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4CVI
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Neutron Structure of Ferric Cytochrome c Peroxidase - Deuterium exchanged at room temperature
分子名称: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL, PROTOPORPHYRIN IX CONTAINING FE
著者Casadei, C.M, Gumiero, A, Blakeley, M.P, Ostermann, A, Raven, E.L, Moody, P.C.E.
登録日2014-03-27
公開日2014-07-16
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.1 Å), X-RAY DIFFRACTION
主引用文献Neutron Cryo-Crystallography Captures the Protonation State of Ferryl Heme in a Peroxidase
Science, 345, 2014
6I4F
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BU of 6i4f by Molmil
Crystal Structure of Plasmodium falciparum actin I (A272W mutant) in the Mg-K-ATP/ADP state
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
3DL6
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BU of 3dl6 by Molmil
Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis
分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ...
著者Martucci, W.E, Vargo, M.A, Anderson, K.S.
登録日2008-06-26
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase.
Biochemistry, 47, 2008
3NL3
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BU of 3nl3 by Molmil
The Crystal Structure of Candida glabrata THI6, a Bifunctional Enzyme involved in Thiamin Biosyhthesis of Eukaryotes
分子名称: MAGNESIUM ION, THIAMIN PHOSPHATE, Thiamine biosynthetic bifunctional enzyme
著者Paul, D, Chatterjee, A, Begley, T.P, Ealick, S.E.
登録日2010-06-21
公開日2010-11-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.007 Å)
主引用文献Domain Organization in Candida glabrata THI6, a Bifunctional Enzyme Required for Thiamin Biosynthesis in Eukaryotes .
Biochemistry, 49, 2010
6ICJ
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BU of 6icj by Molmil
Crystal structure of PPARgamma with compound BR102375K
分子名称: 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one, GLYCEROL, Nuclear receptor coactivator 1, ...
著者Hong, E, Chin, J, Jang, T.H, Kim, K.H, Jung, W, Kim, S.H.
登録日2018-09-06
公開日2019-09-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.483 Å)
主引用文献Crystal structure of PPARgamma with compound BR102375K
To Be Published
8DYD
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BU of 8dyd by Molmil
Crystal structure of human SDHA-SDHAF2-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
8DYE
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BU of 8dye by Molmil
Crystal structure of human SDHA-SDHAF4 assembly intermediate
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Sharma, P, Maklashina, E, Cecchini, G, Iverson, T.M.
登録日2022-08-04
公開日2024-01-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Disordered-to-ordered transitions in assembly factors allow the complex II catalytic subunit to switch binding partners.
Nat Commun, 15, 2024
6EEH
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BU of 6eeh by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
分子名称: Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION
著者Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
登録日2018-08-14
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.629 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
4MZ9
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BU of 4mz9 by Molmil
Revised structure of E. coli SSB
分子名称: Single-stranded DNA-binding protein
著者Oakley, A.J.
登録日2013-09-29
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Intramolecular binding mode of the C-terminus of Escherichia coli single-stranded DNA binding protein determined by nuclear magnetic resonance spectroscopy.
Nucleic Acids Res., 42, 2014
6WGM
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BU of 6wgm by Molmil
Crystal structure of a marine metagenome TRAP solute binding protein specific for pyroglutamate (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, scf7180008839099) in complex with co-purified pyroglutamate
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
著者Fedorov, E, Vetting, M.W, Hogle, S.L, Dupont, C.L, Almo, S.C, Ghosh, A.
登録日2020-04-05
公開日2020-04-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of a marine metagenome TRAP solute binding protein specific for aromatic acid ligands (Sorcerer II Global Ocean Sampling Expedition, unidentified microbe, GOS_140), in complex with co-purified pyroglutamate
To Be Published
1KRA
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BU of 1kra by Molmil
CRYSTAL STRUCTURE OF KLEBSIELLA AEROGENES UREASE, ITS APOENZYME AND TWO ACTIVE SITE MUTANTS
分子名称: UREASE
著者Jabri, E, Karplus, P.A.
登録日1995-06-20
公開日1995-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the Klebsiella aerogenes urease apoenzyme and two active-site mutants.
Biochemistry, 35, 1996
1KRC
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BU of 1krc by Molmil
CRYSTAL STRUCTURE OF KLEBSIELLA AEROGENES UREASE, ITS APOENZYME AND TWO ACTIVE SITE MUTANTS
分子名称: CARBON DIOXIDE, NICKEL (II) ION, UREASE
著者Jabri, E, Karplus, P.A.
登録日1995-06-20
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the Klebsiella aerogenes urease apoenzyme and two active-site mutants.
Biochemistry, 35, 1996
1KRB
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BU of 1krb by Molmil
CRYSTAL STRUCTURE OF KLEBSIELLA AEROGENES UREASE, ITS APOENZYME AND TWO ACTIVE SITE MUTANTS
分子名称: NICKEL (II) ION, UREASE
著者Jabri, E, Karplus, P.A.
登録日1995-06-20
公開日1995-10-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the Klebsiella aerogenes urease apoenzyme and two active-site mutants.
Biochemistry, 35, 1996
6I4D
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BU of 6i4d by Molmil
Crystal Structure of Plasmodium falciparum actin I in the Mg-K-ATP/ADP state
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Kumpula, E.-P, Lopez, A.J, Tajedin, L, Han, H, Kursula, I.
登録日2018-11-09
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic view into Plasmodium actin polymerization, ATP hydrolysis, and fragmentation.
Plos Biol., 17, 2019
6I53
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BU of 6i53 by Molmil
Cryo-EM structure of the human synaptic alpha1-beta3-gamma2 GABAA receptor in complex with Megabody38 in a lipid nanodisc
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ...
著者Laverty, D, Desai, R, Uchanski, T, Masiulis, S, Wojciech, J.S, Malinauskas, T, Zivanov, J, Pardon, E, Steyaert, J, Miller, K.W, Aricescu, A.R.
登録日2018-11-12
公開日2019-01-02
最終更新日2022-03-30
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the human alpha 1 beta 3 gamma 2 GABAAreceptor in a lipid bilayer.
Nature, 565, 2019
6I5T
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BU of 6i5t by Molmil
Cryo-EM informed directed evolution of Nitrilase 4 leads to a change in quaternary structure.
分子名称: Bifunctional nitrilase/nitrile hydratase NIT4
著者Mulelu, A.E, Woodward, J.D.
登録日2018-11-14
公開日2019-11-20
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM informed directed evolution of nitrilase 4 leads to a change in quaternary structure.
To Be Published
1DT6
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BU of 1dt6 by Molmil
STRUCTURE OF MAMMALIAN CYTOCHROME P450 2C5
分子名称: CYTOCHROME P450 2C5, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ...
著者Williams, P.A, Cosme, J, Sridhar, V, Johnson, E.F, McRee, D.E.
登録日2000-01-11
公開日2000-09-27
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mammalian microsomal cytochrome P450 monooxygenase: structural adaptations for membrane binding and functional diversity.
Mol.Cell, 5, 2000
6WVM
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BU of 6wvm by Molmil
High curvature lateral interaction within a 13-protofilament, Taxol stabilized microtubule
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Debs, G.E, Cha, M, Huehn, A.R, Sindelar, C.V.
登録日2020-05-06
公開日2020-05-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Dynamic and asymmetric fluctuations in the microtubule wall captured by high-resolution cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 117, 2020
2WKE
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BU of 2wke by Molmil
Crystal structure of the Actinomadura R39 DD-peptidase inhibited by 6- beta-iodopenicillanate.
分子名称: (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid, COBALT (II) ION, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, ...
著者Sauvage, E, Herman, R, Kerff, F, Charlier, P.
登録日2009-06-10
公開日2009-12-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of the Inhibition of Class a Beta-Lactamases and Penicillin-Binding Proteins by 6-Beta-Iodopenicillanate.
J.Am.Chem.Soc., 131, 2009
6FXM
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BU of 6fxm by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Mn2+
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
登録日2018-03-09
公開日2018-08-22
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
6G7I
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BU of 6g7i by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 49-406 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018
1DWW
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BU of 1dww by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin
分子名称: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
著者Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
登録日1999-12-14
公開日2000-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
6G94
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BU of 6g94 by Molmil
Structure of E. coli hydrogenase-1 C19G variant in complex with cytochrome b
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ...
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2018-04-10
公開日2018-06-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献X-ray structural, functional and computational studies of the O2-sensitive E. coli hydrogenase-1 C19G variant reveal an unusual [4Fe-4S] cluster.
Chem. Commun. (Camb.), 54, 2018
2Z6K
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BU of 2z6k by Molmil
Crystal structure of full-length human RPA14/32 heterodimer
分子名称: Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit
著者Deng, X, Habel, J.E, Kabaleeswaran, V, Borgstahl, G.E.
登録日2007-08-03
公開日2007-12-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Full-length Human RPA14/32 Complex Gives Insights into the Mechanism of DNA Binding and Complex Formation
J.Mol.Biol., 374, 2007
3G46
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BU of 3g46 by Molmil
Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloroform bound to the XE4 cavity
分子名称: CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E.
登録日2009-02-03
公開日2009-12-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis.
Structure, 17, 2009

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