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5CIE
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BU of 5cie by Molmil
Complex of yeast cytochrome c peroxidase (W191G) bound to aniline with iso-1 cytochrome c
分子名称: ANILINE, Cytochrome c iso-1, Cytochrome c peroxidase, ...
著者Crane, B.R, Payne, T.M.
登録日2015-07-12
公開日2016-08-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Constraints on the Radical Cation Center of Cytochrome c Peroxidase for Electron Transfer from Cytochrome c.
Biochemistry, 55, 2016
6ZZX
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BU of 6zzx by Molmil
Structure of low-light grown Chlorella ohadii Photosystem I
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (3R)-beta,beta-caroten-3-ol, ...
著者Caspy, I, Nelson, N, Nechushtai, R, Neumann, E, Shkolnisky, Y.
登録日2020-08-05
公開日2021-07-28
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
5GGI
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BU of 5ggi by Molmil
Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Mn, UDP and Mannosyl-peptide
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1, ...
著者Kuwabara, N, Senda, T, Kato, R.
登録日2016-06-16
公開日2016-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
6DK0
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BU of 6dk0 by Molmil
Human sigma-1 receptor bound to NE-100
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ...
著者Schmidt, H.R, Kruse, A.C.
登録日2018-05-28
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
5MOL
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BU of 5mol by Molmil
Human IgE-Fc crystal structure
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
4PZJ
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BU of 4pzj by Molmil
1.60 Angstrom resolution crystal structure of a transcriptional regulator of the LysR family from Eggerthella lenta DSM 2243
分子名称: CHLORIDE ION, Transcriptional regulator, LysR family
著者Halavaty, A.S, Filippova, E.V, Minasov, G, Kiryukhina, O, Endres, M, Shuvalova, L, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
登録日2014-03-31
公開日2014-04-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献1.60 Angstrom resolution crystal structure of a transcriptional regulator of the LysR family from Eggerthella lenta DSM 2243
To be Published
7DBK
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BU of 7dbk by Molmil
Crystal structure of human LDHB in complex with NADH
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain
著者Sogabe, S, Miwa, M.
登録日2020-10-20
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
6A9O
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BU of 6a9o by Molmil
Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis
分子名称: 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ...
著者Manjula, R, Padmanabhan, B.
登録日2018-07-14
公開日2019-07-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis.
J.Biomol.Struct.Dyn., 37, 2019
3SZL
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BU of 3szl by Molmil
IspH:Ligand Mutants - wt 70sec
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER
著者Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M.
登録日2011-07-19
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
5TJZ
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BU of 5tjz by Molmil
Structure of 4-Hydroxytetrahydrodipicolinate Reductase from Mycobacterium tuberculosis with NADPH and 2,6 Pyridine Dicarboxylic Acid
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 4-hydroxy-tetrahydrodipicolinate reductase, ...
著者Mank, N.J, Arnette, A.K, Klapper, V, Chruszcz, M.
登録日2016-10-05
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
5MOK
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BU of 5mok by Molmil
Crystal structure of human IgE-Fc epsilon 3-4
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ...
著者Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-12-14
公開日2018-01-10
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
6K33
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BU of 6k33 by Molmil
Structure of PSI-isiA supercomplex from Thermosynechococcus vulcanus
分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
著者Akita, F, Nagao, R, Kato, K, Shen, J.R, Miyazaki, N.
登録日2019-05-16
公開日2020-05-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Structure of a cyanobacterial photosystem I surrounded by octadecameric IsiA antenna proteins.
Commun Biol, 3, 2020
6T0J
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BU of 6t0j by Molmil
Crystal structure of CYP124 in complex with SQ109
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ...
著者Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V.
登録日2019-10-03
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
1WNN
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BU of 1wnn by Molmil
NMR structure of fmbp-1 tandem repeat 4 in 30%(v/v) TFE solution
分子名称: FIBROIN-MODULATOR BINDING-PROTEIN-1
著者Yamaki, T, Kawaguchi, K, Aizawa, T, Takiya, S, Demura, M, Nitta, K.
登録日2004-08-06
公開日2005-08-16
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR structure of FMBP-1 tandem repeat 4 in 30%(v/v) TFE solution
To be Published
1X0R
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BU of 1x0r by Molmil
Thioredoxin Peroxidase from Aeropyrum pernix K1
分子名称: 1,2-ETHANEDIOL, Probable peroxiredoxin
著者Nakamura, T, Yamamoto, T, Inoue, T, Matsumura, H, Kobayashi, A, Hagihara, Y, Uegaki, K, Ataka, M, Kai, Y, Ishikawa, K.
登録日2005-03-28
公開日2005-12-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of thioredoxin peroxidase from aerobic hyperthermophilic archaeon Aeropyrum pernix K1
Proteins, 62, 2006
6A0T
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BU of 6a0t by Molmil
Homoserine dehydrogenase K99A mutant from Thermus thermophilus HB8 complexed with HSE and NADP+
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ...
著者Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I.
登録日2018-06-06
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
6A0U
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BU of 6a0u by Molmil
Homoserine dehydrogenase K195A mutant from Thermus thermophilus HB8 complexed with HSE and NADP+
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ...
著者Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I.
登録日2018-06-06
公開日2018-11-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
1WNK
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BU of 1wnk by Molmil
NMR Structure of FMBP-1 Tandem repeat 3 in 30%(V/V) TFE solution
分子名称: Fibroin-Modulator-binding-protein-1
著者Yamaki, T, Kawaguchi, K, Aizawa, T, Takiya, S, Demura, M, Nitta, K.
登録日2004-08-05
公開日2005-07-19
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献NMR Structure of FMBP-1 Tandem repeat 3 in 30%(V/V) TFE Solution
To be Published
5U0Y
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BU of 5u0y by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
分子名称: 1,2-ETHANEDIOL, Dihydropteroate synthase, [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2016-11-27
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
6EJ1
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BU of 6ej1 by Molmil
Crystal structure of KDM5B in complex with KDOPZ48a.
分子名称: 1,2-ETHANEDIOL, 5-[1-[1-(2-chloranylethanoyl)piperidin-4-yl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, DIMETHYL SULFOXIDE, ...
著者Srikannathasan, V, Newman, J.A, Szykowska, A, Wright, M, Ruda, G.F, Vazquez-Rodriguez, S.A, Kupinska, K, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Huber, K, von Delft, F.
登録日2017-09-19
公開日2018-05-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of KDM5B in complex with KDOPZ48a.
to be published
4MZC
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BU of 4mzc by Molmil
Atomic Resolution Structure of PfGrx1
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin
著者Yogavel, M, Sharma, A.
登録日2013-09-30
公開日2013-10-09
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (0.949 Å)
主引用文献Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
7EFD
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BU of 7efd by Molmil
1.77 A cryo-EM structure of Streptavidin using first 40 frames (corresponding to about 40 e/A^2 total dose)
分子名称: BIOTIN, Streptavidin
著者Hiraizumi, M, Yamashita, K, Nishizawa, T, Kotecha, A, Nureki, O.
登録日2021-03-21
公開日2021-04-28
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (1.77 Å)
主引用文献1.77 A cryo-EM structure of Streptavidin using first 40 frames (corresponding to about 40e/A^2 total dose)
To Be Published
7EFC
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BU of 7efc by Molmil
1.70 A cryo-EM structure of streptavidin
分子名称: BIOTIN, Streptavidin
著者Hiraizumi, M, Yamashita, K, Nishizawa, T, Kotecha, A, Nureki, O.
登録日2021-03-21
公開日2021-04-28
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (1.7 Å)
主引用文献1.70 A cryo-EM structure of streptavidin using all frames (corresponding to 70 e/A^2 total dose)
To Be Published
5U86
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BU of 5u86 by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-069 complex
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ...
著者Najeeb, J, Lee, C.-J, Zhou, P.
登録日2016-12-13
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
7CKN
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BU of 7ckn by Molmil
Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine
分子名称: (2S)-3-phenyl-2-[2-[4-(trifluoromethyloxy)phenoxy]ethanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Stanfield, J.K, Sugimoto, H, Shoji, O.
登録日2020-07-17
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the CYP102A1 Haem Domain with N-{2-[4-(Trifluoromethoxy)phenoxy]}acetoyl-L-Phenylalanine in complex with Isopropylamine at 1.55 Angstrom Resolution
To Be Published

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