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6DCF
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BU of 6dcf by Molmil
Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A
分子名称: 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ...
著者Lilic, M, Darst, S.A, Campbell, E.A.
登録日2018-05-06
公開日2018-09-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism.
Nat Commun, 9, 2018
1NMD
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BU of 1nmd by Molmil
Crystal Structure of D. Discoideum Actin-Gelsolin Segment 1 Complex Crystallized In Presence Of Lithium ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin, CALCIUM ION, ...
著者Vorobiev, S.M, Welti, S, Condeelis, J, Almo, S.C.
登録日2003-01-09
公開日2003-02-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Structure Of The Non-Vertebrate Actin: Implications For The ATP Hydrolytic Mechanism
Proc.Natl.Acad.Sci.USA, 100, 2003
6KXZ
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BU of 6kxz by Molmil
HUMAN PARALLEL STRANDED 7-MER G-QUADRUPLEX COMPLEXED WITH 2 EPIRUBICIN (EPI) MOLECULES
分子名称: 4'-EPIDOXORUBICIN, [TTAGGGT]4-EPI-Complex
著者Barthwal, R, Raje, S, Pandav, K.
登録日2019-09-15
公開日2020-09-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for stabilization of human telomeric G-quadruplex [d-(TTAGGGT)] 4 by anticancer drug epirubicin.
Bioorg.Med.Chem., 28, 2020
8W68
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BU of 8w68 by Molmil
Crystal structure of Q9PR55 at pH 6.0 (use NMR model)
分子名称: Uncharacterized protein UU089.1
著者Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D.
登録日2023-08-28
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
3IPH
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BU of 3iph by Molmil
Crystal structure of p38 in complex with a biphenylamide inhibitor
分子名称: 6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide, GLYCEROL, Mitogen-activated protein kinase 14, ...
著者Somers, D.O.
登録日2009-08-17
公開日2009-11-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.
J.Med.Chem., 52, 2009
4LN7
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BU of 4ln7 by Molmil
5,6-bis(4-fluorophenyl)-3-hydroxy-2,5-dihydropyridin-2-one bound to influenza 2009 pH1N1 endonuclease
分子名称: 1,2-ETHANEDIOL, 5,6-bis(4-fluorophenyl)pyridine-2,3-diol, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Das, K, Arnold, E.
登録日2013-07-11
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.
Acs Chem.Biol., 8, 2013
7ECF
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BU of 7ecf by Molmil
Crystal Structure of d(G4C2)2-Ba in C2221 space group
分子名称: BARIUM ION, DNA (5'-D(*GP*GP*GP*GP*CP*CP*GP*GP*GP*GP*CP*C)-3')
著者Geng, Y, Liu, C, Cai, Q, Luo, Z, Zhu, G.
登録日2021-03-12
公開日2021-06-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of parallel G-quadruplex formed by the two-repeat ALS- and FTD-related GGGGCC sequence.
Nucleic Acids Res., 49, 2021
1KKQ
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BU of 1kkq by Molmil
Crystal structure of the human PPAR-alpha ligand-binding domain in complex with an antagonist GW6471 and a SMRT corepressor motif
分子名称: N-((2S)-2-({(1Z)-1-METHYL-3-OXO-3-[4-(TRIFLUOROMETHYL) PHENYL]PROP-1-ENYL}AMINO)-3-{4-[2-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL)PROPANAMIDE, NUCLEAR RECEPTOR CO-REPRESSOR 2, PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR
著者Xu, H.E, Stanley, T.B, Montana, V.G, Lambert, M.H, Shearer, B.G, Cobb, J.E, McKee, D.D, Galardi, C.M, Nolte, R.T, Parks, D.J.
登録日2001-12-10
公開日2002-02-20
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis for antagonist-mediated recruitment of nuclear co-repressors by PPARalpha.
Nature, 415, 2002
3RD4
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BU of 3rd4 by Molmil
Crystal structure of PROPEN_03304 from Proteus penneri ATCC 35198 Northeast Structural Genomics Consortium target id PvR55
分子名称: uncharacterized protein
著者Seetharaman, J, Min, S, Kuzin, A, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2011-03-31
公開日2011-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of PROPEN_03304 from Proteus penneri ATCC 35198 Northeast Structural Genomics Consortium target id PvR55
To be Published
1S49
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BU of 1s49 by Molmil
Crystal Structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from bovine viral diarrhea virus complexed with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase
著者Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G.
登録日2004-01-15
公開日2004-04-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation.
Proc.Natl.Acad.Sci.Usa, 101, 2004
1NOH
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BU of 1noh by Molmil
The structure of bacteriophage phi29 scaffolding protein gp7 after prohead assembly
分子名称: HEAD MORPHOGENESIS PROTEIN
著者Morais, M.C, Kanamaru, S, Badasso, M.O, Koti, J.S, Owen, B.L, McMurray, C.T, L Anderson, D, Rossmann, M.G.
登録日2003-01-16
公開日2003-07-01
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Bacteriophage f29 scaffolding protein gp7 before and after prohead assembly
Nat.Struct.Biol., 10, 2003
8KFV
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BU of 8kfv by Molmil
Crystal structure of ZmMOC1 K229A in complex with a nicked Holliday junction soaked in Mn2+ for 180 seconds
分子名称: 1,2-ETHANEDIOL, DNA (25-MER), DNA (33-MER), ...
著者Zhang, D, Luo, Z, Lin, Z.
登録日2023-08-16
公開日2024-06-26
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献MOC1 cleaves Holliday junctions through a cooperative nick and counter-nick mechanism mediated by metal ions.
Nat Commun, 15, 2024
2NVF
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BU of 2nvf by Molmil
Soluble domain of Rieske Iron-Sulfur protein.
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-12
公開日2007-02-06
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
7JJM
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BU of 7jjm by Molmil
Crystal structure of Importin alpha 2 in complex with LSD1 NLS
分子名称: CHLORIDE ION, Importin subunit alpha-1, Lysine-specific histone demethylase 1A
著者Tu, W.J, McGuaig, R, Tan, H.Y.A, Hardy, C, Seddiki, N, Ali, S, Dahlstrom, J.E, Bean, E.G, Dunn, J, Forwood, J.K, Tsimbalyuk, S, Smith, K.M, Yip, D, Malik, L, Prasana, T, Milburn, P, Rao, S.
登録日2020-07-27
公開日2020-08-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Targeting Nuclear LSD1 to Reprogram Cancer Cells and Reinvigorate Exhausted T Cells via a Novel LSD1-EOMES Switch.
Front Immunol, 11, 2020
2NWF
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BU of 2nwf by Molmil
Soluble domain of Rieske Iron Sulfur Protein
分子名称: FE2/S2 (INORGANIC) CLUSTER, GLYCEROL, Ubiquinol-cytochrome c reductase iron-sulfur subunit
著者Kolling, D, Brunzelle, J.S, Lhee, S, Crofts, A.R, Nair, S.K.
登録日2006-11-14
公開日2007-04-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic resolution structures of rieske iron-sulfur protein: role of hydrogen bonds in tuning the redox potential of iron-sulfur clusters.
Structure, 15, 2007
4BEW
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BU of 4bew by Molmil
SERCA bound to phosphate analogue
分子名称: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, ACETATE ION, MAGNESIUM ION, ...
著者Drachmann, N.D, Mattle, D, Laursen, M, Bublitz, M, Olesen, C, Moeller, J.V, Nissen, P, Morth, J.P.
登録日2013-03-12
公開日2014-02-19
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Serca Bound to Phosphate Analogue
To be Published
4HR7
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BU of 4hr7 by Molmil
Crystal Structure of Biotin Carboxyl Carrier Protein-Biotin Carboxylase Complex from E.coli
分子名称: 1,2-ETHANEDIOL, Biotin carboxyl carrier protein of acetyl-CoA carboxylase, Biotin carboxylase, ...
著者Broussard, T.C, Kobe, M.J, Pakhomova, S, Neau, D.B, Price, A.E, Champion, T.S, Waldrop, G.L.
登録日2012-10-26
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献The three-dimensional structure of the biotin carboxylase-biotin carboxyl carrier protein complex of E. coli acetyl-CoA carboxylase.
Structure, 21, 2013
2Q50
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BU of 2q50 by Molmil
Ensemble refinement of the protein crystal structure of a glyoxylate/hydroxypyruvate reductase from Homo sapiens
分子名称: Glyoxylate reductase/hydroxypyruvate reductase
著者Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG)
登録日2007-05-31
公開日2007-06-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
2HU0
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BU of 2hu0 by Molmil
N1 neuraminidase in complex with oseltamivir 1
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase
著者Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J.
登録日2006-07-26
公開日2006-09-05
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
1S4B
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BU of 1s4b by Molmil
Crystal structure of human thimet oligopeptidase.
分子名称: Thimet oligopeptidase, ZINC ION
著者Ray, K, Hines, C.S, Coll-Rodriguez, J, Rodgers, D.W.
登録日2004-01-15
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of human thimet oligopeptidase provides insight into substrate recognition, regulation, and localization
J.Biol.Chem., 279, 2004
5WL3
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BU of 5wl3 by Molmil
Crystal structure of chalcone isomerase engineered from ancestral inference (ancR2)
分子名称: CHLORIDE ION, Engineered Chalcone Isomerase ancR2
著者Burke, J.R, Kaltenbach, M, Tawfik, D.S, Noel, J.P.
登録日2017-07-25
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Evolution of chalcone isomerase from a noncatalytic ancestor.
Nat. Chem. Biol., 14, 2018
6RJN
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BU of 6rjn by Molmil
Crystal structure of a Fungal Catalase at 2.3 Angstroms
分子名称: CHLORIDE ION, Catalase, DI(HYDROXYETHYL)ETHER, ...
著者Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C.
登録日2019-04-28
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.
Free Radic. Biol. Med., 141, 2019
4CLH
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BU of 4clh by Molmil
Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor
分子名称: 4-thiomorpholino-7H-pyrrolo[2,3-d]pyrimidin-2-amine, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Barrack, K.L, Hunter, W.N.
登録日2014-01-14
公開日2015-01-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
1S48
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BU of 1s48 by Molmil
Crystal structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from BVDV
分子名称: RNA-dependent RNA polymerase
著者Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G.
登録日2004-01-15
公開日2004-04-06
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation.
Proc.Natl.Acad.Sci.Usa, 101, 2004
2PHK
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BU of 2phk by Molmil
THE CRYSTAL STRUCTURE OF A PHOSPHORYLASE KINASE PEPTIDE SUBSTRATE COMPLEX: KINASE SUBSTRATE RECOGNITION
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Lowe, E.D, Noble, M.E.M, Skamnaki, V.T, Oikonomakos, N.G, Owen, D.J, Johnson, L.N.
登録日1998-06-18
公開日1999-01-13
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The crystal structure of a phosphorylase kinase peptide substrate complex: kinase substrate recognition.
EMBO J., 16, 1997

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