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PDB: 303 results

4RJK
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BU of 4rjk by Molmil
Acetolactate synthase from Bacillus subtilis bound to LThDP - crystal form II
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, Acetolactate synthase, MAGNESIUM ION, ...
Authors:Sommer, B, von Moeller, H, Haack, M, Qoura, F, Langner, C, Bourenkov, G, Garbe, D, Brueck, T, Loll, B.
Deposit date:2014-10-09
Release date:2014-10-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase.
Chembiochem, 16, 2015
4RZ4
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BU of 4rz4 by Molmil
Fructose-6-phosphate aldolase Q59E Y131F from E.coli
Descriptor: CHLORIDE ION, Fructose-6-phosphate aldolase 1, PHOSPHATE ION, ...
Authors:Sandalova, T, Stellmacher, L, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2014-12-18
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4RJJ
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BU of 4rjj by Molmil
Acetolactate synthase from Bacillus subtilis bound to ThDP - crystal form II
Descriptor: ACETATE ION, Acetolactate synthase, MAGNESIUM ION, ...
Authors:Sommer, B, von Moeller, H, Haack, M, Qoura, F, Langner, C, Bourenkov, G, Garbe, D, Brueck, T, Loll, B.
Deposit date:2014-10-09
Release date:2014-10-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase.
Chembiochem, 16, 2015
4RXG
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BU of 4rxg by Molmil
Fructose-6-phosphate aldolase Q59E from E.coli
Descriptor: Fructose-6-phosphate aldolase 1, GLYCEROL, PENTAETHYLENE GLYCOL
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2014-12-11
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4S1F
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BU of 4s1f by Molmil
Fructose-6-phosphate aldolase A from E.coli soaked in acetylacetone
Descriptor: Fructose-6-phosphate aldolase 1, pentane-2,4-dione
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4RXF
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BU of 4rxf by Molmil
Fructose-6-phosphate aldolase Y131F from E.coli
Descriptor: Fructose-6-phosphate aldolase 1, PHOSPHATE ION
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2014-12-11
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4S2C
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BU of 4s2c by Molmil
Covalent complex of E. coli transaldolase TalB with fructose-6-phosphate
Descriptor: 1,2-ETHANEDIOL, FRUCTOSE -6-PHOSPHATE, Transaldolase B
Authors:Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants.
Acta Crystallogr D Struct Biol, 72, 2016
4RZ6
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BU of 4rz6 by Molmil
Transaldolase B E96Q F178Y from E.coli
Descriptor: CHLORIDE ION, HEXAETHYLENE GLYCOL, SULFATE ION, ...
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2014-12-18
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4S2B
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BU of 4s2b by Molmil
Covalent complex of E. coli transaldolase TalB with tagatose-6-phosphate
Descriptor: 2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose, SULFATE ION, Transaldolase B
Authors:Stellmacher, L, Sandalova, T, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2015-01-20
Release date:2016-01-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Novel mode of inhibition by D-tagatose 6-phosphate through a Heyns rearrangement in the active site of transaldolase B variants.
Acta Crystallogr D Struct Biol, 72, 2016
4RZ5
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BU of 4rz5 by Molmil
Transaldolase B E96Q from E.coli
Descriptor: SULFATE ION, Transaldolase B
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2014-12-18
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
4RJI
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BU of 4rji by Molmil
Acetolactate synthase from Bacillus subtilis bound to ThDP - crystal form I
Descriptor: Acetolactate synthase, MAGNESIUM ION, TETRAETHYLENE GLYCOL, ...
Authors:Sommer, B, von Moeller, H, Haack, M, Qoura, F, Langner, C, Bourenkov, G, Garbe, D, Brueck, T, Loll, B.
Deposit date:2014-10-09
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Detailed Structure-Function Correlations of Bacillus subtilis Acetolactate Synthase.
Chembiochem, 16, 2015
7QFC
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BU of 7qfc by Molmil
Crystal structure of cytotoxin 13 from Naja naja, orthorhombic form
Descriptor: Cytotoxin 13
Authors:Samygina, V.R, Dubova, K.M, Bourenkov, G, Utkin, Y.N, Dubovskii, P.V.
Deposit date:2021-12-05
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Variability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling.
Toxins, 14, 2022
7P76
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BU of 7p76 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde
Descriptor: (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
Deposit date:2021-07-19
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
7QHI
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BU of 7qhi by Molmil
Crystal structure of cytotoxin 13 from Naja naja, hexagonal form
Descriptor: Cytotoxin 13
Authors:Samygina, V.R, Dubova, K.M, Bourenkov, G, Utkin, Y.N, Dubovskii, P.V.
Deposit date:2021-12-12
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Variability in the Spatial Structure of the Central Loop in Cobra Cytotoxins Revealed by X-ray Analysis and Molecular Modeling.
Toxins, 14, 2022
8BY3
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BU of 8by3 by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: NICKEL (II) ION, SULFATE ION, Type 1 fimbrin D-mannose specific adhesin, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-12-11
Release date:2023-04-12
Last modified:2023-04-26
Method:X-RAY DIFFRACTION (3.186 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors.
J.Biol.Chem., 299, 2023
7PUO
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BU of 7puo by Molmil
Structure of a fused 4-OT variant engineered for asymmetric Michael addition reactions
Descriptor: 2-hydroxymuconate tautomerase,Chains: A,B,C,D,E,F,2-hydroxymuconate tautomerase, CHLORIDE ION, GLYCEROL
Authors:Rozeboom, H.J, Thunnissen, A.M.W.H, Poelarends, G.J.
Deposit date:2021-09-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Gene Fusion and Directed Evolution to Break Structural Symmetry and Boost Catalysis by an Oligomeric C-C Bond-Forming Enzyme.
Angew.Chem.Int.Ed.Engl., 61, 2022
5LF0
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BU of 5lf0 by Molmil
Human 20S proteasome complex with Epoxomicin at 2.4 Angstrom
Descriptor: CHLORIDE ION, EPOXOMICIN (peptide inhibitor), MAGNESIUM ION, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
7P75
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BU of 7p75 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions in substrate-free state
Descriptor: Deoxyribose-phosphate aldolase
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
Deposit date:2021-07-19
Release date:2021-10-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
7YXA
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BU of 7yxa by Molmil
XFEL crystal structure of the human sphingosine 1 phosphate receptor 5 in complex with ONO-5430608
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[6-(2-naphthalen-1-ylethoxy)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-3-yl]butanoic acid, ...
Authors:Lyapina, E, Marin, E, Gusach, A, Orekhov, P, Gerasimov, A, Luginina, A, Vakhrameev, D, Ergasheva, M, Kovaleva, M, Khusainov, G, Khorn, P, Shevtsov, M, Kovalev, K, Okhrimenko, I, Bukhdruker, S, Popov, P, Hu, H, Weierstall, U, Liu, W, Cho, Y, Gushchin, I, Rogachev, A, Bourenkov, G, Park, S, Park, G, Huyn, H.J, Park, J, Gordeliy, V, Borshchevskiy, V, Mishin, A, Cherezov, V.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for receptor selectivity and inverse agonism in S1P 5 receptors.
Nat Commun, 13, 2022
8QLE
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BU of 8qle by Molmil
Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 4.6
Descriptor: Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID
Authors:Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G.
Deposit date:2023-09-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
8QLF
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BU of 8qlf by Molmil
Crystal structure of the light-driven sodium pump ErNaR in the monomeric form at pH 8.8
Descriptor: Bacteriorhodopsin-like protein, EICOSANE, OLEIC ACID
Authors:Kovalev, K, Podoliak, E, Lamm, G.H.U, Astashkin, R, Bourenkov, G.
Deposit date:2023-09-19
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:A subgroup of light-driven sodium pumps with an additional Schiff base counterion.
Nat Commun, 15, 2024
7QUO
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BU of 7quo by Molmil
FimH lectin domain in complex with oligomannose-6
Descriptor: FimH, NICKEL (II) ION, SULFATE ION, ...
Authors:Bouckaert, J, Bourenkov, G.P.
Deposit date:2022-01-18
Release date:2023-02-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into a cooperative switch between one and two FimH bacterial adhesins binding pauci- and high-mannose type N-glycan receptors
J.Biol.Chem., 299, 2023
1EHK
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BU of 1ehk by Molmil
CRYSTAL STRUCTURE OF THE ABERRANT BA3-CYTOCHROME-C OXIDASE FROM THERMUS THERMOPHILUS
Descriptor: BA3-TYPE CYTOCHROME-C OXIDASE, COPPER (II) ION, DINUCLEAR COPPER ION, ...
Authors:Soulimane, T, Buse, G, Bourenkov, G.P, Bartunik, H.D, Huber, R, Than, M.E.
Deposit date:2000-02-21
Release date:2001-02-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and mechanism of the aberrant ba(3)-cytochrome c oxidase from thermus thermophilus.
EMBO J., 19, 2000
8C51
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BU of 8c51 by Molmil
Trypanosoma brucei IMP dehydrogenase (cyto) crystallized in High Five cells revealing native ligands ATP, GDP and phosphate. Diffraction data collection at 100 K in cellulo
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ...
Authors:Lahey-Rudolph, J.M, Schoenherr, R, Boger, J, Harms, M, Kaiser, J, Nachtschatt, S, Wobbe, M, Duden, R, Koenig, P, Bourenkov, G, Schneider, T, Redecke, L.
Deposit date:2023-01-06
Release date:2024-01-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A streamlined approach to structure elucidation using in cellulo crystallized recombinant proteins, InCellCryst.
Nat Commun, 15, 2024
5LEY
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BU of 5ley by Molmil
Human 20S proteasome complex with Oprozomib at 1.9 Angstrom
Descriptor: CHLORIDE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016

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