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5NBK
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BU of 5nbk by Molmil
NDM-1 metallo-beta-lactamase: a parsimonious interpretation of the diffraction data
分子名称: CHLORIDE ION, HEXAETHYLENE GLYCOL, Metallo-beta-lactamase type 2, ...
著者Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A.
登録日2017-03-02
公開日2018-10-03
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A close look onto structural models and primary ligands of metallo-beta-lactamases.
Drug Resist. Updat., 40, 2018
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
5EU3
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BU of 5eu3 by Molmil
HLA Class I antigen
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ...
著者Rizkallah, P.J, Bianchi, V, Cole, D.K, Sewell, A.K.
登録日2015-11-18
公開日2016-03-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A Molecular Switch Abrogates Glycoprotein 100 (gp100) T-cell Receptor (TCR) Targeting of a Human Melanoma Antigen.
J.Biol.Chem., 291, 2016
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
分子名称: CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.536 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
197D
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BU of 197d by Molmil
ORTHORHOMBIC CRYSTAL STRUCTURE OF THE A-DNA OCTAMER D(GTACGTAC). COMPARISON WITH THE TETRAGONAL STRUCTURE
分子名称: DNA (5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3')
著者Langlois D'Estaintot, B, Dautant, A, Courseille, C, Precigoux, G.
登録日1994-11-24
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Orthorhombic crystal structure of the A-DNA octamer d(GTACGTAC). Comparison with the tetragonal structure.
Eur.J.Biochem., 213, 1993
1A5Q
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BU of 1a5q by Molmil
P93A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A
分子名称: RIBONUCLEASE A, SULFATE ION
著者Pearson, M.A, Karplus, P.A, Dodge, R.W, Laity, J.H, Scheraga, H.A.
登録日1998-02-17
公開日1998-05-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of two mutants that have implications for the folding of bovine pancreatic ribonuclease A.
Protein Sci., 7, 1998
5I2V
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BU of 5i2v by Molmil
NMR structure of a new G-quadruplex forming sequence within the KRAS proto-oncogene promoter region
分子名称: DNA (5'-D(*AP*GP*GP*GP*CP*GP*GP*TP*GP*TP*GP*GP*GP*AP*AP*TP*AP*GP*GP*GP*AP*A)-3'), POTASSIUM ION
著者Salgado, G.F, Kerkour, A, Mergny, J.-L.
登録日2016-02-09
公開日2016-03-16
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献High-resolution three-dimensional NMR structure of the KRAS proto-oncogene promoter reveals key features of a G-quadruplex involved in transcriptional regulation.
J. Biol. Chem., 292, 2017
5OUZ
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BU of 5ouz by Molmil
Metal free structure of Y40F SynFtn
分子名称: Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2017-08-25
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.081 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
7UKP
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BU of 7ukp by Molmil
Integrin alpha IIB beta3 complex with a gantofiban analog
分子名称: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
登録日2022-04-01
公開日2022-08-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.80112982 Å)
主引用文献A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
5EYC
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BU of 5eyc by Molmil
Crystal structure of c-Met in complex with naphthyridinone inhibitor 5
分子名称: 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-11-24
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
6SEG
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BU of 6seg by Molmil
Class1: CENP-A nucleosome in complex with CENP-C central region
分子名称: DNA (145-MER), Histone H2A type 2-A, Histone H2B type 1-C/E/F/G/I, ...
著者Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
登録日2019-07-30
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
5ZZC
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BU of 5zzc by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94A resolution
分子名称: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
著者Gupta, A, Singh, P.K, Kaur, P, Sharma, S, Singh, T.P.
登録日2018-05-31
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 1.94 A resolution
To Be Published
6SE0
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BU of 6se0 by Molmil
Class 1 : CENP-A nucleosome
分子名称: DNA (145-MER), Histone H2A type 2-A, Histone H2B type 1-C/E/F/G/I, ...
著者Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
登録日2019-07-29
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
9GXA
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BU of 9gxa by Molmil
CENP-A/H4 di-tetrasome assembled on alpha-satellite DNA.
分子名称: 147 bp alpha-satellite DNA, 147 bp human alpha-satellite DNA, Histone H3-like centromeric protein A, ...
著者Ali-Ahmad, A, Sekulic, N.
登録日2024-09-29
公開日2025-01-29
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (4.01 Å)
主引用文献Non-nucleosomal (CENP-A/H4) 2 - DNA complexes as a possible platform for centromere organization.
Biorxiv, 2025
5OUW
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BU of 5ouw by Molmil
Metal free structure of SynFtn
分子名称: Ferritin
著者Hemmings, A.M, Bradley, J.M.
登録日2017-08-25
公開日2019-01-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6A75
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BU of 6a75 by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
分子名称: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
著者Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2018-07-02
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.75 A resolution
To Be Published
1AHL
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BU of 1ahl by Molmil
ANTHOPLEURIN-A,NMR, 20 STRUCTURES
分子名称: ANTHOPLEURIN-A
著者Pallaghy, P.K, Scanlon, M.J, Monks, S.A, Norton, R.S.
登録日1994-10-28
公開日1995-11-14
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Three-dimensional structure in solution of the polypeptide cardiac stimulant anthopleurin-A.
Biochemistry, 34, 1995
6SE6
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BU of 6se6 by Molmil
Class2 : CENP-A nucleosome in complex with CENP-C central region
分子名称: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
著者Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
登録日2019-07-29
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019
5EYD
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BU of 5eyd by Molmil
Crystal structure of c-Met in complex with AMG 337
分子名称: 6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-11-24
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
6A7D
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BU of 6a7d by Molmil
Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution
分子名称: CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ...
著者Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2018-07-02
公開日2018-07-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution
To Be Published
1A5P
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BU of 1a5p by Molmil
C[40,95]A VARIANT OF BOVINE PANCREATIC RIBONUCLEASE A
分子名称: RIBONUCLEASE A, SULFATE ION
著者Pearson, M.A, Karplus, P.A, Dodge, R.W, Laity, J.H, Scheraga, H.A.
登録日1998-02-17
公開日1998-05-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of two mutants that have implications for the folding of bovine pancreatic ribonuclease A.
Protein Sci., 7, 1998
5FB6
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BU of 5fb6 by Molmil
Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering
分子名称: Insulin Chain A, Insulin Chain B
著者Roedig, P, Duman, R, Sanchez-Weatherby, J, Vartiainen, I, Burkhardt, A, Warmer, M, David, C, Wagner, A, Meents, A.
登録日2015-12-14
公開日2016-06-15
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Room-temperature macromolecular crystallography using a micro-patterned silicon chip with minimal background scattering.
J.Appl.Crystallogr., 49, 2016
4F3C
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BU of 4f3c by Molmil
Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
分子名称: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase
著者Haapalainen, A.M, Thomas, K, Bonanno, J.B, Almo, S.C, Schramm, V.L.
登録日2012-05-09
公開日2013-05-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from Salmonella enterica with butyl-thio-DADMe-Immucillin-A
Structure, 21, 2013
4RAT
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BU of 4rat by Molmil
EFFECTS OF TEMPERATURE ON PROTEIN STRUCTURE AND DYNAMICS: X-RAY CRYSTALLOGRAPHIC STUDIES OF THE PROTEIN RIBONUCLEASE-A AT NINE DIFFERENT TEMPERATURES FROM 98 TO 320 K
分子名称: RIBONUCLEASE A
著者Tiltonjunior, R.F, Dewan, J.C, Petsko, G.A.
登録日1991-08-13
公開日1993-07-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Effects of temperature on protein structure and dynamics: X-ray crystallographic studies of the protein ribonuclease-A at nine different temperatures from 98 to 320 K.
Biochemistry, 31, 1992
6SEE
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BU of 6see by Molmil
Class2A : CENP-A nucleosome in complex with CENP-C central region
分子名称: Centromere protein C, DNA (145-MER), Histone H2A type 2-A, ...
著者Ali-Ahmad, A, Bilokapic, S, Schafer, I.B, Halic, M, Sekulic, N.
登録日2019-07-29
公開日2019-08-14
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CENP-C unwraps the human CENP-A nucleosome through the H2A C-terminal tail.
Embo Rep., 20, 2019

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