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3IAP
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BU of 3iap by Molmil
E. coli (lacZ) beta-galactosidase (E416Q)
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Lo, S, Dugdale, M.L, Jeerh, N, Ku, T, Roth, N.J, Huber, R.E.
Deposit date:2009-07-14
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Studies of Glu-416 variants of beta-galactosidase (E. coli) show that the active site Mg(2+) is not important for structure and indicate that the main role of Mg (2+) is to mediate optimization of active site chemistry
Protein J., 29, 2010
7VI8
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BU of 7vi8 by Molmil
Crystal structure of ChbG
Descriptor: ACETATE ION, Chitooligosaccharide deacetylase, ZINC ION
Authors:Lee, S.Y, Park, H.H.
Deposit date:2021-09-26
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of ChbG from Klebsiella pneumoniae reveals the molecular basis of diacetylchitobiose deacetylation.
Commun Biol, 5, 2022
3EON
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BU of 3eon by Molmil
2.55A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei in complex with a small molecule
Descriptor: (3,5-difluorophenyl)methanol, Glutaryl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-28
Release date:2008-10-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Probing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Acta Crystallogr.,Sect.F, 67, 2011
7VT4
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BU of 7vt4 by Molmil
Crystal structure of mutant E393Q of MtGlu5
Descriptor: Endoglucanase H, GLYCEROL, SULFATE ION
Authors:Ye, T.J, Ko, P.T, Huang, K.F, Wu, S.H.
Deposit date:2021-10-28
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Synergic action of an inserted carbohydrate-binding module in a glycoside hydrolase family 5 endoglucanase.
Acta Crystallogr D Struct Biol, 78, 2022
7V67
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BU of 7v67 by Molmil
Crystal Structure of Enolase1 from Candida albicans
Descriptor: Enolase 1, SULFATE ION
Authors:Zhang, M, Zhang, X.
Deposit date:2021-08-19
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Baicalein Acts against Candida albicans by Targeting Eno1 and Inhibiting Glycolysis.
Microbiol Spectr, 10, 2022
6A0D
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BU of 6a0d by Molmil
The crystal structure of Mandelate oxidase mutant Y128F with (S)-2-phenylpropanoic acid
Descriptor: (2~{S})-2-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
6A0O
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BU of 6a0o by Molmil
Mandelate oxidase mutant-Y128F with benzaldehyde
Descriptor: 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE, benzaldehyde
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
7V8S
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BU of 7v8s by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of P1211
Descriptor: Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
4M1Q
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BU of 4m1q by Molmil
Crystal structure of L-lactate dehydrogenase from Bacillus selenitireducens MLS10, NYSGRC Target 029814.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, L-lactate dehydrogenase, PHOSPHATE ION
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-08-03
Release date:2013-08-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of L-lactate dehydrogenase from Bacillus selenitireducens MLS10, NYSGRC Target 029814.
To be Published
6A0Y
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BU of 6a0y by Molmil
Mandelate oxidase mutant-Y128F with Benzoic acid
Descriptor: 4-hydroxymandelate oxidase, BENZOIC ACID, FLAVIN MONONUCLEOTIDE
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-06
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Acta Crystallogr D Struct Biol, 75, 2019
3IJI
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BU of 3iji by Molmil
Structure of dipeptide epimerase from Bacteroides thetaiotaomicron complexed with L-Ala-D-Glu; nonproductive substrate binding.
Descriptor: ALANINE, D-GLUTAMIC ACID, MAGNESIUM ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Lukk, T, Gerlt, J.A, Almo, S.C.
Deposit date:2009-08-04
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
6J82
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BU of 6j82 by Molmil
Crystal structure of TleB apo
Descriptor: Cytochrome P-450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Alblova, M, Nakamura, H, Mori, T, Abe, I.
Deposit date:2019-01-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
6A16
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BU of 6a16 by Molmil
Crystal structure of CYP90B1 in complex with uniconazole
Descriptor: (1E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-ol, CHLORIDE ION, Cytochrome P450 90B1, ...
Authors:Fujiyama, K, Hino, T, Kanadani, M, Mizutani, M, Nagano, S.
Deposit date:2018-06-06
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural insights into a key step of brassinosteroid biosynthesis and its inhibition.
Nat.Plants, 5, 2019
6J88
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BU of 6j88 by Molmil
Crystal structure of HinD with benzo[b]thiophen analog
Descriptor: N-[(2S)-1-(1-benzothiophen-3-yl)-3-hydroxypropan-2-yl]-N~2~-methyl-L-valinamide, Nocardicin N-oxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fei, H, Mori, T, Abe, I.
Deposit date:2019-01-18
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Molecular basis for the P450-catalyzed C-N bond formation in indolactam biosynthesis.
Nat.Chem.Biol., 15, 2019
6A1H
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BU of 6a1h by Molmil
Mandelate oxidase mutant-Y128F with 5-deazariboflavin mononucleotide
Descriptor: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase
Authors:Li, T.L, Lin, K.H.
Deposit date:2018-06-07
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Acta Crystallogr D Struct Biol, 75, 2019
3IK4
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BU of 3ik4 by Molmil
CRYSTAL STRUCTURE OF mandelate racemase/muconate lactonizing protein from Herpetosiphon aurantiacus
Descriptor: GLYCEROL, Mandelate racemase/muconate lactonizing protein, POTASSIUM ION
Authors:Patskovsky, Y, Toro, R, Dickey, M, Iizuka, M, Sauder, J.M, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-08-05
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
7V8R
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BU of 7v8r by Molmil
Crystal structure of cyclohexanone monooxygenase from T. municipale mutant L437T complexed with NADP+ and FAD in space group of C2221
Descriptor: 1,2-ETHANEDIOL, Cyclohexanone Monooxygenase from Thermocrispum municipale, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Li, T, Li, G.Y, Yin, H.
Deposit date:2021-08-23
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.764 Å)
Cite:Biocatalytic Baeyer-Villiger Reactions: Uncovering the Source of Regioselectivity at Each Evolutionary Stage of a Mutant with Scrutiny of Fleeting Chiral Intermediates.
Acs Catalysis, 12, 2022
4M34
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BU of 4m34 by Molmil
Crystal structure of gated-pore mutant D138H of second DNA-Binding protein under starvation from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FE (II) ION, MAGNESIUM ION, ...
Authors:Williams, S.M, Chandran, A.V, Vijayabaskar, M.S, Roy, S, Balaram, H, Vishveshwara, S, Vijayan, M, Chatterji, D.
Deposit date:2013-08-06
Release date:2014-03-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A histidine aspartate ionic lock gates the iron passage in miniferritins from Mycobacterium smegmatis
J.Biol.Chem., 289, 2014
3EMC
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BU of 3emc by Molmil
Crystal structure of XynB, an intracellular xylanase from Paenibacillus barcinonensis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Endo-1,4-beta-xylanase
Authors:Sanz-Aparicio, J, Isorna, P, Gonzalez, B.
Deposit date:2008-09-24
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the specificity of Xyn10B from Paenibacillus barcinonensis and its improved stability by forced protein evolution.
J.Biol.Chem., 285, 2010
6AJB
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BU of 6ajb by Molmil
Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADH, alpha-ketoglutarate and ca2+
Descriptor: 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ...
Authors:Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K.
Deposit date:2018-08-27
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
4Q71
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BU of 4q71 by Molmil
Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D779W
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Proline dehydrogenase, ...
Authors:Tanner, J.J, Luo, M, Pemberton, T.A.
Deposit date:2014-04-23
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Kinetic and Structural Characterization of Tunnel-Perturbing Mutants in Bradyrhizobium japonicum Proline Utilization A.
Biochemistry, 53, 2014
3IMF
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BU of 3imf by Molmil
1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor'
Descriptor: ACETATE ION, Short chain dehydrogenase
Authors:Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Gordon, E, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-10
Release date:2009-08-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor'
To be Published
7VO8
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BU of 7vo8 by Molmil
Structure of AtHPPD complexed with LSY-1
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, N-[6-[[9-(dimethylamino)-12H-benzo[a]phenoxazin-5-yl]amino]hexyl]-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[oxidanyl(oxidanylidene)-$l^4-azanyl]benzamide
Authors:Yang, G.-F, Dong, J.
Deposit date:2021-10-12
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In vivo diagnostics of abiotic plant stress responses via in situ real-time fluorescence imaging
Plant Physiol., 190, 2022
5Y8P
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BU of 5y8p by Molmil
Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + 3-Hydroxy propionate (3-HP)
Descriptor: (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ...
Authors:Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M.
Deposit date:2017-08-21
Release date:2018-07-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Biochem. J., 475, 2018
2RN0
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BU of 2rn0 by Molmil
Micelle-embedded integrin beta3 transmembrane segment
Descriptor: Integrin beta-3
Authors:Lau, T.L, Partridge, A.W, Ginsberg, M.H, Ulmer, T.S.
Deposit date:2007-12-04
Release date:2008-03-18
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the Integrin beta3 Transmembrane Segment in Phospholipid Bicelles and Detergent Micelles
Biochemistry, 47, 2008

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