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1G78
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BU of 1g78 by Molmil
X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH PYRIDOXAL 5'-PHOSPHATE AT 2.0 A RESOLUTION
Descriptor: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Safo, M.K, Musayev, F.N, di Salvo, M.L, Schirch, V.
Deposit date:2000-11-09
Release date:2000-11-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with pyridoxal 5'-phosphate at 2.0 A resolution.
J.Mol.Biol., 310, 2001
6H12
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Crystal structure of TcACHE complexed to 1-(6-Oxo-1,2,3,4,6,10b-hexahydropyrido[2,1-a]isoindol-10-yl)-3-(4-(((1-(2-((1,2,3,4-tetrahydroacridin-9-yl)amino)ethyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)pyridin-2-yl)urea
Descriptor: 1,2-ETHANEDIOL, 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Coquelle, N, Colletier, J.P.
Deposit date:2018-07-10
Release date:2019-05-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design, biological evaluation and X-ray crystallography of nanomolar multifunctional ligands targeting simultaneously acetylcholinesterase and glycogen synthase kinase-3.
Eur.J.Med.Chem., 168, 2019
2AS4
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cytochrome c peroxidase in complex with 3-fluorocatechol
Descriptor: 3-FLUOROBENZENE-1,2-DIOL, Cytochrome c peroxidase, mitochondrial, ...
Authors:Brenk, R, Vetter, S.W, Boyce, S.E, Goodin, D.B, Shoichet, B.K.
Deposit date:2005-08-22
Release date:2006-04-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Probing molecular docking in a charged model binding site.
J.Mol.Biol., 357, 2006
3IYZ
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BU of 3iyz by Molmil
Structure of Aquaporin-4 S180D mutant at 10.0 A resolution from electron micrograph
Descriptor: Aquaporin-4
Authors:Mitsuma, T, Tani, K, Hiroaki, Y, Kamegawa, A, Suzuki, H, Hibino, H, Kurachi, Y, Fujiyoshi, Y.
Deposit date:2010-07-24
Release date:2010-08-25
Last modified:2023-09-06
Method:ELECTRON CRYSTALLOGRAPHY (10 Å)
Cite:Influence of the cytoplasmic domains of aquaporin-4 on water conduction and array formation.
J.Mol.Biol., 402, 2010
5A2H
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BU of 5a2h by Molmil
Crystal Structure of Arabidopsis thaliana Calmodulin-7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Kumar, S, Gourinath, S.
Deposit date:2015-05-19
Release date:2016-03-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structure of Arabidopsis Thaliana Calmodulin7 and Insight Into its Mode of DNA Binding.
FEBS Lett., 590, 2016
4K78
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CFTR Associated Ligand (CAL) E317A PDZ domain bound to peptide iCAL36-QDTRL (ANSRWQDTRL)
Descriptor: Golgi-associated PDZ and coiled-coil motif-containing protein, iCAL36-QDTRL peptide
Authors:Amacher, J.F, Madden, D.R.
Deposit date:2013-04-16
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Stereochemical Preferences Modulate Affinity and Selectivity among Five PDZ Domains that Bind CFTR: Comparative Structural and Sequence Analyses.
Structure, 22, 2014
4E50
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BU of 4e50 by Molmil
Calmodulin and Ng peptide complex
Descriptor: Calmodulin, Linker, IQ motif of Neurogranin
Authors:Kumar, V, Sivaraman, J.
Deposit date:2012-03-13
Release date:2013-03-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
1K28
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The Structure of the Bacteriophage T4 Cell-Puncturing Device
Descriptor: BASEPLATE STRUCTURAL PROTEIN GP27, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Kanamaru, S, Leiman, P.G, Kostyuchenko, V.A, Chipman, P.R, Mesyanzhinov, V.V, Arisaka, F, Rossmann, M.G.
Deposit date:2001-09-26
Release date:2002-02-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the cell-puncturing device of bacteriophage T4.
Nature, 415, 2002
1G72
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CATALYTIC MECHANISM OF QUINOPROTEIN METHANOL DEHYDROGENASE: A THEORETICAL AND X-RAY CRYSTALLOGRAPHIC INVESTIGATION
Descriptor: CALCIUM ION, METHANOL DEHYDROGENASE HEAVY SUBUNIT, METHANOL DEHYDROGENASE LIGHT SUBUNIT, ...
Authors:Zheng, Y, Xia, Z, Chen, Z, Bruice, T.C, Mathews, F.S.
Deposit date:2000-11-08
Release date:2001-01-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catalytic mechanism of quinoprotein methanol dehydrogenase: A theoretical and x-ray crystallographic investigation.
Proc.Natl.Acad.Sci.USA, 98, 2001
1G7I
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BU of 1g7i by Molmil
CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME (HEL) COMPLEXED WITH THE MUTANT ANTI-HEL MONOCLONAL ANTIBODY D1.3 (VLW92F)
Descriptor: ANTI-HEN EGG WHITE LYSOZYME MONOCLONAL ANTIBODY D1.3, LYSOZYME C, PHOSPHATE ION
Authors:Sundberg, E.J, Urrutia, M, Braden, B.C, Isern, J, Mariuzza, R.A.
Deposit date:2000-11-10
Release date:2000-11-22
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Estimation of the hydrophobic effect in an antigen-antibody protein-protein interface.
Biochemistry, 39, 2000
3IZG
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BU of 3izg by Molmil
Bacteriophage T7 prohead shell EM-derived atomic model
Descriptor: Major capsid protein 10A
Authors:Ionel, A, Velazquez-Muriel, J.A, Agirrezabala, X, Luque, D, Cuervo, A, Caston, J.R, Valpuesta, J.M, Martin-Benito, J, Carrascosa, J.L.
Deposit date:2010-10-27
Release date:2010-11-17
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (10.9 Å)
Cite:Molecular rearrangements involved in the capsid shell maturation of bacteriophage T7.
J.Biol.Chem., 286, 2011
1GAE
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BU of 1gae by Molmil
COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY
Descriptor: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O.
Deposit date:1995-10-24
Release date:1996-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity.
J.Mol.Biol., 257, 1996
6CVW
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BU of 6cvw by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-52 (MK-5172 linear analogue)
Descriptor: N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide, NS3 protease, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
3IZX
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BU of 3izx by Molmil
3.1 Angstrom cryoEM structure of cytoplasmic polyhedrosis virus
Descriptor: Capsid protein VP1, Structural protein VP3, Viral structural protein 5
Authors:Yu, X, Ge, P, Jiang, J, Atanasov, I, Zhou, Z.H.
Deposit date:2011-01-15
Release date:2011-06-22
Last modified:2018-08-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Atomic Model of CPV Reveals the Mechanism Used by This Single-Shelled Virus to Economically Carry Out Functions Conserved in Multishelled Reoviruses.
Structure, 19, 2011
5AL0
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BU of 5al0 by Molmil
Transthyretin binding heterogeneity and anti-amyloidogenic activity of natural polyphenols and their metabolites: resveratrol-3-O-sulfate
Descriptor: DIMETHYL SULFOXIDE, RESVERATROL-3-O-SULFATE, SULFATE ION, ...
Authors:Florio, P, Foll, C, Cianci, M, Del Rio, D, Zanotti, G, Berni, R.
Deposit date:2015-03-05
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.388 Å)
Cite:Transthyretin Binding Heterogeneity and Anti-Amyloidogenic Activity of Natural Polyphenols and Their Metabolites
J.Biol.Chem., 290, 2015
1JEQ
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BU of 1jeq by Molmil
Crystal Structure of the Ku Heterodimer
Descriptor: KU70, KU80
Authors:Walker, J.R, Corpina, R.A, Goldberg, J.
Deposit date:2001-06-18
Release date:2001-08-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the Ku heterodimer bound to DNA and its implications for double-strand break repair.
Nature, 412, 2001
1JFA
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BU of 1jfa by Molmil
Trichodiene Synthase from Fusarium Sporotrichioides
Descriptor: 1,2-ETHANEDIOL, TRICHODIENE SYNTHASE
Authors:Rynkiewicz, M.J, Cane, D.E, Christianson, D.W.
Deposit date:2001-06-20
Release date:2001-11-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of trichodiene synthase from Fusarium sporotrichioides provides mechanistic inferences on the terpene cyclization cascade.
Proc.Natl.Acad.Sci.USA, 98, 2001
1NM2
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BU of 1nm2 by Molmil
Malonyl-CoA:ACP Transacylase
Descriptor: ACETIC ACID, NICKEL (II) ION, malonyl CoA:acyl carrier protein malonyltransferase
Authors:Keatinge-Clay, A.T, Shelat, A.A, Savage, D.F, Tsai, S, Miercke, L.J.W, O'Connell III, J.D, Khosla, C, Stroud, R.M.
Deposit date:2003-01-08
Release date:2003-01-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalysis, Specificity, and ACP Docking Site of Streptomyces coelicolor Malonyl-CoA:ACP Transacylase
Structure, 11, 2003
3V4K
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BU of 3v4k by Molmil
First-In-Class Small Molecule Inhibitors of the Single-strand DNA Cytosine Deaminase APOBEC3G
Descriptor: CHLORIDE ION, DNA dC->dU-editing enzyme APOBEC-3G, MAGNESIUM ION, ...
Authors:Shandilya, S.M.D, Ali, A, Schiffer, C.A.
Deposit date:2011-12-15
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:First-In-Class Small Molecule Inhibitors of the Single-Strand DNA Cytosine Deaminase APOBEC3G.
Acs Chem.Biol., 7, 2012
1GE2
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CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT LEFT-HANDED HELICAL POSITIONS
Descriptor: LYSOZYME C, SODIUM ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-10-06
Release date:2000-11-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of non-glycine residues in left-handed helical conformation for the conformational stability of human lysozyme
Proteins, 44, 2001
7XGW
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Apo structure of LW domain from Trypanosoma brucei
Descriptor: Transcription elongation factor s-II
Authors:Liao, S, Gao, J, Chen, M, Tu, X.
Deposit date:2022-04-06
Release date:2023-05-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for evolutionarily conserved interactions between TFIIS and Paf1C.
Int.J.Biol.Macromol., 253, 2023
1FWH
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BU of 1fwh by Molmil
KLEBSIELLA AEROGENES UREASE, C319Y VARIANT
Descriptor: NICKEL (II) ION, UREASE
Authors:Pearson, M.A, Karplus, P.A.
Deposit date:1997-04-23
Release date:1997-10-15
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Cys319 variants and acetohydroxamate-inhibited Klebsiella aerogenes urease.
Biochemistry, 36, 1997
6H3L
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BU of 6h3l by Molmil
Structure of VgrG1 in the Type VI secretion "pre-firing" VgrG1-Tse6-EagT6-EF-Tu-Tsi6 complex
Descriptor: VgrG1
Authors:Quentin, D, Raunser, S.
Deposit date:2018-07-19
Release date:2018-09-12
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Mechanism of loading and translocation of type VI secretion system effector Tse6.
Nat Microbiol, 3, 2018
3V57
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Crystal Structure of the B-phycoerythrin from the red algae Porphyridium Cruentum at pH8
Descriptor: PHYCOERYTHROBILIN, Phycoerythrin alpha subunit, Phycoerythrin beta subunit, ...
Authors:Camara-Artigas, A.
Deposit date:2011-12-16
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:pH-dependent structural conformations of B-phycoerythrin from Porphyridium cruentum
Febs J., 279, 2012
1GAY
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BU of 1gay by Molmil
CRYSTAL STRUCTURE OF MUTANT HUMAN LYSOZYME SUBSTITUTED AT THE SURFACE POSITIONS
Descriptor: MUTANT LYSOZYME, SODIUM ION
Authors:Funahashi, J, Takano, K, Yamagata, Y, Yutani, K.
Deposit date:2000-06-26
Release date:2000-06-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Role of surface hydrophobic residues in the conformational stability of human lysozyme at three different positions.
Biochemistry, 39, 2000

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