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3GRV
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BU of 3grv by Molmil
Crystal Structure of the Complex between Adenosine and Methanocaldococcus jannaschi Dim1
Descriptor: ADENOSINE, Dimethyladenosine transferase, SULFATE ION
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
5K0R
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BU of 5k0r by Molmil
Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4)
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H:flavin oxidoreductase Sye4, Octadecane
Authors:Elegheert, J, Brige, A, Savvides, S.N.
Deposit date:2016-05-17
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
2OVE
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BU of 2ove by Molmil
Crystal Structure of Recombinant Human Complement Protein C8gamma
Descriptor: Complement component 8, gamma polypeptide
Authors:Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M.
Deposit date:2007-02-13
Release date:2007-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family
Biochim.Biophys.Acta, 1774, 2007
5Y31
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BU of 5y31 by Molmil
Crystal structure of human LGI1-ADAM22 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 22, ...
Authors:Yamagata, A, Fukai, S.
Deposit date:2017-07-27
Release date:2018-05-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (7.125 Å)
Cite:Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22.
Nat Commun, 9, 2018
3GRY
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BU of 3gry by Molmil
Crystal Structure of the complex between S-Adenosyl Methionine and Methanocaldococcus jannaschi Dim1.
Descriptor: Dimethyladenosine transferase, PHOSPHATE ION, S-ADENOSYLMETHIONINE
Authors:Scarsdale, J.N, Musayev, F.N, Rife, J.P.
Deposit date:2009-03-26
Release date:2010-03-31
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of adenosine-based ligands to the MjDim1 rRNA methyltransferase: implications for reaction mechanism and drug design.
Biochemistry, 49, 2010
5K1U
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BU of 5k1u by Molmil
Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4) in complex with the hydride Meisenheimer complex of trinitrophenol
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H:flavin oxidoreductase Sye4, PICRIC ACID
Authors:Elegheert, J, Brige, A, Savvides, S.N.
Deposit date:2016-05-18
Release date:2017-06-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
2I19
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BU of 2i19 by Molmil
T. Brucei farnesyl diphosphate synthase complexed with bisphosphonate
Descriptor: Farnesyl pyrophosphate synthase, MAGNESIUM ION, [2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Authors:Cao, R, Mao, J, Gao, Y, Robinson, H, Odeh, S, Goddard, A, Oldfield, E.
Deposit date:2006-08-13
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Solid-state NMR, crystallographic, and computational investigation of bisphosphonates and farnesyl diphosphate synthase-bisphosphonate complexes.
J.Am.Chem.Soc., 128, 2006
9BWF
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BU of 9bwf by Molmil
Crystal structure of cellulose oxidative enzyme without ligand
Descriptor: COPPER (II) ION, Cellulose oxidative enzyme
Authors:Morais, M.A.B, Santos, C.A, Araujo, E.A, Santos, C.R, Morao, L.G, Motta, M.L, Murakami, M.T.
Deposit date:2024-05-21
Release date:2024-12-04
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A metagenomic 'dark matter' enzyme catalyses oxidative cellulose conversion.
Nature, 639, 2025
4EE4
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BU of 4ee4 by Molmil
Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with tetrasaccharide from Lacto-N-neohexose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Beta-1,4-galactosyltransferase 1, GLYCEROL, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2012-03-28
Release date:2012-07-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode.
J.Biol.Chem., 287, 2012
4EEO
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BU of 4eeo by Molmil
Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with GLCNAC-BETA1,6-GlcNAc-ALPHA-benzyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside, Beta-1,4-galactosyltransferase 1, GLYCEROL, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2012-03-28
Release date:2012-07-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode.
J.Biol.Chem., 287, 2012
3O2U
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BU of 3o2u by Molmil
S. cerevisiae Ubc12
Descriptor: GLYCEROL, NEDD8-conjugating enzyme UBC12
Authors:Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A.
Deposit date:2010-07-22
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:A dual E3 mechanism for Rub1 ligation to Cdc53.
Mol.Cell, 39, 2010
2V0E
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BU of 2v0e by Molmil
BRK domain from human CHD7
Descriptor: CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 7
Authors:Allen, M.D, Religa, T.L, Freund, S.M.V, Bycroft, M.
Deposit date:2007-05-14
Release date:2007-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Brk Domains from Chd7
J.Mol.Biol., 371, 2007
5E7Q
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BU of 5e7q by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis
Descriptor: GLYCEROL, SULFATE ION, acyl-CoA synthetase
Authors:Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-10-12
Release date:2015-10-21
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
4WQP
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BU of 4wqp by Molmil
Crystal structure of RORc in complex with a benzyl sulfonamide inverse agonist
Descriptor: N-[4-(4-acetylpiperazin-1-yl)benzyl]-N-(2-methylpropyl)-1-phenylmethanesulfonamide, Nuclear receptor ROR-gamma, SULFATE ION, ...
Authors:Boenig, G, Hymowitz, S.G.
Deposit date:2014-10-22
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action.
Acs Med.Chem.Lett., 6, 2015
1UMD
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BU of 1umd by Molmil
branched-chain 2-oxo acid dehydrogenase (E1) from Thermus thermophilus HB8 with 4-methyl-2-oxopentanoate as an intermediate
Descriptor: 2-OXO-4-METHYLPENTANOIC ACID, 2-oxo acid dehydrogenase alpha subunit, 2-oxo acid dehydrogenase beta subunit, ...
Authors:Nakai, T, Nakagawa, N, Maoka, N, Masui, R, Kuramitsu, S, Kamiya, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2003-09-25
Release date:2004-03-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ligand-induced Conformational Changes and a Reaction Intermediate in Branched-chain 2-Oxo Acid Dehydrogenase (E1) from Thermus thermophilus HB8, as Revealed by X-ray Crystallography
J.Mol.Biol., 337, 2004
2OVA
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BU of 2ova by Molmil
X-ray structure of Human Complement Protein C8gamma Y83W Mutant
Descriptor: Complement component 8, gamma polypeptide
Authors:Chiswell, B, Lovelace, L.L, Brannen, C, Ortlund, E.A, Lebioda, L, Sodetz, J.M.
Deposit date:2007-02-13
Release date:2007-05-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural features of the ligand binding site on human complement protein C8gamma: A member of the lipocalin family
Biochim.Biophys.Acta, 1774, 2007
2V0F
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BU of 2v0f by Molmil
BRK domain from human CHD7
Descriptor: CHROMODOMAIN-HELICASE-DNA-BINDING PROTEIN 7
Authors:Allen, M.D, Religa, T.L, Freund, S.M.V, Bycroft, M.
Deposit date:2007-05-14
Release date:2007-05-22
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution Structure of the Brk Domains from Chd7
J.Mol.Biol., 371, 2007
4EY8
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BU of 4ey8 by Molmil
Crystal structure of recombinant human acetylcholinesterase in complex with fasciculin-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, Fasciculin-2, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5958 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012
2I8A
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BU of 2i8a by Molmil
Salmonella typhimurium liganded by phosphate ion at 1.64A resolution
Descriptor: PHOSPHATE ION, Uridine phosphorylase
Authors:Timofeev, V.I, Gabdoulkhakov, A.G, Mikhailov, A.M.
Deposit date:2006-09-01
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Salmonella typhimurium liganded by phosphate ion at 1.64A resolution
To be Published
4EE5
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BU of 4ee5 by Molmil
Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with trisaccharide from Lacto-N-neotetraose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Beta-1,4-galactosyltransferase 1, GLYCEROL, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2012-03-28
Release date:2012-07-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode.
J.Biol.Chem., 287, 2012
4EEM
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BU of 4eem by Molmil
Crystal structure of human M340H-beta-1,4-galactosyltransferase-1 (M340H-B4GAL-T1) in complex with GLCNAC-BETA1,6-MAN-ALPHA-methyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-methyl alpha-D-mannopyranoside, Beta-1,4-galactosyltransferase 1, GLYCEROL, ...
Authors:Ramakrishnan, B, Qasba, P.K.
Deposit date:2012-03-28
Release date:2012-07-04
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Binding of N-acetylglucosamine (GlcNAc) beta 1-6-branched oligosaccharide acceptors to beta 4-galactosyltransferase I reveals a new ligand binding mode.
J.Biol.Chem., 287, 2012
1IXP
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BU of 1ixp by Molmil
Enzyme-phosphate Complex of Pyridoxine 5'-Phosphate synthase
Descriptor: PHOSPHATE ION, Pyridoxine 5'-Phosphate synthase
Authors:Garrido-Franco, M, Laber, B, Huber, R, Clausen, T.
Deposit date:2002-06-28
Release date:2003-02-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis
J.MOL.BIOL., 321, 2002
2II3
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BU of 2ii3 by Molmil
Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Oxidized Coenzyme A-bound form
Descriptor: ACETATE ION, CHLORIDE ION, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T.
Deposit date:2006-09-27
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex.
Embo J., 25, 2006
2II4
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BU of 2ii4 by Molmil
Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Coenzyme A-bound form
Descriptor: CHLORIDE ION, COENZYME A, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T.
Deposit date:2006-09-27
Release date:2006-12-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex.
Embo J., 25, 2006
4EY6
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BU of 4ey6 by Molmil
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with (-)-galantamine
Descriptor: (-)-GALANTHAMINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cheung, J, Rudolph, M, Burshteyn, F, Cassidy, M, Gary, E, Love, J, Height, J, Franklin, M.
Deposit date:2012-05-01
Release date:2012-10-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3983 Å)
Cite:Structures of human acetylcholinesterase in complex with pharmacologically important ligands.
J.Med.Chem., 55, 2012

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