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6A28
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BU of 6a28 by Molmil
Crystal structure of PprA W183R mutant form 2
Descriptor: DNA repair protein PprA, SULFATE ION
Authors:Adachi, M, Shibazaki, C, Shimizu, R, Arai, S, Satoh, K, Narumi, I, Kuroki, R.
Deposit date:2018-06-09
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.193 Å)
Cite:Extended structure of pleiotropic DNA repair-promoting protein PprA from Deinococcus radiodurans.
FASEB J., 33, 2019
3H9E
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BU of 3h9e by Molmil
Crystal structure of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase (GAPDS) complex with NAD and phosphate
Descriptor: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, testis-specific, ...
Authors:Chaikuad, A, Shafqat, N, Yue, W, Cocking, R, Bray, J.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2009-04-30
Release date:2009-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure and kinetic characterization of human sperm-specific glyceraldehyde-3-phosphate dehydrogenase, GAPDS.
Biochem.J., 435, 2011
5ZU3
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BU of 5zu3 by Molmil
Effect of mutation (R554K) on FAD modification in Aspergillus oryzae RIB40formate oxidase
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Formate oxidase, ...
Authors:Mikami, B, Uchida, H, Doubayashi, D.
Deposit date:2018-05-06
Release date:2019-05-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The microenvironment surrounding FAD mediates its conversion to 8-formyl-FAD in Aspergillus oryzae RIB40 formate oxidase.
J.Biochem., 166, 2019
6A2J
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BU of 6a2j by Molmil
Crystal structure of heme A synthase from Bacillus subtilis
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Heme A synthase, ...
Authors:Niwa, S, Takeda, K, Kosugi, M, Tsutsumi, E, Miki, K.
Deposit date:2018-06-12
Release date:2018-11-21
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of heme A synthase fromBacillus subtilis.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4P7L
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BU of 4p7l by Molmil
Structure of Escherichia coli PgaB C-terminal domain, P212121 crystal form
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase
Authors:Little, D.J, Li, G, Ing, C, DiFrancesco, B, Bamford, N.C, Robinson, H, Nitz, M, Pomes, R, Howell, P.L.
Deposit date:2014-03-27
Release date:2014-07-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Modification and periplasmic translocation of the biofilm exopolysaccharide poly-beta-1,6-N-acetyl-D-glucosamine.
Proc.Natl.Acad.Sci.USA, 111, 2014
2ILU
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BU of 2ilu by Molmil
Crystal structure of lactaldehyde dehydrogenase from E. coli: the binary complex with NADPH
Descriptor: Aldehyde dehydrogenase A, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION
Authors:Di Costanzo, L, Gomez, G, Christianson, D.W.
Deposit date:2006-10-03
Release date:2007-05-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of lactaldehyde dehydrogenase from Escherichia coli and inferences regarding substrate and cofactor specificity.
J.Mol.Biol., 366, 2007
6I4T
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BU of 6i4t by Molmil
Crystal structure of the disease-causing I445M mutant of the human dihydrolipoamide dehydrogenase
Descriptor: Dihydrolipoyl dehydrogenase, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Szabo, E, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2018-11-10
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.823 Å)
Cite:Underlying molecular alterations in human dihydrolipoamide dehydrogenase deficiency revealed by structural analyses of disease-causing enzyme variants.
Hum.Mol.Genet., 28, 2019
2IPG
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BU of 2ipg by Molmil
Crystal structure of 17alpha-hydroxysteroid dehydrogenase mutant K31A in complex with NADP+ and epi-testosterone
Descriptor: (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE, 1,2-ETHANEDIOL, 3(17)alpha-hydroxysteroid dehydrogenase, ...
Authors:Faucher, F, Cantin, L, Pereira de Jesus-Tran, K, Lemieux, M, Luu-the, V, Labrie, F, Breton, R.
Deposit date:2006-10-12
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.
J.Mol.Biol., 369, 2007
3EJQ
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BU of 3ejq by Molmil
Golgi alpha-Mannosidase II in complex with 5-substitued swainsonine analog: (5R)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-swainsonine
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
5XGW
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BU of 5xgw by Molmil
Isoaspartyl dipeptidase from Colwellia psychrerythraea strain 34H
Descriptor: Isoaspartyl dipeptidase, ZINC ION
Authors:Lee, J.H, Lee, C.W, Park, S.H.
Deposit date:2017-04-18
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and functional characterization of an isoaspartyl dipeptidase (CpsIadA) from Colwellia psychrerythraea strain 34H.
PLoS ONE, 12, 2017
6A4G
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BU of 6a4g by Molmil
Mandelate oxidase mutant-Y128F with the monooxide FMN adduct
Descriptor: 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-19
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity.
Protein Sci., 29, 2020
5XTJ
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BU of 5xtj by Molmil
Mannanase(RmMan134A)
Descriptor: Endo beta-1,4-mannanase
Authors:Jiang, Z.Q, You, X, Huang, P.
Deposit date:2017-06-19
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural and biochemical insights into the substrate-binding mechanism of a novel glycoside hydrolase family 134 beta-mannanase.
Biochim Biophys Acta Gen Subj, 1862, 2018
6A4N
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BU of 6a4n by Molmil
HEWL crystals soaked in 2.5M GuHCl for 8 minutes
Descriptor: CHLORIDE ION, GLYCEROL, GUANIDINE, ...
Authors:Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V.
Deposit date:2018-06-20
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding.
Int. J. Biol. Macromol., 122, 2019
2IUK
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BU of 2iuk by Molmil
Crystal structure of Soybean Lipoxygenase-D
Descriptor: FE (III) ION, SEED LIPOXYGENASE
Authors:Youn, B, Sellhorn, G.E, Mirchel, R.J, Gaffney, B.J, Grimes, H.D, Kang, C.
Deposit date:2006-06-05
Release date:2006-10-11
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structures of Vegetative Soybean Lipoxygenase Vlx-B and Vlx-D, and Comparisons with Seed Isoforms Lox-1 and Lox-3.
Proteins, 65, 2006
3EF9
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BU of 3ef9 by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-09-08
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010
7Q3X
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BU of 7q3x by Molmil
Crystal structure of Malate dehydrogenase from Haloarcula marismortui with Potassium and Chloride ions
Descriptor: CHLORIDE ION, Malate dehydrogenase, POTASSIUM ION
Authors:Bertrand, Q, Roche, J, Girard, E, Madern, D.
Deposit date:2021-10-29
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Resurrection of Ancestral Malate Dehydrogenases Reveals the Evolutionary History of Haloarchaeal Proteins.
To Be Published
6IK6
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BU of 6ik6 by Molmil
Crystal structure of Tomato beta-galactosidase (TBG) 4 with beta-1,4-galactobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactosidase, ...
Authors:Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
Deposit date:2018-10-15
Release date:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.791 Å)
Cite:Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
4KUG
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BU of 4kug by Molmil
Crystal structure of 3-hydroxybutylryl-CoA dehydrogenase with NAD from Clostridium butyricum
Descriptor: 3-hydroxybutyryl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Kim, E.J, Kim, S, Kim, K.J.
Deposit date:2013-05-22
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of (S)-3-hydroxybutylryl-CoA dehydrogenase form the n-butanol sysnthesizing bacterium, Clostridium butyricum
to be published
4PHU
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BU of 4phu by Molmil
Crystal structure of Human GPR40 bound to allosteric agonist TAK-875
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIMETHYL SULFOXIDE, Free fatty acid receptor 1,Lysozyme, ...
Authors:Srivastava, A, Yano, J.K, Hirozane, Y, Kefala, G, Snell, G, Lane, W, Gruswitz, F, Ivetac, A, Aertgeerts, K, Nguyen, J, Jennings, A, Okada, K.
Deposit date:2014-05-07
Release date:2014-07-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875.
Nature, 513, 2014
3HAZ
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BU of 3haz by Molmil
Crystal structure of bifunctional proline utilization A (PutA) protein
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Tanner, J.J.
Deposit date:2009-05-03
Release date:2010-02-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the bifunctional proline utilization A flavoenzyme from Bradyrhizobium japonicum
Proc.Natl.Acad.Sci.USA, 107, 2010
4KVK
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BU of 4kvk by Molmil
Crystal structure of Oryza sativa fatty acid alpha-dioxygenase
Descriptor: CALCIUM ION, CHLORIDE ION, DECYL-BETA-D-MALTOPYRANOSIDE, ...
Authors:Zhu, G, Koszelak-Rosenblum, M, Malkowski, M.G.
Deposit date:2013-05-22
Release date:2013-08-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal structures of alpha-dioxygenase from Oryza sativa: Insights into substrate binding and activation by hydrogen peroxide.
Protein Sci., 22, 2013
4PJ2
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BU of 4pj2 by Molmil
Crystal structure of Aeromonas hydrophila PliI in complex with Meretrix lusoria lysozyme
Descriptor: GLYCEROL, Lysozyme, MAGNESIUM ION, ...
Authors:Leysen, S, Van Herreweghe, J.M, Yoneda, K, Ogata, M, Usui, T, Michiels, C.W, Araki, T, Strelkov, S.V.
Deposit date:2014-05-10
Release date:2015-02-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:The structure of the proteinaceous inhibitor PliI from Aeromonas hydrophila in complex with its target lysozyme.
Acta Crystallogr.,Sect.D, 71, 2015
2RAB
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BU of 2rab by Molmil
Structure of glutathione amide reductase from Chromatium gracile in complex with NAD
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, NICKEL (II) ION, ...
Authors:Van Petegem, F, De Vos, D, Savvides, S, Vergauwen, B, Van Beeumen, J.
Deposit date:2007-09-14
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Understanding nicotinamide dinucleotide cofactor and substrate specificity in class I flavoprotein disulfide oxidoreductases: crystallographic analysis of a glutathione amide reductase.
J.Mol.Biol., 374, 2007
5XJN
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BU of 5xjn by Molmil
cytochrome P450 CREJ in complex with (4-ethylphenyl) dihydrogen phosphate
Descriptor: (4-ethylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Dong, S, Du, L, Li, S, Feng, Y.
Deposit date:2017-05-03
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2RAY
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BU of 2ray by Molmil
beta-chlorophenetole in complex with T4 lysozyme L99A
Descriptor: (2-chloroethoxy)benzene, Lysozyme, PHOSPHATE ION
Authors:Graves, A.P, Boyce, S.E, Shoichet, B.K.
Deposit date:2007-09-17
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
J.Mol.Biol., 377, 2008

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