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4HK9
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BU of 4hk9 by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
Descriptor: Endo-1,4-beta-xylanase 2, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
3A6C
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BU of 3a6c by Molmil
Crystal Structure of HyHEL-10 Fv mutant LN92D complexed with hen egg white lysozyme
Descriptor: IG VH, anti-lysozyme, Lysozyme C, ...
Authors:Yokota, A, Tsumoto, K, Shiroishi, M, Nakanishi, T, Kondo, H, Kumagai, I.
Deposit date:2009-08-28
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of asparagine residues to the stabilization of a proteinaceous antigen-antibody complex, HyHEL-10-hen egg white lysozyme
J.Biol.Chem., 285, 2010
3V7P
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BU of 3v7p by Molmil
Crystal structure of amidohydrolase nis_0429 (target efi-500396) from Nitratiruptor sp. sb155-2
Descriptor: Amidohydrolase family protein, BENZOIC ACID, BICARBONATE ION, ...
Authors:Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
Deposit date:2011-12-21
Release date:2012-01-11
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of Amidohydrolase Nis_0429 (Target Efi-500319) from Nitratiruptor Sp. Sb155-2
To be Published
1N82
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BU of 1n82 by Molmil
The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus
Descriptor: GLYCEROL, SODIUM ION, intra-cellular xylanase
Authors:Solomon, V, Teplitsky, A, Golan, G, Gilboa, R, Reiland, V, Shulami, S, Moryles, S, Zolotnitsky, G, Shoham, Y, Shoham, G.
Deposit date:2002-11-19
Release date:2003-11-25
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The high-resolution crystal structure of IXT6, a thermophilic, intracellular xylanase from G. stearothermophilus
To be Published
3V8D
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BU of 3v8d by Molmil
Crystal structure of human CYP7A1 in complex with 7-ketocholesterol
Descriptor: (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cholesterol 7-alpha-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Strushkevich, N, Tempel, W, MacKenzie, F, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-12-22
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human CYP7A1 in complex with 7-ketocholesterol
To be Published
2BQL
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BU of 2bql by Molmil
CONTRIBUTION OF HYDROPHOBIC EFFECT TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Yutani, K.
Deposit date:1998-05-21
Release date:1998-08-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A general rule for the relationship between hydrophobic effect and conformational stability of a protein: stability and structure of a series of hydrophobic mutants of human lysozyme.
J.Mol.Biol., 280, 1998
4DUP
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BU of 4dup by Molmil
Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
Descriptor: quinone oxidoreductase
Authors:Kumaran, D, Rice, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2012-02-22
Release date:2012-03-07
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
To be Published
4I4B
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BU of 4i4b by Molmil
HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA
Descriptor: (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, (3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, ...
Authors:Stauffacher, C.V, Steussy, C.N, Critchelow, C.J, Schmidt, T, Min, J, Wrensford, L.V, Burgner, J.W, Rodwell, V.W.
Deposit date:2012-11-27
Release date:2013-07-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
3VAZ
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BU of 3vaz by Molmil
Crystal structure of Staphylococcal GAPDH1 in a hexagonal space group
Descriptor: (2R)-2,3-DIHYDROXYPROPANOIC ACID, Glyceraldehyde-3-phosphate dehydrogenase 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Roychowdhury, A, Mukherjee, S, Dutta, D, Das, A.K.
Deposit date:2011-12-30
Release date:2013-01-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Crystal structure of Staphylococcal GAPDH1 in a hexagonal space group
To be Published
3AC0
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BU of 3ac0 by Molmil
Crystal structure of Beta-glucosidase from Kluyveromyces marxianus in complex with glucose
Descriptor: Beta-glucosidase I, beta-D-glucopyranose
Authors:Yoshida, E, Hidaka, M, Fushinobu, S, Katayama, T, Kumagai, H.
Deposit date:2009-12-25
Release date:2010-08-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Role of a PA14 domain in determining substrate specificity of a glycoside hydrolase family 3 beta-glucosidase from Kluyveromyces marxianus.
Biochem.J., 431, 2010
4I56
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BU of 4i56 by Molmil
HMG-CoA reductase from pseudomonas mevalonii complexed with dithio-HMG-coa
Descriptor: (3S,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, GLYCEROL, ...
Authors:Steussy, C.N, Stauffacher, C.V, Schmidt, T, Crichelow, C.J, Rodwell, V.W, Wrensford, L.V, Min, J, Burgner II, J.W.
Deposit date:2012-11-28
Release date:2013-07-17
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Novel Role for Coenzyme A during Hydride Transfer in 3-Hydroxy-3-methylglutaryl-coenzyme A Reductase.
Biochemistry, 52, 2013
3ADO
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BU of 3ado by Molmil
Crystal Structure of the Rabbit L-Gulonate 3-Dehydrogenase
Descriptor: Lambda-crystallin
Authors:Asada, Y, Hara, A, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2010-01-26
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of the Rabbit L-Gulonate 3-Dehydrogenase
To be Published
3VD4
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BU of 3vd4 by Molmil
E. coli (lacZ) beta-galactosidase (N460D) in complex with IPTG
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Wheatley, R.W, Kappelhoff, J.C, Hahn, J.N, Dugdale, M.L, Dutkoski, M.J, Tamman, S.D, Fraser, M.E, Huber, R.E.
Deposit date:2012-01-04
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substitution for Asn460 cripples {beta}-galactosidase (Escherichia coli) by increasing substrate affinity and decreasing transition state stability.
Arch.Biochem.Biophys., 521, 2012
3AED
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BU of 3aed by Molmil
Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
Descriptor: 2-iodo-N-phenylbenzamide, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K.
Deposit date:2010-02-04
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.52 Å)
Cite:Crystal structure of porcine heart mitochondrial complex II bound with 2-Iodo-N-phenyl-benzamide
To be Published
4I7R
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BU of 4i7r by Molmil
T4 Lysozyme L99A/M102H with 2-(pyrazolo-1-yl) ethanol bound
Descriptor: 2-(1H-pyrazol-1-yl)ethanol, 2-HYDROXYETHYL DISULFIDE, ACETATE ION, ...
Authors:Merski, M, Shoichet, B.K.
Deposit date:2012-11-30
Release date:2013-03-27
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
3A23
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BU of 3a23 by Molmil
Crystal Structure of beta-L-Arabinopyranosidase complexed with D-galactose
Descriptor: 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Fujimoto, Z, Ichinose, H, Kaneko, S.
Deposit date:2009-04-27
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A beta-l-Arabinopyranosidase from Streptomyces avermitilis is a novel member of glycoside hydrolase family 27.
J.Biol.Chem., 284, 2009
4I0P
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BU of 4i0p by Molmil
HLA-DO in complex with HLA-DM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Guce, A.I, Mortimer, S.E, Stern, L.J.
Deposit date:2012-11-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:HLA-DO acts as a substrate mimic to inhibit HLA-DM by a competitive mechanism.
Nat.Struct.Mol.Biol., 20, 2013
4DZ5
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BU of 4dz5 by Molmil
W227F active site mutant of AKR1C3
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Aldo-keto reductase family 1 member C3, ...
Authors:Squire, C.J, Yosaatmadja, Y, Flanagan, J.U.
Deposit date:2012-02-29
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Validating PR-104A binding to AKR1C3
To be Published
4I1I
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BU of 4i1i by Molmil
Crystal structure of a putative Cytosolic malate dehydrogenase from Leishmania major Friedlin in complex with NAD
Descriptor: 1,2-ETHANEDIOL, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-11-21
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a putative Cytosolic malate dehydrogenase from Leishmania major Friedlin in complex with NAD
TO BE PUBLISHED
3A45
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BU of 3a45 by Molmil
Crystal structure of MvNei1_2
Descriptor: Formamidopyrimidine-DNA glycosylase, POTASSIUM ION
Authors:Imamura, K, Wallace, S, Doublie, S.
Deposit date:2009-06-30
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Characterization of a Viral NEIL1 Ortholog Unliganded and Bound to Abasic Site-containing DNA
J.Biol.Chem., 284, 2009
1WZZ
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BU of 1wzz by Molmil
Structure of endo-beta-1,4-glucanase CMCax from Acetobacter xylinum
Descriptor: Probable endoglucanase, SULFATE ION
Authors:Yasutake, Y, Kawano, S, Tajima, K, Yao, M, Satoh, Y, Munekata, M, Tanaka, I, Structural Genomics Consortium (SGC)
Deposit date:2005-03-10
Release date:2006-03-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural characterization of the Acetobacter xylinum endo-beta-1,4-glucanase CMCax required for cellulose biosynthesis.
Proteins, 64, 2006
2BNO
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BU of 2bno by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis.
Descriptor: EPOXIDASE, MERCURY (II) ION, SULFATE ION, ...
Authors:McLuskey, K, Cameron, S, Hunter, W.N.
Deposit date:2005-03-29
Release date:2005-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
2BEU
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BU of 2beu by Molmil
Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch
Descriptor: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE, ...
Authors:Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T.
Deposit date:2004-11-30
Release date:2006-02-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase.
Structure, 14, 2006
3VGG
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BU of 3vgg by Molmil
Crystal structure of glycosyltrehalose trehalohydrolase (E283Q) complexed with maltoheptaose
Descriptor: CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase, ...
Authors:Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R.
Deposit date:2011-08-09
Release date:2012-06-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
2BGK
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BU of 2bgk by Molmil
X-Ray structure of apo-Secoisolariciresinol Dehydrogenase
Descriptor: RHIZOME SECOISOLARICIRESINOL DEHYDROGENASE
Authors:Youn, B, Moinuddin, S.G, Davin, L.B, Lewis, N.G, Kang, C.
Deposit date:2004-12-23
Release date:2005-01-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of Apo-Form and Binary/Ternary Complexes of Podophyllum Secoisolariciresinol Dehydrogenase, an Enzyme Involved in Formation of Health-Protecting and Plant Defense Lignans
J.Biol.Chem., 280, 2005

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