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2VCF
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BU of 2vcf by Molmil
Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase
Descriptor: 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE FROM SOYBEAN CYTOSOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E.
Deposit date:2007-09-21
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
6DDX
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BU of 6ddx by Molmil
Crystal structure of the double mutant (D52N/L375F) of NT5C2-537X in the active state, Northeast Structural Genomics Target
Descriptor: Cytosolic purine 5'-nucleotidase, PHOSPHATE ION
Authors:Forouhar, F, Dieck, C.L, Tzoneva, G, Carpenter, Z, Ambesi-Impiombato, A, Sanchez-Martin, M, Kirschner-Schwabe, R, Lew, S, Seetharaman, J, Ferrando, A.A, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2018-05-10
Release date:2018-07-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Structure and Mechanisms of NT5C2 Mutations Driving Thiopurine Resistance in Relapsed Lymphoblastic Leukemia.
Cancer Cell, 34, 2018
5EXE
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BU of 5exe by Molmil
Crystal structure of oxalate oxidoreductase from Moorella thermoacetica bound with carboxy-TPP adduct
Descriptor: IRON/SULFUR CLUSTER, MAGNESIUM ION, Oxalate oxidoreductase subunit alpha, ...
Authors:Gibson, M.I, Chen, P.Y.-T, Drennan, C.L.
Deposit date:2015-11-23
Release date:2015-12-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:One-carbon chemistry of oxalate oxidoreductase captured by X-ray crystallography.
Proc.Natl.Acad.Sci.USA, 113, 2016
2WNR
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BU of 2wnr by Molmil
The structure of Methanothermobacter thermautotrophicus exosome core assembly
Descriptor: PHOSPHATE ION, PROBABLE EXOSOME COMPLEX EXONUCLEASE 1, PROBABLE EXOSOME COMPLEX EXONUCLEASE 2
Authors:Ng, C.L, Waterman, D.G, Antson, A.A, Ortiz-Lombardia, M.
Deposit date:2009-07-19
Release date:2010-04-28
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the Methanothermobacter Thermautotrophicus Exosome Rnase Ph Ring
Acta Crystallogr.,Sect.D, 66, 2010
5FBH
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BU of 5fbh by Molmil
Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ...
Authors:Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J.
Deposit date:2015-12-14
Release date:2016-06-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist.
Sci Adv, 2, 2016
2VJO
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BU of 2vjo by Molmil
Formyl-CoA transferase mutant variant Q17A with aspartyl-CoA thioester intermediates and oxalate
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, COENZYME A, ...
Authors:Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y.
Deposit date:2007-12-11
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase.
J.Biol.Chem., 283, 2008
6DYX
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BU of 6dyx by Molmil
Structure of VHH R419 isolated from a pre-immune phage display library
Descriptor: ACETATE ION, SULFATE ION, VHH R419
Authors:Brooks, C.L.
Deposit date:2018-07-02
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a VHH isolated from a naive phage display library.
BMC Res Notes, 12, 2019
2VDG
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BU of 2vdg by Molmil
Barley Aldose Reductase 1 complex with butanol
Descriptor: 1-BUTANOL, ALDOSE REDUCTASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Olsen, J.G, Pedersen, L, Christensen, C.L, Olsen, O, Henriksen, A.
Deposit date:2007-10-08
Release date:2008-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Barley Aldose Reductase: Structure, Cofactor Binding, and Substrate Recognition in the Aldo/Keto Reductase 4C Family.
Proteins: Struct., Funct., Bioinf., 71, 2008
2VBF
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BU of 2vbf by Molmil
The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis
Descriptor: BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE
Authors:Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G.
Deposit date:2007-09-12
Release date:2007-12-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction
Acta Crystallogr.,Sect.D, 63, 2007
2UWP
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BU of 2uwp by Molmil
Factor Xa inhibitor complex
Descriptor: 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ...
Authors:Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H.
Deposit date:2007-03-22
Release date:2007-05-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
2V23
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BU of 2v23 by Molmil
Structure of cytochrome c peroxidase mutant N184R Y36A
Descriptor: CYTOCHROME C PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E.
Deposit date:2007-05-31
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
2VCS
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BU of 2vcs by Molmil
Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant H42A
Descriptor: 4-(DIAZENYLCARBONYL)PYRIDINE, ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Metcalfe, C.L, Macdonald, I.K, Brown, K.A, Raven, E.L, Moody, P.C.E.
Deposit date:2007-09-26
Release date:2007-12-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The Tuberculosis Prodrug Isoniazid Bound to Activating Peroxidases.
J.Biol.Chem., 283, 2008
2V3W
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BU of 2v3w by Molmil
Crystal structure of the benzoylformate decarboxylase variant L461A from Pseudomonas putida
Descriptor: BENZOYLFORMATE DECARBOXYLASE, MAGNESIUM ION, SULFATE ION, ...
Authors:Gocke, D, Walter, L, Gauchenova, K, Kolter, G, Knoll, M, Berthold, C.L, Schneider, G, Pleiss, J, Mueller, M, Pohl, M.
Deposit date:2007-06-25
Release date:2008-01-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rational Protein Design of Thdp-Dependent Enzymes-Engineering Stereoselectivity.
Chembiochem, 9, 2008
2VJL
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BU of 2vjl by Molmil
Formyl-CoA transferase with aspartyl-CoA thioester intermediate derived from formyl-CoA
Descriptor: CHLORIDE ION, COENZYME A, FORMYL-COENZYME A TRANSFERASE, ...
Authors:Berthold, C.L, Toyota, C.G, Richards, N.G.J, Lindqvist, Y.
Deposit date:2007-12-11
Release date:2007-12-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reinvestigation of the Catalytic Mechanism of Formyl-Coa Transferase, a Class III Coa-Transferase.
J.Biol.Chem., 283, 2008
4IXM
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BU of 4ixm by Molmil
Crystal structure of Zn(II)-bound YjiA GTPase from E. coli
Descriptor: SULFATE ION, Uncharacterized GTP-binding protein YjiA, ZINC ION
Authors:Jost, M, Ryan, K.S, Turo, K.E, Drennan, C.L.
Deposit date:2013-01-26
Release date:2013-02-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Metal binding properties of Escherichia coli YjiA, a member of the metal homeostasis-associated COG0523 family of GTPases.
Biochemistry, 52, 2013
2W2G
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BU of 2w2g by Molmil
Human SARS coronavirus unique domain
Descriptor: NON-STRUCTURAL PROTEIN 3, SULFATE ION
Authors:Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R.
Deposit date:2008-10-30
Release date:2009-05-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes.
Plos Pathog., 5, 2009
5G2Y
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BU of 5g2y by Molmil
Structure a of Group II Intron Complexed with its Reverse Transcriptase
Descriptor: GROUP II INTRON
Authors:Qu, G, Kaushal, P.S, Wang, J, Shigematsu, H, Piazza, C.L, Agrawal, R.K, Belfort, M, Wang, H.W.
Deposit date:2016-04-16
Release date:2016-05-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structure of a Group II Intron in Complex with its Reverse Transcriptase.
Nat.Struct.Mol.Biol., 23, 2016
4J1W
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BU of 4j1w by Molmil
Crystal Structure of Fe(II)-HppE with alternative substrate (R)-1-HPP
Descriptor: Epoxidase, FE (II) ION, GLYCEROL, ...
Authors:Drennan, C.L, Dey, M.
Deposit date:2013-02-03
Release date:2013-04-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Mechanistic studies of an unprecedented enzyme-catalysed 1,2-phosphono-migration reaction.
Nature, 496, 2013
4ITD
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BU of 4itd by Molmil
Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing transition mutation
Descriptor: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*(C6G)P*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Zhang, F, Suzuki, K, Tsunoda, M, Wilkinson, O, Millington, C.L, Williams, D.M, Morishita, E.C, Takenaka, A.
Deposit date:2013-01-18
Release date:2013-05-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structures of DNA duplexes containing O6-carboxymethylguanine, a lesion associated with gastrointestinal cancer, reveal a mechanism for inducing pyrimidine transition mutations
Nucleic Acids Res., 41, 2013
2VNZ
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BU of 2vnz by Molmil
Crystal structure of dithinonite reduced soybean ascorbate peroxidase mutant W41A.
Descriptor: ASCORBATE PEROXIDASE, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION
Authors:Metcalfe, C.L, Badyal, S.K, Raven, E.L, Moody, P.C.E.
Deposit date:2008-02-08
Release date:2008-04-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Iron Oxidation State Modulates Active Site Structure in a Heme Peroxidase.
Biochemistry, 47, 2008
6EA7
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BU of 6ea7 by Molmil
Structure of EBOV GPcl in complex with the pan-ebolavirus mAb ADI-15878
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:West, B.R, Moyer, C.L, King, L.B, Fusco, M.L, Milligan, J.C, Hui, S, Saphire, E.O.
Deposit date:2018-08-02
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.25 Å)
Cite:Structural Basis of Pan-Ebolavirus Neutralization by a Human Antibody against a Conserved, yet Cryptic Epitope.
MBio, 9, 2018
2VOG
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BU of 2vog by Molmil
Structure of mouse A1 bound to the Bmf BH3-domain
Descriptor: BCL-2-MODIFYING FACTOR, BCL-2-RELATED PROTEIN A1, CHLORIDE ION
Authors:Smits, C, Czabotar, P.E, Hinds, M.G, Day, C.L.
Deposit date:2008-02-17
Release date:2008-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Plasticity Underpins Promiscuous Binding of the Prosurvival Protein A1.
Structure, 16, 2008
5FAV
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BU of 5fav by Molmil
E491Q mutant of choline TMA-lyase
Descriptor: Choline trimethylamine-lyase, MALONATE ION, SODIUM ION
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-12-12
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
5FAW
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BU of 5faw by Molmil
T502A mutant of choline TMA-lyase
Descriptor: CHOLINE ION, Choline trimethylamine-lyase, MALONATE ION, ...
Authors:Funk, M.A, Drennan, C.L.
Deposit date:2015-12-12
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular Basis of C-N Bond Cleavage by the Glycyl Radical Enzyme Choline Trimethylamine-Lyase.
Cell Chem Biol, 23, 2016
6EFN
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BU of 6efn by Molmil
Structure of a RiPP maturase, SkfB
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Grell, T.A.J, Drennan, C.L.
Deposit date:2018-08-16
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:Structure of a RiPP maturase, SkfB
J.Biol.Chem., 2018

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