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3GZ3
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Leishmania major Dihydroorotate Dehydrogenase in complex with orotate
分子名称: Dihydroorotate dehydrogenase, putative, FLAVIN MONONUCLEOTIDE, ...
著者Cordeiro, A.T, Feliciano, P.R, Nonato, M.C.
登録日2009-04-06
公開日2010-04-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Leismania major dihydroorotate in complex with orotate
To be Published
2V28
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BU of 2v28 by Molmil
Apo structure of the cold active phenylalanine hydroxylase from Colwellia psychrerythraea 34H
分子名称: PHENYLALANINE-4-HYDROXYLASE, SULFATE ION
著者Leiros, H.-K.S, Pey, A.L, Innselset, M, Moe, E, Leiros, I, Steen, I.H, Martinez, A.
登録日2007-06-04
公開日2007-06-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure of Phenylalanine Hydroxylase from Colwellia Psychrerythraea 34H, a Monomeric Cold Active Enzyme with Local Flexibility Around the Active Site and High Overall Stability.
J.Biol.Chem., 282, 2007
2JG7
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Crystal structure of Seabream Antiquitin and Elucidation of its substrate specificity
分子名称: ANTIQUITIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Tang, W.K, Wong, K.B, Cha, S.S, Lee, H.S, Cheng, C.H.K, Fong, W.P.
登録日2007-02-09
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献The Crystal Structure of Seabream Antiquitin Reveals the Structural Basis of its Substrate Specificity.
FEBS Lett., 582, 2008
6KMA
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BU of 6kma by Molmil
Crystal structure of SucA with glycolaldehyde-1-13C from Vibrio vulnificus
分子名称: 2-oxidanylethanal, CALCIUM ION, HEXAETHYLENE GLYCOL, ...
著者Seo, P.W, Kim, J.S.
登録日2019-07-31
公開日2020-08-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.282 Å)
主引用文献Understanding the molecular properties of the E1 subunit (SucA) of alpha-ketoglutarate dehydrogenase complex from Vibrio vulnificus for the enantioselective ligation of acetaldehydes into (R)-acetoin.
Catalysis Science And Technology, 2020
6JTL
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Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
分子名称: Beta-hexosaminidase, ZINC ION
著者Chen, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of NagZ from Neisseria gonorrhoeae in complex with zinc ion
To Be Published
4PVI
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BU of 4pvi by Molmil
Crystal structure of GH62 hydrolase in complex with xylotriose
分子名称: GH62 hydrolase, PHOSPHATE ION, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Nocek, B, Kaur, A.P, Xu, X, Cui, H, Savchenko, A.
登録日2014-03-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Crystal structure of GH62 hydrolase in complex with xylotriose
TO BE PUBLISHED
6JU1
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BU of 6ju1 by Molmil
p-Hydroxybenzoate hydroxylase Y385F mutant complexed with 3,4-dihydroxybenzoate
分子名称: 3,4-DIHYDROXYBENZOIC ACID, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 4-hydroxybenzoate 3-monooxygenase, ...
著者Yato, M, Arakawa, T, Yamada, C, Fushinobu, S.
登録日2019-04-12
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Understanding the Molecular Mechanism Underlying the High Catalytic Activity ofp-Hydroxybenzoate Hydroxylase Mutants for Producing Gallic Acid.
Biochemistry, 58, 2019
6JVO
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Crystal structure of human MTH1 in complex with compound MI1022
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
3GG2
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BU of 3gg2 by Molmil
Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate
分子名称: Sugar dehydrogenase, UDP-glucose/GDP-mannose dehydrogenase family, URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID
著者Bonanno, J.B, Freeman, J, Bain, K.T, Chang, S, Sampathkumar, P, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-02-27
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of UDP-glucose 6-dehydrogenase from Porphyromonas gingivalis bound to product UDP-glucuronate
To be Published
7XQN
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InDel-mutant malate dehydrogenase from E. coli
分子名称: Malate dehydrogenase
著者Toledo-Patino, S, Laurino, P.
登録日2022-05-08
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Insertions and deletions mediated functional divergence of Rossmann fold enzymes.
Proc.Natl.Acad.Sci.USA, 119, 2022
6JVG
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BU of 6jvg by Molmil
Crystal structure of human MTH1 in complex with compound MI0639
分子名称: 5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase
著者Peng, C, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.844 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
2JIJ
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BU of 2jij by Molmil
Crystal structure of the apo form of Chlamydomonas reinhardtii prolyl- 4 hydroxylase type I
分子名称: CHLORIDE ION, PROLYL-4 HYDROXYLASE
著者Koski, M.K, Hieta, R, Bollner, C, Kivirikko, K.I, Myllyharju, J, Wierenga, R.K.
登録日2007-06-28
公開日2007-10-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Active Site of an Algal Prolyl 4-Hydroxylase Has a Large Structural Plasticity.
J.Biol.Chem., 282, 2007
3GHH
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BU of 3ghh by Molmil
Structural insights into the catalytic mechanism of CD38: Evidence for a conformationally flexible covalent enzyme-substrate complex.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ecto-NAD+ glycohydrolase (CD38 molecule), SULFATE ION, ...
著者Egea, P.F, Muller-Steffner, H, Stroud, R.M, Oppenheimer, N.J, Kellenberger, E, Schuber, F.
登録日2009-03-03
公開日2010-03-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Insights into the mechanism of bovine CD38/NAD+glycohydrolase from the X-ray structures of its Michaelis complex and covalently-trapped intermediates.
Plos One, 7, 2012
2V8I
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BU of 2v8i by Molmil
Structure of a Family 2 Pectate Lyase in a Native Form
分子名称: IODIDE ION, PECTATE LYASE
著者Abbott, D.W, Boraston, A.B.
登録日2007-08-08
公開日2007-09-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Family 2 Pectate Lyase Displays a Rare Fold and Transition Metal-Assisted -Elimination.
J.Biol.Chem., 282, 2007
6JVQ
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BU of 6jvq by Molmil
Crystal structure of human MTH1 in complex with compound MI1025
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
著者Peng, C, Li, Y.H, Cheng, Y.S.
登録日2019-04-17
公開日2020-10-28
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6CIW
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BU of 6ciw by Molmil
Hen Egg White Lysozyme Cocrystallized with 1,3-Di(2-pyridyl)propane
分子名称: 2,2'-(propane-1,3-diyl)dipyridine, Lysozyme C
著者Morris, D.M, Ziegler, C.J.
登録日2018-02-25
公開日2019-01-02
最終更新日2019-01-09
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Inhibition of lysozyme's polymerization activity using a polymer structural mimic
Polym Chem, 9, 2018
4Q0R
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BU of 4q0r by Molmil
The catalytic core of Rad2 (complex I)
分子名称: DNA (5'-D(*CP*TP*GP*AP*GP*TP*CP*AP*GP*AP*GP*CP*AP*AP*A)-3'), DNA repair protein RAD2
著者Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M.
登録日2014-04-02
公開日2014-08-27
最終更新日2017-08-09
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding.
Nucleic Acids Res., 42, 2014
4Q0Z
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BU of 4q0z by Molmil
The catalytic core of Rad2 in complex with DNA substrate (complex III)
分子名称: CALCIUM ION, DNA (5'-D(*TP*CP*TP*GP*AP*GP*AP*CP*AP*AP*GP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*TP*GP*CP*TP*CP*CP*CP*TP*TP*GP*TP*CP*TP*CP*AP*GP*T)-3'), ...
著者Mietus, M, Nowak, E, Jaciuk, M, Kustosz, P, Nowotny, M.
登録日2014-04-02
公開日2014-08-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Crystal structure of the catalytic core of Rad2: insights into the mechanism of substrate binding.
Nucleic Acids Res., 42, 2014
7YI7
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BU of 7yi7 by Molmil
Crystal structure of Human HPSE1 in complex with inhibitor
分子名称: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
著者Mima, M, Fujimoto, N, Imai, Y.
登録日2022-07-15
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
6CIO
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BU of 6cio by Molmil
Pyruvate:ferredoxin oxidoreductase from Moorella thermoacetica with lactyl-TPP bound
分子名称: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
著者Chen, P.Y.-T, Drennan, C.L.
登録日2018-02-24
公開日2018-03-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.003 Å)
主引用文献Binding site for coenzyme A revealed in the structure of pyruvate:ferredoxin oxidoreductase fromMoorella thermoacetica.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7YJC
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Crystal structure of Human HPSE1 in complex with inhibitor
分子名称: (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, Heparanase 50 kDa subunit, Heparanase 8 kDa subunit
著者Mima, M, Fujimoto, N, Imai, Y.
登録日2022-07-19
公開日2022-12-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Lead identification of novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid derivative as a potent heparanase-1 inhibitor.
Bioorg.Med.Chem.Lett., 79, 2022
6CJF
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Human dihydroorotate dehydrogenase bound to 4-quinoline carboxylic acid inhibitor 43
分子名称: 2-[4-(2-chloro-6-methylpyridin-3-yl)phenyl]-6-fluoro-3-methylquinoline-4-carboxylic acid, 3-[decyl(dimethyl)ammonio]propane-1-sulfonate, Dihydroorotate dehydrogenase (quinone), ...
著者Petrunak, E.M, Stuckey, J.A.
登録日2018-02-26
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Design, Synthesis, and Biological Evaluation of 4-Quinoline Carboxylic Acids as Inhibitors of Dihydroorotate Dehydrogenase.
J. Med. Chem., 61, 2018
7XQM
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InDel-mutant short chain Dehydrogenase bound to SAH
分子名称: Dehydrogenase, S-ADENOSYL-L-HOMOCYSTEINE
著者Toledo-Patino, S, Laurino, P.
登録日2022-05-08
公開日2022-12-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Insertions and deletions mediated functional divergence of Rossmann fold enzymes.
Proc.Natl.Acad.Sci.USA, 119, 2022
4PZ2
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BU of 4pz2 by Molmil
Structure of Zm ALDH2-6 (RF2F) in complex with NAD
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2014-03-28
公開日2015-03-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.
Biochem.J., 468, 2015
4Q3M
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Crystal structure of MGS-M4, an aldo-keto reductase enzyme from a Medee basin deep-sea metagenome library
分子名称: MGS-M4, SODIUM ION, SULFATE ION
著者Stogios, P.J, Xu, X, Cui, H, Alcaide, M, Ferrer, M, Savchenko, A.
登録日2014-04-11
公開日2015-02-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.552 Å)
主引用文献Pressure adaptation is linked to thermal adaptation in salt-saturated marine habitats.
Environ Microbiol, 17, 2015

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