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PDB: 40926 results

2HQ5
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BU of 2hq5 by Molmil
Crystal structure of multidrug binding protein QacR from Staphylococcus aureus cocrystallized with compound DB359
Descriptor: HTH-type transcriptional regulator qacR, SULFATE ION
Authors:Brooks, B.E, Brennan, R.G.
Deposit date:2006-07-18
Release date:2007-07-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Multidrug-Binding Transcription Factor QacR Binds the Bivalent Aromatic Diamidines DB75 and DB359 in Multiple Positions
J.Am.Chem.Soc., 129, 2007
5G3D
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BU of 5g3d by Molmil
preserving Metallic Sites Affected by Radiation Damage the CuT2 cCase in Thermus Thermophilus Multicopper Oxidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E.
Deposit date:2016-04-25
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
7R4N
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BU of 7r4n by Molmil
Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 5-bromanyl-N-methyl-1H-indazole-3-carboxamide, FLAVIN MONONUCLEOTIDE, ...
Authors:Mackinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandeo-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
Deposit date:2022-02-08
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of human hydroxyacid oxidase 1 bound with 5-bromo-N-methyl-1H-indazole-3-carboxamide
To Be Published
6Y7Z
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BU of 6y7z by Molmil
Fragment KCL_914 in complex with MAP kinase p38-alpha
Descriptor: 1-(1-adamantyl)-3-ethyl-guanidine, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, CALCIUM ION, ...
Authors:De Nicola, G.F, Nichols, C.E.
Deposit date:2020-03-02
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Fragment KCL_914 in complex with MAP kinase p38-alpha
To Be Published
6IBD
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BU of 6ibd by Molmil
The Phosphatase and C2 domains of Human SHIP1
Descriptor: Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
Authors:Bradshaw, W.J, Williams, E.P, Fernandez-Cid, A, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2018-11-29
Release date:2019-01-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2.
Structure, 2024
3ZDB
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BU of 3zdb by Molmil
Structure of E. coli ExoIX in complex with the palindromic 5ov4 DNA oligonucleotide, di-magnesium and potassium
Descriptor: 5OV4 DNA, 5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*CP)-3', ACETATE ION, ...
Authors:Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
Deposit date:2012-11-26
Release date:2013-07-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
5MLB
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BU of 5mlb by Molmil
Crystal structure of human RAS in complex with darpin K27
Descriptor: DARPin K27, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Overman, R, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R.
Deposit date:2016-12-06
Release date:2017-12-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:INhibition of RAS nucleotide exchange by a DARPin: structural characterisation and effects on downstream signalling by active RAS
To Be Published
5K84
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BU of 5k84 by Molmil
Crystal structure of laccase from Thermus thermophilus HB27 (sodium nitrate 10 min)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase
Authors:Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Rudino-Pinera, E.
Deposit date:2016-05-27
Release date:2017-06-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
To be Published
3ZDC
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BU of 3zdc by Molmil
Structure of E. coli ExoIX in complex with the palindromic 5ov4 DNA oligonucleotide, potassium and calcium
Descriptor: 5OV4 DNA, 5'-D(*AP*AP*AP*AP*GP*CP*GP*TP*AP*CP*GP*CP)-3', ACETATE ION, ...
Authors:Hemsworth, G.R, Anstey-Gilbert, C.S, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
Deposit date:2012-11-26
Release date:2013-07-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
3ZD8
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BU of 3zd8 by Molmil
Potassium bound structure of E. coli ExoIX in P1
Descriptor: POTASSIUM ION, PROTEIN XNI
Authors:Anstey-Gilbert, C.S, Hemsworth, G.R, Flemming, C.S, Hodskinson, M.R.G, Zhang, J, Sedelnikova, S.E, Stillman, T.J, Sayers, J.R, Artymiuk, P.J.
Deposit date:2012-11-26
Release date:2013-07-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Nucleic Acids Res., 41, 2013
7RAA
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BU of 7raa by Molmil
Designed StabIL-2 seq15
Descriptor: Interleukin-2, MAGNESIUM ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WL8
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BU of 6wl8 by Molmil
Cryo-EM of Form 2 peptide filament
Descriptor: Form 2 peptide
Authors:Wang, F, Gnewou, O.M, Xu, C, Su, Z, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-18
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
5G3B
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BU of 5g3b by Molmil
Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Ruiz-Arellano, R.R, Diaz, A, Rosas, E, Rudino, E.
Deposit date:2016-04-25
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
7RA9
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BU of 7ra9 by Molmil
Designed StabIL-2 seq1
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Interleukin-2, PHOSPHATE ION
Authors:Jude, K.M, Chu, A.E, Huang, P.-S, Garcia, K.C.
Deposit date:2021-06-30
Release date:2022-03-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Interleukin-2 superkines by computational design.
Proc.Natl.Acad.Sci.USA, 119, 2022
1KTI
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BU of 1kti by Molmil
BINDING OF 100 MM N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUDIES
Descriptor: GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-(acetylcarbamoyl)-beta-D-glucopyranosylamine, ...
Authors:Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P.
Deposit date:2002-01-16
Release date:2002-01-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Binding of N-acetyl-N'-beta-D-glucopyranosyl urea and N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
4YGO
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BU of 4ygo by Molmil
Dodecameric structure of spermidine N-acetyltransferase from Vibrio cholerae in intermediate state
Descriptor: CALCIUM ION, METHANOL, Spermidine n1-acetyltransferase
Authors:Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-02-26
Release date:2015-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate-Induced Allosteric Change in the Quaternary Structure of the Spermidine N-Acetyltransferase SpeG.
J.Mol.Biol., 427, 2015
6ZRQ
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BU of 6zrq by Molmil
two-protofilament amyloid structure of S20G variant of human amylin (IAPP - islet amyloid polypeptide)
Descriptor: Islet amyloid polypeptide
Authors:Gallardo, R.U, Iadanza, M.G, Ranson, N.A, Radford, S.E.
Deposit date:2020-07-14
Release date:2020-09-30
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Fibril structures of diabetes-related amylin variants reveal a basis for surface-templated assembly.
Nat.Struct.Mol.Biol., 27, 2020
7SVS
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BU of 7svs by Molmil
Crystal structure analysis of the G73A mutant of Superoxide Dismutase from Trichoderma reesei
Descriptor: MANGANESE (II) ION, Superoxide dismutase
Authors:Mendoza Rengifo, E, Ferreira Jr, J.R, Garratt, C.R.
Deposit date:2021-11-19
Release date:2022-02-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Unexpected plasticity of the quaternary structure of iron-manganese superoxide dismutases.
J.Struct.Biol., 214, 2022
5LSV
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BU of 5lsv by Molmil
X-ray crystal structure of AA13 LPMO
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AoAA13, ZINC ION, ...
Authors:Frandsen, K.E.H, Poulsen, J.-C.N, Tovborg, M, Johansen, K.S, Lo Leggio, L.
Deposit date:2016-09-05
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Learning from oligosaccharide soaks of crystals of an AA13 lytic polysaccharide monooxygenase: crystal packing, ligand binding and active-site disorder.
Acta Crystallogr D Struct Biol, 73, 2017
6ZQA
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BU of 6zqa by Molmil
Cryo-EM structure of the 90S pre-ribosome from Saccharomyces cerevisiae, state A (Poly-Ala)
Descriptor: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ...
Authors:Cheng, J, Lau, B, Venuta, G.L, Berninghausen, O, Hurt, E, Beckmann, R.
Deposit date:2020-07-09
Release date:2020-09-23
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:90 S pre-ribosome transformation into the primordial 40 S subunit.
Science, 369, 2020
5G3G
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BU of 5g3g by Molmil
Preserving MEtallic Sites Affected by Radiation Damage the CuT2 case in Thermus Thermophilus multicopper Oxidase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, ...
Authors:Ruiz-Arellano, R, Diaz, A, Rosas, E, Rudino, E.
Deposit date:2016-04-26
Release date:2017-06-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Preserving Metallic Sites Affected by Radiation Damage the Cut2 Case in Thermus Thermophilus Multicopper Oxidase
To be Published
6ZRZ
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BU of 6zrz by Molmil
Crystal structure of 5-dimethylallyl tryptophan synthase from Streptomyces coelicolor in complex with DMASPP and Trp
Descriptor: DMATS type aromatic prenyltransferase, S-(3-methylbut-2-en-1-yl) trihydrogen thiodiphosphate, TRYPTOPHAN
Authors:Ostertag, E, Broger, K, Stehle, T, Zocher, G.
Deposit date:2020-07-15
Release date:2020-12-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Reprogramming Substrate and Catalytic Promiscuity of Tryptophan Prenyltransferases.
J.Mol.Biol., 433, 2020
1N49
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BU of 1n49 by Molmil
Viability of a Drug-Resistant HIV-1 Protease Variant: Structural Insights for Better Anti-Viral Therapy
Descriptor: Protease, RITONAVIR
Authors:Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A.
Deposit date:2002-10-30
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Viability of a Drug-Resistant Human Immunodeficiency Virus Type 1 Protease Variant: Structural Insights for Better Antiviral Therapy
J.VIROL., 77, 2003
5LVN
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BU of 5lvn by Molmil
Human PDK1 Kinase Domain in Complex with Adenosine Bound to the ATP-Binding Site
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE, CHLORIDE ION, ...
Authors:Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M.
Deposit date:2016-09-14
Release date:2016-10-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase.
Cell Chem Biol, 23, 2016
2OHJ
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BU of 2ohj by Molmil
Crystal Structure of coenzyme F420H2 oxidase (FprA), a diiron flavoprotein, inactive oxidized state
Descriptor: CHLORIDE ION, FE (III) ION, FLAVIN MONONUCLEOTIDE, ...
Authors:Seedorf, H, Warkentin, E, Ermler, U.
Deposit date:2007-01-10
Release date:2007-05-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structure of coenzyme F420H2 oxidase (FprA), a di-iron flavoprotein from methanogenic Archaea catalyzing the reduction of O2 to H2O.
Febs J., 274, 2007

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