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7V58
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BU of 7v58 by Molmil
Structural insights into the substrate selectivity of acyl-CoA transferase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-amino-3-ketobutyrate coenzyme A ligase, GLYCINE, ...
Authors:Chang, H.Y, Ko, T.P.
Deposit date:2021-08-16
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural insights into the substrate selectivity of alpha-oxoamine synthases from marine Vibrio sp. QWI-06.
Colloids Surf B Biointerfaces, 210, 2022
1UUM
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BU of 1uum by Molmil
Rat dihydroorotate dehydrogenase (DHOD)in complex with atovaquone
Descriptor: 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-3,4-DIHYDROXY-1(2H)-NAPHTHALENONE, DIHYDROOROTATE DEHYDROGENASE, FLAVIN MONONUCLEOTIDE, ...
Authors:Hansen, M, Le Nours, J, Johansson, E, Antal, T, Ullrich, A, Loffler, M, Larsen, S.
Deposit date:2004-01-06
Release date:2004-04-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitor Binding in a Class 2 Dihydroorotate Dehydrogenase Causes Variations in the Membrane-Associated N-Terminal Domain
Protein Sci., 13, 2004
7NFB
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BU of 7nfb by Molmil
ER-PRS*(+) (Y537S) in complex with genistein and SRC-2 coactivator peptide
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Estrogen receptor, ...
Authors:Kriegel, M, Muller, Y.A.
Deposit date:2021-02-05
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:A PROSS-designed extensively mutated estrogen receptor alpha variant displays enhanced thermal stability while retaining native allosteric regulation and structure.
Sci Rep, 11, 2021
1JQK
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BU of 1jqk by Molmil
Crystal structure of carbon monoxide dehydrogenase from Rhodospirillum rubrum
Descriptor: FE (II) ION, FE(3)-NI(1)-S(4) CLUSTER, IRON/SULFUR CLUSTER, ...
Authors:Drennan, C.L, Heo, J, Sintchak, M.D, Schreiter, E, Ludden, P.W.
Deposit date:2001-08-07
Release date:2001-10-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Life on carbon monoxide: X-ray structure of Rhodospirillum rubrum Ni-Fe-S carbon monoxide dehydrogenase.
Proc.Natl.Acad.Sci.USA, 98, 2001
4DOB
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BU of 4dob by Molmil
Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochlororomethylene triphosphate: Stereoselective binding of R-isomer
Descriptor: 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ...
Authors:Batra, V.K.
Deposit date:2012-02-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Beta,Gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
7K86
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BU of 7k86 by Molmil
Crystal Structure of Glutamyl-tRNA synthetase (gltX) from Stenotrophomonas maltophilia
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Glutamate--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-09-25
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of Glutamyl-tRNA synthetase (gltX) from Stenotrophomonas maltophilia
to be published
5L05
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BU of 5l05 by Molmil
Crystal structure of catalase-peroxidase KATG of burkholderia pseudomallei treated with INH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ...
Authors:Loewen, P.C.
Deposit date:2016-07-26
Release date:2016-08-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Catalase-peroxidase KatG of Burkholderia pseudomallei at 1.7A resolution.
J. Mol. Biol., 327, 2003
5KJB
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BU of 5kjb by Molmil
Synechocystis apocarotenoid oxygenase (ACO) mutant - Glu150Asp
Descriptor: Apocarotenoid-15,15'-oxygenase, FE (II) ION
Authors:Sui, X, Kiser, P.D, Palczewski, K.
Deposit date:2016-06-18
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Key Residues for Catalytic Function and Metal Coordination in a Carotenoid Cleavage Dioxygenase.
J.Biol.Chem., 291, 2016
4RKJ
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BU of 4rkj by Molmil
Crystal structure of thrombin mutant S195T (free form)
Descriptor: GLYCEROL, POTASSIUM ION, Thrombin heavy chain, ...
Authors:Pelc, A.L, Chen, Z, Gohara, D.W, Vogt, A.D, Pozzi, N, Di Cera, E.
Deposit date:2014-10-13
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Why ser and not thr brokers catalysis in the trypsin fold.
Biochemistry, 54, 2015
2QKX
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BU of 2qkx by Molmil
N-acetyl glucosamine 1-phosphate uridyltransferase from Mycobacterium tuberculosis complex with N-acetyl glucosamine 1-phosphate
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, Bifunctional protein glmU
Authors:Zhang, Z, Squire, C.J, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-07-11
Release date:2008-07-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure and function of GlmU from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.D, 65, 2009
2FRI
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BU of 2fri by Molmil
Horse Heart Myoglobin, Nitrite Adduct, Co-crystallized
Descriptor: Myoglobin, NITRITE ION, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Copeland, D.M, Soares, A.S, West, A.H, Richter-Addo, G.B.
Deposit date:2006-01-19
Release date:2006-05-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of the nitrite and nitric oxide complexes of horse heart myoglobin.
J.Inorg.Biochem., 100, 2006
4DN4
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BU of 4dn4 by Molmil
Crystal structure of the complex between cnto888 fab and mcp-1 mutant p8a
Descriptor: ACETATE ION, C-C motif chemokine 2, CNTO888 HEAVY CHAIN, ...
Authors:Obmolova, G, Teplyakov, A, Malia, T, Grygiel, T, Sweet, R, Snyder, L, Gilliland, G.
Deposit date:2012-02-08
Release date:2012-10-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for high selectivity of anti-CCL2 neutralizing antibody CNTO 888.
Mol.Immunol., 51, 2012
4DOA
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BU of 4doa by Molmil
Ternary complex of dna polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monofluoromethylene triphosphate: non-interactive binding of s-isomer
Descriptor: 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, C C G A C C G C G C A T C A G C, CHLORIDE ION, ...
Authors:Batra, V.K.
Deposit date:2012-02-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.051 Å)
Cite:Beta,gamma-CHF- and beta,gamma-CHCl-dGTP Diastereomers: Synthesis, Discrete (31)P NMR Signatures, and Absolute Configurations of New Stereochemical Probes for DNA Polymerases
J.Am.Chem.Soc., 134, 2012
1JHK
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BU of 1jhk by Molmil
Crystal structure of the anti-estradiol antibody 57-2
Descriptor: Ig gamma-1-chain, Ig kappa-chain
Authors:Lamminmaki, U, Kankare, J.A.
Deposit date:2001-06-28
Release date:2001-10-10
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Crystal structure of a recombinant anti-estradiol Fab fragment in complex with 17beta -estradiol.
J.Biol.Chem., 276, 2001
4F2E
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BU of 4f2e by Molmil
Crystal structure of the Streptococcus pneumoniae D39 copper chaperone CupA with Cu(I)
Descriptor: CHLORIDE ION, COPPER (I) ION, CupA
Authors:Fu, Y, Dann III, C.E, Giedroc, D.P.
Deposit date:2012-05-07
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:A new structural paradigm in copper resistance in Streptococcus pneumoniae.
Nat.Chem.Biol., 9, 2013
5KJA
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BU of 5kja by Molmil
Synechocystis apocarotenoid oxygenase (ACO) mutant - Trp149Ala
Descriptor: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
Authors:Sui, X, Kiser, P.D, Palczewski, K.
Deposit date:2016-06-18
Release date:2016-08-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Key Residues for Catalytic Function and Metal Coordination in a Carotenoid Cleavage Dioxygenase.
J.Biol.Chem., 291, 2016
1ED8
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BU of 1ed8 by Molmil
STRUCTURE OF E. COLI ALKALINE PHOSPHATASE INHIBITED BY THE INORGANIC PHOSPHATE AT 1.75A RESOLUTION
Descriptor: ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Stec, B, Holtz, K.M, Kantrowitz, E.R.
Deposit date:2000-01-27
Release date:2000-09-20
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A revised mechanism for the alkaline phosphatase reaction involving three metal ions.
J.Mol.Biol., 299, 2000
6TBF
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BU of 6tbf by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
4O5C
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BU of 4o5c by Molmil
Structure of human DNA polymerase complexed with N7-MG as the template base in a 1-nucleotide gapped DNA
Descriptor: DNA (5'-D(*CP*CP*GP*AP*CP*(FMG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ...
Authors:Koag, M.C, Lee, S.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.363 Å)
Cite:Transition-state destabilization reveals how human DNA polymerase beta proceeds across the chemically unstable lesion N7-methylguanine.
Nucleic Acids Res., 42, 2014
2YCA
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BU of 2yca by Molmil
Mixed-function P450 MycG in complex with mycinamicin III in P21212 space group
Descriptor: GLYCEROL, MYCINAMICIN III, P-450-LIKE PROTEIN, ...
Authors:Li, S, Kells, P.M, Sherman, D.H, Podust, L.M.
Deposit date:2011-03-12
Release date:2012-03-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions.
J.Biol.Chem., 287, 2012
6TBI
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BU of 6tbi by Molmil
Structure of a beta galactosidase with inhibitor
Descriptor: (1S,2S,3S,6R)-4-(hydroxymethyl)-6-(octylamino)cyclohex-4-ene-1,2,3-triol, ACETATE ION, Beta-galactosidase, ...
Authors:Offen, W, Davies, G.
Deposit date:2019-11-01
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine.
Molecules, 25, 2020
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014
5GQC
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BU of 5gqc by Molmil
Crystal structure of lacto-N-biosidase LnbX from Bifidobacterium longum subsp. longum, ligand-free form
Descriptor: CALCIUM ION, Lacto-N-biosidase, SODIUM ION
Authors:Yamada, C, Arakawa, T, Katayama, T, Fushinobu, S.
Deposit date:2016-08-07
Release date:2017-04-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Molecular Insight into Evolution of Symbiosis between Breast-Fed Infants and a Member of the Human Gut Microbiome Bifidobacterium longum
Cell Chem Biol, 24, 2017
5L9O
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BU of 5l9o by Molmil
Crystal structure of Agrobacterium tumefaciens C58 strain PBP SocA in complex with glucopine
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Deoxyfructosyl-amino Acid Transporter Periplasmic Binding Protein, ...
Authors:Marty, L, Morera, S.
Deposit date:2016-06-10
Release date:2016-09-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural Basis for High Specificity of Amadori Compound and Mannopine Opine Binding in Bacterial Pathogens.
J.Biol.Chem., 291, 2016
1P29
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BU of 1p29 by Molmil
Crystal Structure of glycogen phosphorylase b in complex with maltopentaose
Descriptor: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M.
Deposit date:2003-04-15
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies.
Protein Sci., 12, 2003

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