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1TOL
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BU of 1tol by Molmil
FUSION OF N-TERMINAL DOMAIN OF THE MINOR COAT PROTEIN FROM GENE III IN PHAGE M13, AND C-TERMINAL DOMAIN OF E. COLI PROTEIN-TOLA
分子名称: PROTEIN (FUSION PROTEIN CONSISTING OF MINOR COAT PROTEIN, GLYCINE RICH LINKER, TOLA, ...
著者Lubkowski, J, Wlodawer, A, Hennecke, F, Plueckthun, A.
登録日1999-05-17
公開日1999-05-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Filamentous phage infection: crystal structure of g3p in complex with its coreceptor, the C-terminal domain of TolA.
Structure Fold.Des., 7, 1999
5LC7
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BU of 5lc7 by Molmil
Crystal structure of a single chain monellin mutant: E23Q/Q28K/C41S/Y65R-MNEI
分子名称: Monellin chain B,Monellin chain A
著者Pica, A, Merlino, A.
登録日2016-06-19
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Sweeter and stronger: enhancing sweetness and stability of the single chain monellin MNEI through molecular design.
Sci Rep, 6, 2016
4HPS
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BU of 4hps by Molmil
Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
分子名称: CHLORIDE ION, Pyrrolidone-carboxylate peptidase
著者Ghosh, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-10-24
公開日2012-11-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of a Pyrrolidone-carboxylate peptidase 1 (target ID NYSGRC-012831) from Xenorhabdus bovienii SS-2004 in space group P21
To be Published
6O97
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BU of 6o97 by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with propylamycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.75A resolution
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ...
著者Matsushita, T, Sati, G.C, Kondasinghe, N, Pirrone, M.G, Kato, T, Waduge, P, Kumar, H.S, Sanchon, A.C, Dobosz-Bartoszek, M, Shcherbakov, D, Juhas, M, Hobbie, S.N, Schrepfer, T, Chow, C.S, Polikanov, Y.S, Schacht, J, Vasella, A, Bottger, E.C, Crich, D.
登録日2019-03-13
公開日2019-04-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design, Multigram Synthesis, and in Vitro and in Vivo Evaluation of Propylamycin: A Semisynthetic 4,5-Deoxystreptamine Class Aminoglycoside for the Treatment of Drug-Resistant Enterobacteriaceae and Other Gram-Negative Pathogens.
J. Am. Chem. Soc., 141, 2019
8PDE
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BU of 8pde by Molmil
Crystal Structure of the MADS-box/MEF2 Domain of MEF2D bound to dsDNA and HDAC4 deacetylase binding motif
分子名称: DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), HDAC4 (histone deacetylase 4) binding motif peptide:GSGEVKMKLQEFVLNKK, ...
著者Chinellato, M, Carli, A, Perin, S, Mazzocato, Y, Biondi, B, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L.
登録日2023-06-12
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
6O5V
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BU of 6o5v by Molmil
Binary complex of native hAChE with oxime reactivator RS-170B
分子名称: 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-04
公開日2019-05-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.152 Å)
主引用文献Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.
J.Biol.Chem., 294, 2019
4HHP
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BU of 4hhp by Molmil
Crystal structure of triosephosphate isomerase from trypanosoma cruzi, mutant e105d
分子名称: GLYCEROL, SULFATE ION, Triosephosphate isomerase, ...
著者Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T.
登録日2012-10-10
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Different contribution of conserved amino acids to the global properties of triosephosphate isomerases.
Proteins, 82, 2014
5LSG
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BU of 5lsg by Molmil
PPARgamma complex with the betulinic acid
分子名称: Betulinic Acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Calleri, E, Paiardini, A.
登録日2016-08-26
公開日2017-08-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Betulinic acid is a PPAR gamma antagonist that improves glucose uptake, promotes osteogenesis and inhibits adipogenesis.
Sci Rep, 7, 2017
1U7M
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BU of 1u7m by Molmil
Solution structure of a diiron protein model: Due Ferri(II) turn mutant
分子名称: Four-helix bundle model, ZINC ION
著者Maglio, O, Nastri, F, Calhoun, J.R, Lahr, S, Pavone, V, DeGrado, W.F, Lombardi, A.
登録日2004-08-04
公開日2005-03-01
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Analysis and Design of Turns in alpha-Helical Hairpins
J.Mol.Biol., 346, 2005
6WP0
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BU of 6wp0 by Molmil
The Crystal Structure of Domain-Swapped Trimer Q108K:T51D variant of HCRBPII
分子名称: ACETATE ION, GLYCEROL, Retinol-binding protein 2
著者Ghanbarpour, A, Geiger, J.
登録日2020-04-26
公開日2020-08-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Human Cellular Retinol Binding Protein II Forms a Domain-Swapped Trimer Representing a Novel Fold and a New Template for Protein Engineering.
Chembiochem, 21, 2020
1GHJ
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BU of 1ghj by Molmil
SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM AZOTOBACTER VINELAND II, NMR, MINIMIZED AVERAGE STRUCTURE
分子名称: E2, THE DIHYDROLIPOAMIDE SUCCINYLTRANSFERASE COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX
著者Berg, A, Vervoort, J, De Kok, A.
登録日1996-01-16
公開日1997-01-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the lipoyl domain of the 2-oxoglutarate dehydrogenase complex from Azotobacter vinelandii.
J.Mol.Biol., 261, 1996
2WW5
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BU of 2ww5 by Molmil
3D-structure of the modular autolysin LytC from Streptococcus pneumoniae at 1.6 A resolution
分子名称: 1,4-BETA-N-ACETYLMURAMIDASE, CHLORIDE ION, CHOLINE ION, ...
著者Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L, Menendez, M.
登録日2009-10-21
公開日2010-04-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
6ZJU
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BU of 6zju by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with saccharose
分子名称: ACETATE ION, Beta-galactosidase, MALONATE ION, ...
著者Rutkiewicz, M, Bujacz, A, Bujacz, G.
登録日2020-06-29
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
6O81
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BU of 6o81 by Molmil
Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to translation initiation factor 2 from Homo sapiens
分子名称: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Nguyen, H, Kenner, L, Frost, A.
登録日2019-03-08
公開日2019-05-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
6OC8
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BU of 6oc8 by Molmil
Crystal structure of a VHH against the capsid protein from BLV
分子名称: GLYCEROL, SULFATE ION, VHH8c
著者Carrion, F, Larrieux, N, Trajtenberg, F, Buschiazzo, A.
登録日2019-03-22
公開日2020-03-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.109 Å)
主引用文献BLV capsid self-assembly inhibition by heavy chain antibodies
To be Published
6OCJ
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BU of 6ocj by Molmil
Crystal Structure of Equine Serum Albumin in Complex with Suprofen
分子名称: (2S)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid, ACETATE ION, MALONATE ION, ...
著者Sekula, B, Zielinski, K, Bujacz, A, Bujacz, G.
登録日2019-03-24
公開日2020-01-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural investigations of stereoselective profen binding by equine and leporine serum albumins.
Chirality, 32, 2020
1KGM
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BU of 1kgm by Molmil
SOLUTION STRUCTURE OF THE SMALL SERINE PROTEASE INHIBITOR SGCI
分子名称: SERINE PROTEASE INHIBITOR I
著者Gaspari, Z, Patthy, A, Graf, L, Perczel, A.
登録日2001-11-28
公開日2001-12-12
最終更新日2022-02-23
実験手法SOLUTION NMR
主引用文献Comparative structure analysis of proteinase inhibitors from the desert locust, Schistocerca gregaria.
Eur.J.Biochem., 269, 2002
5LL6
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BU of 5ll6 by Molmil
Structure of the 40S ABCE1 post-splitting complex in ribosome recycling and translation initiation
分子名称: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
著者Heuer, A, Gerovac, M, Schmidt, C, Trowitzsch, S, Preis, A, Koetter, P, Berninghausen, O, Becker, T, Beckmann, R, Tampe, R.
登録日2016-07-26
公開日2017-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the 40S-ABCE1 post-splitting complex in ribosome recycling and translation initiation.
Nat. Struct. Mol. Biol., 24, 2017
5LCE
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BU of 5lce by Molmil
Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-06-21
公開日2017-07-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
1UF9
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BU of 1uf9 by Molmil
Crystal structure of TT1252 from Thermus thermophilus
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, TT1252 protein
著者Seto, A, Murayama, K, Toyama, M, Ebihara, A, Nakagawa, N, Kuramitsu, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2003-05-28
公開日2003-11-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献ATP-induced structural change of dephosphocoenzyme A kinase from Thermus thermophilus HB8
PROTEINS, 58, 2005
7LG7
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BU of 7lg7 by Molmil
Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345
分子名称: 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide, Non-structural protein 3, SULFATE ION
著者Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A.
登録日2021-01-19
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
5LPD
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BU of 5lpd by Molmil
Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide
分子名称: (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-08-12
公開日2017-07-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
6YVP
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BU of 6yvp by Molmil
Human histidine triad nucleotide-binding protein 2 (hHINT2) complexed with dGMP and refined to 2.77 A
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 2, mitochondrial
著者Dolot, R.D, Krakowiak, A, Nawrot, B.C.
登録日2020-04-28
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A.
Biochim Biophys Acta Gen Subj, 1865, 2021
7LH9
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BU of 7lh9 by Molmil
Crystal structure of BRPF2 PWWP domain in complex with DNA
分子名称: Bromodomain-containing protein 1, DNA
著者Zhang, M, Lei, M, Qin, S, Dong, A, Yang, A, Li, Y, Loppnau, P, Hughes, T.R, Arrowsmith, C.H, Edwards, A.M, Min, J, Liu, J, Structural Genomics Consortium (SGC)
登録日2021-01-21
公開日2021-02-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the BRPF2 PWWP domain in complex with DNA reveals a different binding mode than the HDGF family of PWWP domains.
Biochim Biophys Acta Gene Regul Mech, 1864, 2021
7QVE
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BU of 7qve by Molmil
Spinach 20S proteasome
分子名称: Proteasome subunit alpha type, Proteasome subunit alpha type-3, Proteasome subunit beta, ...
著者Kandolf, S, Grishkovskaya, I, Meinhart, A, Haselbach, D.
登録日2022-01-21
公開日2022-05-25
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of the plant 26S proteasome.
Plant Commun., 3, 2022

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