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4ZPU
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BU of 4zpu by Molmil
The structure of DLP12 endolysin exhibits likely active and inactive conformations.
Descriptor: ACETATE ION, FORMIC ACID, Lysozyme RrrD
Authors:Kesavan, B, Arockiasamy, A, Krishnaswamy, S.
Deposit date:2015-05-08
Release date:2015-06-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The structure of DLP12 endolysin exhibits likely an active and inactive conformations.
To Be Published
2VDB
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BU of 2vdb by Molmil
Structure of human serum albumin with S-naproxen and the GA module
Descriptor: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, DECANOIC ACID, PEPTOSTREPTOCOCCAL ALBUMIN-BINDING PROTEIN, ...
Authors:Lejon, S, Cramer, J.F, Nordberg, P.A.
Deposit date:2007-10-04
Release date:2008-02-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structural Basis for the Binding of Naproxen to Human Serum Albumin in the Presence of Fatty Acids and the Ga Module.
Acta Crystallogr.,Sect.F, 64, 2008
4ZX8
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BU of 4zx8 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 9b
Descriptor: CARBONATE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-20
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6RTM
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BU of 6rtm by Molmil
Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 1-[(dimethylamino)methyl]-2-naphthol at 2 hour of soaking
Descriptor: 1-methylidenenaphthalen-2-one, FLAVIN-ADENINE DINUCLEOTIDE, POTASSIUM ION, ...
Authors:Angelucci, F, Silvestri, I, Fata, F, Williams, D.L.
Deposit date:2019-05-24
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Ectopic suicide inhibition of thioredoxin glutathione reductase.
Free Radic Biol Med, 147, 2020
2O79
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BU of 2o79 by Molmil
T4 lysozyme with C-terminal extension
Descriptor: CHLORIDE ION, GLYCEROL, Lysozyme, ...
Authors:Llinas, M, Crowder, S.M, Echols, N, Alber, T, Marqusee, S.
Deposit date:2006-12-10
Release date:2007-04-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Exploring subdomain cooperativity in T4 lysozyme I: Structural and energetic studies of a circular permutant and protein fragment.
Protein Sci., 16, 2007
2JEC
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BU of 2jec by Molmil
crystal structure of recombinant DiocleA grandiflora lectin mutant E123A-H131N-K132Q complexed witH 5-bromo-4-chloro-3-indolyl-a-D- mannose
Descriptor: 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside, CALCIUM ION, LECTIN ALPHA CHAIN, ...
Authors:Nagano, C.S, Sanz, L, Cavada, B.S, Calvete, J.J.
Deposit date:2007-01-16
Release date:2007-10-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insights Into the Structural Basis of the Ph- Dependent Dimer-Tetramer Equilibrium Through Crystallographic Analysis of Recombinant Diocleinae Lectins.
Biochem.J., 409, 2008
6H8Z
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BU of 6h8z by Molmil
T16A variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.6 A.
Descriptor: 1,2-ETHANEDIOL, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Robertson, A.J, Bisson, C, Waltho, J.P.
Deposit date:2018-08-03
Release date:2020-08-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
5WSP
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BU of 5wsp by Molmil
Crystal structure of DNA3 duplex
Descriptor: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), STRONTIUM ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
5WSR
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BU of 5wsr by Molmil
Crystal structure of T-Hg-T pair containing DNA duplex
Descriptor: DNA (5'-D(*GP*GP*TP*CP*GP*TP*CP*C)-3'), MERCURY (II) ION
Authors:Gan, J.H, Liu, H.H.
Deposit date:2016-12-08
Release date:2017-02-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
6HD5
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BU of 6hd5 by Molmil
Cryo-EM structure of the ribosome-NatA complex
Descriptor: N-alpha-acetyltransferase NAT5, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1
Authors:Knorr, A.G, Becker, T, Beckmann, R.
Deposit date:2018-08-17
Release date:2018-12-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Ribosome-NatA architecture reveals that rRNA expansion segments coordinate N-terminal acetylation.
Nat. Struct. Mol. Biol., 26, 2019
6HDF
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BU of 6hdf by Molmil
D170N variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 1.4 A.
Descriptor: 1,2-ETHANEDIOL, Beta-phosphoglucomutase, SODIUM ION
Authors:Wood, H.P, Robertson, A.J, Bisson, C, Waltho, J.P.
Deposit date:2018-08-17
Release date:2020-08-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
2O7U
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BU of 2o7u by Molmil
Crystal structure of K206E/K296E mutant of the N-terminal half molecule of human transferrin
Descriptor: CARBONATE ION, FE (III) ION, Serotransferrin
Authors:Baker, H.M, Nurizzo, D, Mason, A.B, Baker, E.N.
Deposit date:2006-12-11
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structures of two mutants that probe the role in iron release of the dilysine pair in the N-lobe of human transferrin.
Acta Crystallogr.,Sect.D, 63, 2007
7A23
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BU of 7a23 by Molmil
Plant mitochondrial respiratory complex I
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 13kDa, 15kDa, ...
Authors:Soufari, H, Waltz, F, Hashem, Y.
Deposit date:2020-08-15
Release date:2020-10-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Specific features and assembly of the plant mitochondrial complex I revealed by cryo-EM.
Nat Commun, 11, 2020
2Z2Y
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BU of 2z2y by Molmil
Crystal structure of autoprocessed form of Tk-subtilisin
Descriptor: CALCIUM ION, Tk-subtilisin, ZINC ION
Authors:Tanaka, S, Matsumura, H, Koga, Y, Takano, K, Kanaya, S.
Deposit date:2007-05-29
Release date:2007-12-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Four new crystal structures of Tk-subtilisin in unautoprocessed, autoprocessed and mature forms: insight into structural changes during maturation
J.Mol.Biol., 372, 2007
6HDH
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BU of 6hdh by Molmil
R49K variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer to 1.6 A.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-phosphoglucomutase, ...
Authors:Robertson, A.J, Bisson, C, Waltho, J.P.
Deposit date:2018-08-17
Release date:2020-08-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Transition state of phospho-enzyme hydrolysis in beta-phosphoglucomutase.
To Be Published
5AA3
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BU of 5aa3 by Molmil
Crystal structure of MltF from Pseudomonas aeruginosa in the presence of tetrasaccharide and tetrapeptide
Descriptor: GLUTAMIC ACID, MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE F
Authors:Dominguez-Gil, T, Acebron, I, Hermoso, J.A.
Deposit date:2015-07-23
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Activation by Allostery in Cell-Wall Remodeling by a Modular Membrane-Bound Lytic Transglycosylase from Pseudomonas aeruginosa.
Structure, 24, 2016
6S6W
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BU of 6s6w by Molmil
Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+
Descriptor: 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ...
Authors:Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S.
Deposit date:2019-07-03
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
7A78
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BU of 7a78 by Molmil
Crystal structure of RXR beta LBD in complexes with palmitic acid and GRIP-1 peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Nuclear receptor coactivator 2, ...
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-08-27
Release date:2020-10-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.
Int J Mol Sci, 21, 2020
2G6V
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BU of 2g6v by Molmil
The crystal structure of ribD from Escherichia coli
Descriptor: Riboflavin biosynthesis protein ribD
Authors:Stenmark, P, Moche, M, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE)
Deposit date:2006-02-25
Release date:2007-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of the Bifunctional Deaminase/Reductase RibD of the Riboflavin Biosynthetic Pathway in Escherichia coli: Implications for the Reductive Mechanism.
J.Mol.Biol., 373, 2007
5ABM
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BU of 5abm by Molmil
Sheep aldehyde dehydrogenase 1A1
Descriptor: MAGNESIUM ION, RETINAL DEHYDROGENASE 1, [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
Authors:Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A.
Deposit date:2015-08-07
Release date:2015-09-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
2NR0
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BU of 2nr0 by Molmil
Crystal structure of pseudoudirinde synthase TruA in complex with leucyl tRNA
Descriptor: leucyl tRNA, tRNA pseudouridine synthase A
Authors:Hur, S, Stroud, R.M.
Deposit date:2006-11-01
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:How U38, 39, and 40 of Many tRNAs Become the Targets for Pseudouridylation by TruA.
Mol.Cell, 26, 2007
6ZZR
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BU of 6zzr by Molmil
The Crystal Structure of human LDHA from Biortus.
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, L-lactate dehydrogenase A chain
Authors:Wang, F, Lin, D, Cheng, W, Bao, X, Zhu, B, Shang, H.
Deposit date:2020-08-05
Release date:2020-08-19
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Crystal Structure of human LDHA from Biortus
To Be Published
6S6S
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BU of 6s6s by Molmil
Structure of Azospirillum brasilense Glutamate Synthase in a4b4 oligomeric state.
Descriptor: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2019-07-03
Release date:2019-09-11
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM Structures of Azospirillum brasilense Glutamate Synthase in Its Oligomeric Assemblies.
J.Mol.Biol., 431, 2019
4ZVM
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BU of 4zvm by Molmil
Oxidized quinone reductase 2 in complex with doxorubicin
Descriptor: DOXORUBICIN, FLAVIN-ADENINE DINUCLEOTIDE, Ribosyldihydronicotinamide dehydrogenase [quinone], ...
Authors:Leung, K.K, Shilton, B.H.
Deposit date:2015-05-18
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.973 Å)
Cite:Binding of DNA-Intercalating Agents to Oxidized and Reduced Quinone Reductase 2.
Biochemistry, 54, 2015
4ZW7
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BU of 4zw7 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9m
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

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