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2YML
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BU of 2yml by Molmil
Native L-haloacid dehalogenase from a Rhodobacteraceae family bacterium
Descriptor: L-HALOACID DEHALOGENASE
Authors:Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A.
Deposit date:2012-10-09
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water.
FEBS J., 280, 2013
2CVO
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BU of 2cvo by Molmil
Crystal structure of putative N-acetyl-gamma-glutamyl-phosphate reductase (AK071544) from rice (Oryza sativa)
Descriptor: putative Semialdehyde dehydrogenase
Authors:Nonaka, T, Kita, A, Miura-Ohnuma, J, Katoh, E, Inagaki, N, Yamazaki, T, Miki, K.
Deposit date:2005-06-10
Release date:2005-12-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of putative N-acetyl-gamma-glutamyl-phosphate reductase (AK071544) from rice (Oryza sativa)
Proteins, 61, 2005
2CVQ
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BU of 2cvq by Molmil
Crystal structure of NAD(H)-dependent malate dehydrogenase complexed with NADPH
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Malate dehydrogenase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Tomita, T, Fushinobu, S, Kuzuyama, T, Nishiyama, M.
Deposit date:2005-06-13
Release date:2005-08-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Crystal structure of NAD-dependent malate dehydrogenase complexed with NADP(H)
Biochem.Biophys.Res.Commun., 334, 2005
2YPR
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BU of 2ypr by Molmil
Crystal structure of the DNA binding ETS domain of human protein FEV
Descriptor: GLYCEROL, PROTEIN FEV
Authors:Allerston, C.K, Cooper, C, Vollmar, M, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
Deposit date:2012-10-31
Release date:2013-01-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation.
J.Biol.Chem., 290, 2015
1NVF
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BU of 1nvf by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+, ADP and carbaphosphonate
Descriptor: 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
4IU0
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BU of 4iu0 by Molmil
Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABH
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase, GLYCEROL, ...
Authors:D'Antonio, E.L, Ullman, B, Roberts, S.C, Gaur Dixit, U, Wilson, M.E, Hai, Y, Christianson, D.W.
Deposit date:2013-01-19
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of arginase from Leishmania mexicana and implications for the inhibition of polyamine biosynthesis in parasitic infections.
Arch.Biochem.Biophys., 535, 2013
2YBJ
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BU of 2ybj by Molmil
Nitrate X-ray induced reduction on HEWL crystals (12.31 MGy)
Descriptor: LYSOZYME C, NITRITE ION
Authors:De la Mora, E, Carmichael, I, Garman, E.F.
Deposit date:2011-03-08
Release date:2011-07-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Effective Scavenging at Cryotemperatures: Further Increasing the Dose Tolerance of Protein Crystals.
J.Synchrotron.Radiat., 18, 2011
4EVD
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BU of 4evd by Molmil
Crystal Structure HP-NAP from strain YS29 cadmium loaded (Cocrystallization 50mM)
Descriptor: CADMIUM ION, Neutrophil-activating protein
Authors:Yokoyama, H, Tsuruta, O, Akao, N, Fujii, S.
Deposit date:2012-04-26
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Helicobacter pylori neutrophil-activating protein with a di-nuclear ferroxidase center in a zinc or cadmium-bound form
Biochem.Biophys.Res.Commun., 422, 2012
3ZZN
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BU of 3zzn by Molmil
5-Mutant (R79W, R151A, E279A, E299A,E313A) Lactate-Dehydrogenase from Thermus thermophillus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, LACTATE DEHYDROGENASE
Authors:Colletier, J.P, Mraihi, S, Madern, D.
Deposit date:2011-09-02
Release date:2012-02-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Sampling the conformational energy landscape of a hyperthermophilic protein by engineering key substitutions.
Mol. Biol. Evol., 29, 2012
4IV6
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BU of 4iv6 by Molmil
X-ray crystal structure of an isovaleryl-CoA dehydrogenase from Mycobacterium smegmatis
Descriptor: Acyl-CoA dehydrogenase FadE3, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-22
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3ZOH
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BU of 3zoh by Molmil
Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound 1-Cyclohex-2-enone
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, cyclohex-2-en-1-one
Authors:Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K.
Deposit date:2013-02-21
Release date:2014-05-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations.
Nat.Commun., 5, 2014
3ZQA
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BU of 3zqa by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE MUTANT C286A FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH NADPH
Descriptor: 1,2-ETHANEDIOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, BETAINE ALDEHYDE DEHYDROGENASE, ...
Authors:Diaz-Sanchez, A.G, Gonzalez-Segura, L, Rudino-Pinera, E, Lira-Rocha, A, Torres-Larios, A, Munoz-Clares, R.A.
Deposit date:2011-06-08
Release date:2011-10-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Novel Nadph-Cysteine Covalent Adduct Found in the Active Site of an Aldehyde Dehydrogenase.
Biochem.J., 439, 2011
4I3X
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BU of 4i3x by Molmil
Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetate and cofactor NAD+
Descriptor: Aldehyde dehydrogenase (NAD+), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHONOACETIC ACID
Authors:Nair, S.K, Agarwal, V.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure and function of phosphonoacetaldehyde dehydrogenase: the missing link in phosphonoacetate formation.
Chem.Biol., 21, 2014
4EY1
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BU of 4ey1 by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
2YIK
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BU of 2yik by Molmil
Catalytic domain of Clostridium thermocellum CelT
Descriptor: CALCIUM ION, ENDOGLUCANASE, ZINC ION
Authors:Tsai, J.-Y, Kesavulu, M.M, Hsiao, C.-D.
Deposit date:2011-05-16
Release date:2012-02-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the Catalytic Domain of the Clostridium Thermocellum Cellulase Celt
Acta Crystallogr.,Sect.D, 68, 2012
1OA7
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BU of 1oa7 by Molmil
Structure of Melanocarpus albomyces endoglucanase in complex with cellobiose
Descriptor: CELLULASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Hirvonen, M, Papageorgiou, A.C.
Deposit date:2003-01-02
Release date:2003-05-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of a Family 45 Endoglucanase from Melanocarpus Albomyces: Mechanistic Implications Based on the Free and Cellobiose-Bound Forms
J.Mol.Biol., 329, 2003
2CHO
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BU of 2cho by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity
Descriptor: ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ...
Authors:Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
Deposit date:2006-03-16
Release date:2006-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
4I7L
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BU of 4i7l by Molmil
T4 Lysozyme L99A/M102H with phenol bound
Descriptor: 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
J.Med.Chem., 56, 2013
1NVB
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BU of 1nvb by Molmil
Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and carbaphosphonate
Descriptor: 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K.
Deposit date:2003-02-03
Release date:2003-03-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase
J.MOL.BIOL., 327, 2003
4HXQ
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BU of 4hxq by Molmil
Crystal structure of human Arginase-1 complexed with inhibitor 14
Descriptor: Arginase-1, MANGANESE (II) ION, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)
Authors:Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Whitehouse, D.L, Golebiowski, A, Ji, M, Zhang, M, Beckett, P, Sheeler, R, Andreoli, M, Conway, B, Mahboubi, K, Schroeter, H, Van Zandt, M.C, Podjarny, A.
Deposit date:2012-11-12
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Discovery of (R)-2-Amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic Acid and Congeners As Highly Potent Inhibitors of Human Arginases I and II for Treatment of Myocardial Reperfusion Injury.
J.Med.Chem., 56, 2013
4EUE
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BU of 4eue by Molmil
Crystal structure of Clostridium acetobutulicum trans-2-enoyl-CoA reductase in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Putative reductase CA_C0462, SODIUM ION
Authors:Hu, K, Zhao, M, Zhang, T, Yang, S, Ding, J.
Deposit date:2012-04-25
Release date:2012-11-28
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of trans-2-enoyl-CoA reductases from Clostridium acetobutylicum and Treponema denticola: insights into the substrate specificity and the catalytic mechanism
Biochem.J., 449, 2013
3ZGJ
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BU of 3zgj by Molmil
S221M V223F Y359A mutant of 4-Hydroxymandelate synthase from Streptomyces coelicolor
Descriptor: (R)-MANDELIC ACID, 4-HYDROXYPHENYLPYRUVIC ACID DIOXYGENASE, COBALT (II) ION
Authors:Pratter, S, Straganz, G, Grogan, G.
Deposit date:2012-12-18
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inversion of Enantioselectivity of a Mononuclear Non-Heme Iron(II)-Dependent Hydroxylase by Tuning the Interplay of Metal Center Geometry and Protein Structure
Angew.Chem.Int.Ed.Engl., 52, 2013
4HZ6
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BU of 4hz6 by Molmil
crystal structure of BglB
Descriptor: Beta-glucosidase, GLYCEROL
Authors:Hwang, K.Y, Nam, K.H.
Deposit date:2012-11-14
Release date:2012-12-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural insights into the substrate recognition properties of beta-glucosidase.
Biochem.Biophys.Res.Commun., 391, 2010
3ZJ8
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BU of 3zj8 by Molmil
Crystal structure of strictosidine glucosidase in complex with inhibitor-2
Descriptor: (1R,2S,3S,4R,5R)-4-[(4-bromophenyl)methylamino]-5-(hydroxymethyl)cyclopentane-1,2,3-triol, STRICTOSIDINE-O-BETA-D-GLUCOSIDASE
Authors:Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J.
Deposit date:2013-01-17
Release date:2014-02-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours.
J.Enzyme.Inhib.Med.Chem., 30, 2015
2YMQ
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BU of 2ymq by Molmil
Chloropropionic acid complex bound L-haloacid dehalogenase from a Rhodobacteraceae family bacterium
Descriptor: L-HALOACID DEHALOGENASE
Authors:Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A.
Deposit date:2012-10-10
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water.
FEBS J., 280, 2013

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