarajah, C, Keates, T, Ugochukwu, E, Bunkoczi, G, Uppenberg, J, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, La Thangue, N.B, Knapp, S.
登録日2011-12-09
公開日2012-01-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The P53 Cofactor Strap Exhibits an Unexpected Tpr Motif and Oligonucleotide-Binding (Ob)-Fold Structure.
Proc.Natl.Acad.Sci.USA, 109, 2012
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
分子名称: (S)-hydroxynitrile lyase
著者Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
登録日2022-10-19
公開日2022-11-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献to be published
To Be Published
8DAF
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BU of 8daf by Molmil
Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid
分子名称: 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ...
著者D'Agostino, E.H, Cato, M.L, Ortlund, E.A.
登録日2022-06-13
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023

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