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2WBS
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BU of 2wbs by Molmil
Crystal structure of the zinc finger domain of Klf4 bound to its target DNA
分子名称: 5'-D(*GP*AP*GP*GP*CP*GP*CP)-3', 5'-D(*GP*CP*GP*CP*CP*TP*CP)-3', GLYCEROL, ...
著者Zocher, G, Schuetz, A, Carstanjen, D, Heinemann, U.
登録日2009-03-03
公開日2010-04-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of the Klf4 DNA-Binding Domain Links to Self-Renewal and Macrophage Differentiation.
Cell.Mol.Life Sci., 68, 2011
5N20
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BU of 5n20 by Molmil
Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand
分子名称: B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide
著者Robb, G, Ferguson, A, Hargreaves, D.
登録日2017-02-06
公開日2017-05-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
3B3J
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BU of 3b3j by Molmil
The 2.55 A crystal structure of the apo catalytic domain of coactivator-associated arginine methyl transferase I(CARM1:28-507, residues 28-146 and 479-507 not ordered)
分子名称: BENZAMIDINE, Histone-arginine methyltransferase CARM1
著者Troffer-Charlier, N, Cura, V, Hassenboehler, P, Moras, D, Cavarelli, J.
登録日2007-10-22
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Functional insights from structures of coactivator-associated arginine methyltransferase 1 domains.
Embo J., 26, 2007
5LJN
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BU of 5ljn by Molmil
Structure of the HOIP PUB domain bound to SPATA2 PIM peptide
分子名称: E3 ubiquitin-protein ligase RNF31, GLYCEROL, SULFATE ION, ...
著者Elliott, P.R, Komander, D.
登録日2016-07-18
公開日2016-08-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
7B03
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BU of 7b03 by Molmil
Cryo-EM structure of the green-light absorbing proteorhodopsin
分子名称: Proteorhodopsin, RETINAL
著者Hirschi, S, Kalbermatter, D, Fotiadis, D.
登録日2020-11-18
公開日2021-06-16
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Cryo-EM structure and dynamics of the green-light absorbing proteorhodopsin
Nature Communications, 12, 2021
1G66
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BU of 1g66 by Molmil
ACETYLXYLAN ESTERASE AT 0.90 ANGSTROM RESOLUTION
分子名称: ACETYL XYLAN ESTERASE II, GLYCEROL, SULFATE ION
著者Ghosh, D, Sawicki, M, Lala, P, Erman, M, Pangborn, W, Eyzaguirre, J, Gutierrez, R, Jornvall, H, Thiel, D.J.
登録日2000-11-03
公開日2001-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (0.9 Å)
主引用文献Multiple conformations of catalytic serine and histidine in acetylxylan esterase at 0.90 A.
J.Biol.Chem., 276, 2001
1GG6
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BU of 1gg6 by Molmil
CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-PHENYLALANINE TRIFLUOROMETHYL KETONE BOUND AT THE ACTIVE SITE
分子名称: 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), 1,2-ETHANEDIOL, GAMMA CHYMOTRYPSIN, ...
著者Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A.
登録日2000-07-31
公開日2000-09-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2001
5MYP
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BU of 5myp by Molmil
Structure of apo-TbALDH3
分子名称: Aldehyde dehydrogenase, GLYCEROL
著者Zoltner, M, Zhang, N, Horn, D, Field, M.C.
登録日2017-01-27
公開日2017-04-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Activation of an anti-trypanosomal benzoxaborole requires both host and parasite factors
To Be Published
5N6I
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BU of 5n6i by Molmil
Crystal structure of mouse cGAS in complex with 39 bp DNA
分子名称: Cyclic GMP-AMP synthase, DNA (36-MER), DNA (37-MER), ...
著者Andreeva, L, Kostrewa, D, Hopfner, K.-P.
登録日2017-02-15
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献cGAS senses long and HMGB/TFAM-bound U-turn DNA by forming protein-DNA ladders.
Nature, 549, 2017
1G5V
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BU of 1g5v by Molmil
SOLUTION STRUCTURE OF THE TUDOR DOMAIN OF THE HUMAN SMN PROTEIN
分子名称: SURVIVAL MOTOR NEURON PROTEIN 1
著者Selenko, P, Sprangers, R, Stier, G, Buehler, D, Fischer, U, Sattler, M.
登録日2000-11-02
公開日2001-05-02
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献SMN tudor domain structure and its interaction with the Sm proteins.
Nat.Struct.Biol., 8, 2001
5LOA
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BU of 5loa by Molmil
Crystal structure of the engineered D-Amino Acid Dehydrogenase (DAADH) bound to NADP+
分子名称: Meso-diaminopimelate D-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Dunstan, M.S, Gahloth, D.
登録日2016-08-09
公開日2017-08-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Single-biocatalyst synthesis of enantiopure D-arylalanines exploiting an engineered D-amino acid dehydrogenase
To Be Published
2BE7
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BU of 2be7 by Molmil
Crystal structure of the unliganded (T-state) aspartate transcarbamoylase of the psychrophilic bacterium Moritella profunda
分子名称: Aspartate Carbamoyltransferase Catalytic Chain, Aspartate Carbamoyltransferase Regulatory Chain, SULFATE ION, ...
著者De Vos, D, Savvides, S.N, Van Beeumen, J.
登録日2005-10-23
公開日2006-10-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Structural investigation of cold activity and regulation of aspartate carbamoyltransferase from the extreme psychrophilic bacterium Moritella profunda.
J.Mol.Biol., 365, 2007
1GGD
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BU of 1ggd by Molmil
CRYSTAL STRUCTURE OF GAMMA CHYMOTRYPSIN WITH N-ACETYL-LEUCIL-PHENYLALANINE ALDEHYDE BOUND AT THE ACTIVE SITE
分子名称: 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Neidhart, D, Wei, Y, Cassidy, C, Lin, J, Cleland, W.W, Frey, P.A.
登録日2000-08-14
公開日2000-09-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Correlation of low-barrier hydrogen bonding and oxyanion binding in transition state analogue complexes of chymotrypsin.
Biochemistry, 40, 2000
7K4W
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BU of 7k4w by Molmil
Crystal structure of Kemp Eliminase HG3.17 in the inactive state
分子名称: CALCIUM ION, Endo-1,4-beta-xylanase
著者Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
登録日2020-09-16
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
1GKR
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BU of 1gkr by Molmil
L-Hydantoinase (Dihydropyrimidinase) from Arthrobacter aurescens
分子名称: NON-ATP DEPENDENT L-SELECTIVE HYDANTOINASE, ZINC ION
著者Abendroth, J, Niefind, K, Schomburg, D.
登録日2001-08-20
公開日2002-07-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The structure of L-hydantoinase from Arthobacter aurescens leads to an understanding of dihydropyrimidinase substrate and enantio specificity.
Biochemistry, 41, 2002
6N9E
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BU of 6n9e by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic CC-Pmn and bound to mRNA and P-site tRNA at 3.7A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
著者Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
登録日2018-12-03
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
6N9F
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BU of 6n9f by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic ACCA-DPhe and bound to mRNA and P-site tRNA at 3.7A resolution
分子名称: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ...
著者Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S.
登録日2018-12-03
公開日2018-12-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site.
Nucleic Acids Res., 47, 2019
8QQI
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BU of 8qqi by Molmil
E.coli DNA gyrase in complex with 217 bp substrate DNA and LEI-800
分子名称: DNA gyrase subunit A, DNA gyrase subunit B, MAGNESIUM ION, ...
著者Ghilarov, D, Martin, N.I, van der Stelt, M.
登録日2023-10-04
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Discovery of isoquinoline sulfonamides as allosteric gyrase inhibitors with activity against fluoroquinolone-resistant bacteria.
Nat.Chem., 2024
1GKS
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BU of 1gks by Molmil
ECTOTHIORHODOSPIRA HALOPHILA CYTOCHROME C551 (REDUCED), NMR, 37 STRUCTURES
分子名称: CYTOCHROME C551, PROTOPORPHYRIN IX CONTAINING FE
著者Bersch, B, Blackledge, M.J, Meyer, T.E, Marion, D.
登録日1996-07-16
公開日1997-01-27
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Ectothiorhodospira halophila ferrocytochrome c551: solution structure and comparison with bacterial cytochromes c.
J.Mol.Biol., 264, 1996
3B3F
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BU of 3b3f by Molmil
The 2.2 A crystal structure of the catalytic domain of coactivator-associated arginine methyl transferase I(CARM1,142-478), in complex with S-adenosyl homocysteine
分子名称: Histone-arginine methyltransferase CARM1, S-ADENOSYL-L-HOMOCYSTEINE
著者Troffer-Charlier, N, Cura, V, Hassenboehler, P, Moras, D, Cavarelli, J.
登録日2007-10-22
公開日2007-11-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional insights from structures of coactivator-associated arginine methyltransferase 1 domains.
Embo J., 26, 2007
5NJS
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BU of 5njs by Molmil
Mix-and-diffuse serial synchrotron crystallography: structure of N,N',N''-Triacetylchitotriose bound to Lysozyme with 50s time-delay, phased with 1HEW
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ...
著者Oberthuer, D, Meents, A, Beyerlein, K.R, Chapman, H.N, Lieseke, J.
登録日2017-03-29
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mix-and-diffuse serial synchrotron crystallography.
IUCrJ, 4, 2017
3J3I
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BU of 3j3i by Molmil
Penicillium chrysogenum virus (PcV) capsid structure
分子名称: Capsid protein
著者Luque, D, Gomez-Blanco, J, Garriga, D, Brilot, A, Gonzalez, J.M, Havens, W.H, Carrascosa, J.L, Trus, B.L, Verdaguer, N, Grigorieff, N, Ghabrial, S.A, Caston, J.R.
登録日2013-03-08
公開日2014-05-14
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM near-atomic structure of a dsRNA fungal virus shows ancient structural motifs preserved in the dsRNA viral lineage.
Proc.Natl.Acad.Sci.USA, 111, 2014
7GDP
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with NAU-LAT-8502cac5-2 (Mpro-x11186)
分子名称: (3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.821 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GB1
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with STE-KUL-2e0d2e88-2 (Mpro-x10150)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.289 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023
7GE3
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Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with TRY-UNI-714a760b-3 (Mpro-x11317)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
著者Fearon, D, Aimon, A, Aschenbrenner, J.C, Balcomb, B.H, Bertram, F.K.R, Brandao-Neto, J, Dias, A, Douangamath, A, Dunnett, L, Godoy, A.S, Gorrie-Stone, T.J, Koekemoer, L, Krojer, T, Lithgo, R.M, Lukacik, P, Marples, P.G, Mikolajek, H, Nelson, E, Owen, C.D, Powell, A.J, Rangel, V.L, Skyner, R, Strain-Damerell, C.M, Thompson, W, Tomlinson, C.W.E, Wild, C, Walsh, M.A, von Delft, F.
登録日2023-08-11
公開日2023-11-08
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.
Science, 382, 2023

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