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4KEV
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BU of 4kev by Molmil
Crystal structure of SsoPox W263L
分子名称: Aryldialkylphosphatase, COBALT (II) ION, FE (II) ION
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2013-11-20
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
6IK8
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BU of 6ik8 by Molmil
Crystal structure of tomato beta-galactosidase (TBG) 4 in complex with beta-1,6-galactobiose
分子名称: 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, ...
著者Matsuyama, K, Nakae, S, Igarashi, K, Tada, T, Ishimaru, M.
登録日2018-10-15
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Substrate-recognition mechanism of tomato beta-galactosidase 4 using X-ray crystallography and docking simulation.
Planta, 252, 2020
3HVS
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BU of 3hvs by Molmil
Escherichia coli Thiol peroxidase (Tpx) wild type disulfide form
分子名称: CITRIC ACID, Thiol peroxidase
著者Hall, A, Karplus, P.A.
登録日2009-06-16
公開日2009-10-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural changes common to catalysis in the Tpx peroxiredoxin subfamily.
J.Mol.Biol., 393, 2009
3CZJ
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BU of 3czj by Molmil
E. COLI (lacZ) BETA-GALACTOSIDASE (N460T) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE
分子名称: Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ...
著者Huber, R.E, Dugdale, M.L, Fraser, M.E, Tammam, S.D.
登録日2008-04-29
公開日2009-04-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Practical Considerations When Using Temperature to Obtain Rate Constants and Activation Thermodynamics of Enzymes with Two Catalytic Steps: Native and N460T-beta-Galactosidase (E. coli) as Examples.
Protein J., 28, 2009
6G72
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BU of 6g72 by Molmil
Mouse mitochondrial complex I in the deactive state
分子名称: ACETYL GROUP, ADENOSINE-5'-DIPHOSPHATE, Acyl carrier protein, ...
著者Agip, A.N.A, Blaza, J.N, Bridges, H.R, Viscomi, C, Rawson, S, Muench, S.P, Hirst, J.
登録日2018-04-04
公開日2018-06-06
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM structures of complex I from mouse heart mitochondria in two biochemically defined states.
Nat. Struct. Mol. Biol., 25, 2018
6C7P
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BU of 6c7p by Molmil
Crystal structure of D477G ACO/RPE65 chimera, monoclinic crystal form
分子名称: Apocarotenoid-15,15'-oxygenase, FE (II) ION
著者Kiser, P.D, Shi, W.
登録日2018-01-23
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
2GC2
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BU of 2gc2 by Molmil
The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex with Fructose 6-phosphate and zinc
分子名称: FRUCTOSE -6-PHOSPHATE, Glucose-6-phosphate isomerase, ZINC ION
著者Berrisford, J.M, Rice, D.W, Baker, P.J.
登録日2006-03-13
公開日2006-04-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Evidence Supporting a cis-enediol-based Mechanism for Pyrococcus furiosus Phosphoglucose Isomerase
J.Mol.Biol., 358, 2006
2GDZ
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BU of 2gdz by Molmil
Crystal structure of 15-hydroxyprostaglandin dehydrogenase type1, complexed with NAD+
分子名称: NAD+-dependent 15-hydroxyprostaglandin dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Pilka, E.S, Guo, K, Kavanagh, K, Von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2006-03-17
公開日2006-04-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-Affinity Inhibitors of Human NAD-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships.
Plos One, 5, 2010
6FSJ
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BU of 6fsj by Molmil
Crystal structure of TCE-treated Lysozyme
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Lysozyme C
著者Pichlo, C, Baumann, U.
登録日2018-02-19
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6IH5
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BU of 6ih5 by Molmil
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
分子名称: Phosphite dehydrogenase, [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
著者Song, X, Feng, Y, Liu, Y, Zhao, Z.
登録日2018-09-28
公開日2019-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.468 Å)
主引用文献Structural Insights into Phosphite Dehydrogenase Variants Favoring a Non-natural Redox Cofactor
Acs Catalysis, 9, 2019
6IMR
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BU of 6imr by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMZ
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BU of 6imz by Molmil
Crystal structure of MTH1 in complex with 18-Crown-6
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-dihydro-8-oxoguanine triphosphatase, ...
著者Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M.
登録日2018-10-24
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
4TNI
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BU of 4tni by Molmil
RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K.
登録日2014-06-04
公開日2014-07-09
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
7RCV
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BU of 7rcv by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
分子名称: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Gisriel, C.J, Brudvig, G.W.
登録日2021-07-08
公開日2021-12-29
最終更新日2022-01-05
実験手法ELECTRON MICROSCOPY (2.01 Å)
主引用文献High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
7X1R
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BU of 7x1r by Molmil
Cryo-EM structure of human thioredoxin reductase bound by Au
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, Thioredoxin reductase 1, ...
著者He, Z.S, Cao, P, Cao, S.H, He, B, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2022-02-24
公開日2022-12-14
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Au4 cluster inhibits human thioredoxin reductase activity via specifically binding of Au to Cys189
Nano Today, 47, 2022
2H7S
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BU of 2h7s by Molmil
L244A mutant of Cytochrome P450cam
分子名称: Cytochrome P450-cam, HEME C
著者Verras, A, Alian, A, Montellano, P.R.
登録日2006-06-02
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Cytochrome P450 active site plasticity: attenuation of imidazole binding in cytochrome P450cam by an L244A mutation.
Protein Eng.Des.Sel., 19, 2006
5Z20
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BU of 5z20 by Molmil
The ternary structure of D-lactate dehydrogenase from Pseudomonas aeruginosa with NADH and oxamate
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, D-lactate dehydrogenase (Fermentative), DI(HYDROXYETHYL)ETHER, ...
著者Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H.
登録日2017-12-28
公開日2018-09-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria.
Biochemistry, 57, 2018
6BSN
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BU of 6bsn by Molmil
Structure of proline utilization A (PutA) with proline bound in remote sites
分子名称: Bifunctional protein PutA, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, PROLINE, ...
著者Tanner, J.J, Korasick, D.A.
登録日2017-12-04
公開日2018-01-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural Basis for the Substrate Inhibition of Proline Utilization A by Proline.
Molecules, 23, 2017
5Z3C
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BU of 5z3c by Molmil
Glycosidase E178A
分子名称: GLYCEROL, Glycoside hydrolase 15-related protein
著者Tanaka, Y, Chen, M, Tagami, T, Yao, M, Kimura, A.
登録日2018-01-05
公開日2019-05-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural insights reveal the second base catalyst of isomaltose glucohydrolase.
Febs J., 289, 2022
6GBK
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BU of 6gbk by Molmil
Repertoires of functionally diverse enzymes through computational design at epistatic active-site positions
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Parathion hydrolase, ...
著者Khersonsky, O, Lipsh, R, Avizemer, Z, Goldsmith, M, Ashani, Y, Leader, H, Dym, O, Rogotner, S, Trudeau, D, Tawfik, D.S, Fleishman, S.J.
登録日2018-04-15
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Automated Design of Efficient and Functionally Diverse Enzyme Repertoires.
Mol. Cell, 72, 2018
6C35
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BU of 6c35 by Molmil
Mycobacterium smegmatis flap endonuclease mutant D148N
分子名称: 5'-3' exonuclease, MANGANESE (II) ION
著者Shuman, S, Goldgur, Y, Carl, A, Uson, M.L.
登録日2018-01-09
公開日2018-03-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Crystal structure and mutational analysis of Mycobacterium smegmatis FenA highlight active site amino acids and three metal ions essential for flap endonuclease and 5' exonuclease activities.
Nucleic Acids Res., 46, 2018
3FGE
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BU of 3fge by Molmil
Crystal structure of putative flavin reductase with split barrel domain (YP_750721.1) from SHEWANELLA FRIGIDIMARINA NCIMB 400 at 1.74 A resolution
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, putative flavin reductase with split barrel domain
著者Joint Center for Structural Genomics (JCSG)
登録日2008-12-05
公開日2008-12-30
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of putative flavin reductase with split barrel domain (YP_750721.1) from SHEWANELLA FRIGIDIMARINA NCIMB 400 at 1.74 A resolution
To be published
7RM9
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BU of 7rm9 by Molmil
Human Malate Dehydrogenase I (MDHI)
分子名称: MALONATE ION, Malate dehydrogenase, cytoplasmic
著者McCue, W, Finzel, B.C.
登録日2021-07-27
公開日2022-01-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structural Characterization of the Human Cytosolic Malate Dehydrogenase I.
Acs Omega, 7, 2022
6C3J
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BU of 6c3j by Molmil
The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4
分子名称: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
著者Coleman, T, Bruning, J.B, Bell, S.G.
登録日2018-01-09
公開日2019-01-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献The crystal structure of 4-(thiophen-3-yl)benzoate-bound CYP199A4
To Be Published
6IMB
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BU of 6imb by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.549 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019

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