5CIE
 
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6ZZX
 | | Structure of low-light grown Chlorella ohadii Photosystem I | | Descriptor: | (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, ... | | Authors: | Caspy, I, Nelson, N, Nechushtai, R, Neumann, E, Shkolnisky, Y. | | Deposit date: | 2020-08-05 | | Release date: | 2021-07-28 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM photosystem I structure reveals adaptation mechanisms to extreme high light in Chlorella ohadii.
Nat.Plants, 7, 2021
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5GGI
 | | Crystal structure of human protein O-mannose beta-1,2-N-acetylglucosaminyltransferase in complex with Mn, UDP and Mannosyl-peptide | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1, ... | | Authors: | Kuwabara, N, Senda, T, Kato, R. | | Deposit date: | 2016-06-16 | | Release date: | 2016-08-10 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Carbohydrate-binding domain of the POMGnT1 stem region modulates O-mannosylation sites of alpha-dystroglycan
Proc.Natl.Acad.Sci.USA, 113, 2016
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6DK0
 | | Human sigma-1 receptor bound to NE-100 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, GLYCEROL, N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine, ... | | Authors: | Schmidt, H.R, Kruse, A.C. | | Deposit date: | 2018-05-28 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for sigma1receptor ligand recognition.
Nat. Struct. Mol. Biol., 25, 2018
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5MOL
 | | Human IgE-Fc crystal structure | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 2-(2-METHOXYETHOXY)ETHANOL, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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4PZJ
 | | 1.60 Angstrom resolution crystal structure of a transcriptional regulator of the LysR family from Eggerthella lenta DSM 2243 | | Descriptor: | CHLORIDE ION, Transcriptional regulator, LysR family | | Authors: | 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) | | Deposit date: | 2014-03-31 | | Release date: | 2014-04-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 1.60 Angstrom resolution crystal structure of a transcriptional regulator of the LysR family from Eggerthella lenta DSM 2243
To be Published
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7DBK
 | | Crystal structure of human LDHB in complex with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain | | Authors: | Sogabe, S, Miwa, M. | | Deposit date: | 2020-10-20 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
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6A9O
 | | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis | | Descriptor: | 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid, DIMETHYL SULFOXIDE, Dihydrogen tetrasulfide, ... | | Authors: | Manjula, R, Padmanabhan, B. | | Deposit date: | 2018-07-14 | | Release date: | 2019-07-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational discovery of a SOD1 tryptophan oxidation inhibitor with therapeutic potential for amyotrophic lateral sclerosis.
J.Biomol.Struct.Dyn., 37, 2019
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3SZL
 | | IspH:Ligand Mutants - wt 70sec | | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | | Deposit date: | 2011-07-19 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis.
J.Mol.Biol., 416, 2012
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5TJZ
 | | Structure of 4-Hydroxytetrahydrodipicolinate Reductase from Mycobacterium tuberculosis with NADPH and 2,6 Pyridine Dicarboxylic Acid | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, 4-hydroxy-tetrahydrodipicolinate reductase, ... | | Authors: | Mank, N.J, Arnette, A.K, Klapper, V, Chruszcz, M. | | Deposit date: | 2016-10-05 | | Release date: | 2018-01-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
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5MOK
 | | Crystal structure of human IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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6K33
 | | Structure of PSI-isiA supercomplex from Thermosynechococcus vulcanus | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Akita, F, Nagao, R, Kato, K, Shen, J.R, Miyazaki, N. | | Deposit date: | 2019-05-16 | | Release date: | 2020-05-20 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Structure of a cyanobacterial photosystem I surrounded by octadecameric IsiA antenna proteins.
Commun Biol, 3, 2020
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6T0J
 | | Crystal structure of CYP124 in complex with SQ109 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, GLYCEROL, ... | | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Hydroxylation of Antitubercular Drug Candidate, SQ109, by Mycobacterial Cytochrome P450.
Int J Mol Sci, 21, 2020
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1WNN
 | | NMR structure of fmbp-1 tandem repeat 4 in 30%(v/v) TFE solution | | Descriptor: | FIBROIN-MODULATOR BINDING-PROTEIN-1 | | Authors: | Yamaki, T, Kawaguchi, K, Aizawa, T, Takiya, S, Demura, M, Nitta, K. | | Deposit date: | 2004-08-06 | | Release date: | 2005-08-16 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR structure of FMBP-1 tandem repeat 4 in 30%(v/v) TFE solution
To be Published
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1X0R
 | | Thioredoxin Peroxidase from Aeropyrum pernix K1 | | Descriptor: | 1,2-ETHANEDIOL, Probable peroxiredoxin | | Authors: | Nakamura, T, Yamamoto, T, Inoue, T, Matsumura, H, Kobayashi, A, Hagihara, Y, Uegaki, K, Ataka, M, Kai, Y, Ishikawa, K. | | Deposit date: | 2005-03-28 | | Release date: | 2005-12-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of thioredoxin peroxidase from aerobic hyperthermophilic archaeon Aeropyrum pernix K1
Proteins, 62, 2006
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6A0T
 | | Homoserine dehydrogenase K99A mutant from Thermus thermophilus HB8 complexed with HSE and NADP+ | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ... | | Authors: | Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
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6A0U
 | | Homoserine dehydrogenase K195A mutant from Thermus thermophilus HB8 complexed with HSE and NADP+ | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, FORMIC ACID, GLYCEROL, ... | | Authors: | Akai, S, Ikushiro, H, Sawai, T, Yano, T, Kamiya, N, Miyahara, I. | | Deposit date: | 2018-06-06 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The crystal structure of homoserine dehydrogenase complexed with l-homoserine and NADPH in a closed form
J. Biochem., 165, 2019
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1WNK
 | | NMR Structure of FMBP-1 Tandem repeat 3 in 30%(V/V) TFE solution | | Descriptor: | Fibroin-Modulator-binding-protein-1 | | Authors: | Yamaki, T, Kawaguchi, K, Aizawa, T, Takiya, S, Demura, M, Nitta, K. | | Deposit date: | 2004-08-05 | | Release date: | 2005-07-19 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of FMBP-1 Tandem repeat 3 in 30%(V/V) TFE Solution
To be Published
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5U0Y
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | | Descriptor: | 1,2-ETHANEDIOL, Dihydropteroate synthase, [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | Deposit date: | 2016-11-27 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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6EJ1
 | | Crystal structure of KDM5B in complex with KDOPZ48a. | | Descriptor: | 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, ... | | Authors: | 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. | | Deposit date: | 2017-09-19 | | Release date: | 2018-05-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystal structure of KDM5B in complex with KDOPZ48a.
to be published
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4MZC
 | | Atomic Resolution Structure of PfGrx1 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Glutaredoxin | | Authors: | Yogavel, M, Sharma, A. | | Deposit date: | 2013-09-30 | | Release date: | 2013-10-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (0.949 Å) | | Cite: | Atomic resolution crystal structure of glutaredoxin 1 from Plasmodium falciparum and comparison with other glutaredoxins.
Acta Crystallogr.,Sect.D, 70, 2014
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7EFD
 | | 1.77 A cryo-EM structure of Streptavidin using first 40 frames (corresponding to about 40 e/A^2 total dose) | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Kotecha, A, Nureki, O. | | Deposit date: | 2021-03-21 | | Release date: | 2021-04-28 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (1.77 Å) | | Cite: | 1.77 A cryo-EM structure of Streptavidin using first 40 frames (corresponding to about 40e/A^2 total dose)
To Be Published
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7EFC
 | | 1.70 A cryo-EM structure of streptavidin | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Hiraizumi, M, Yamashita, K, Nishizawa, T, Kotecha, A, Nureki, O. | | Deposit date: | 2021-03-21 | | Release date: | 2021-04-28 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (1.7 Å) | | Cite: | 1.70 A cryo-EM structure of streptavidin using all frames (corresponding to 70 e/A^2 total dose)
To Be Published
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5U86
 | | Structure of the Aquifex aeolicus LpxC/LPC-069 complex | | Descriptor: | 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, ... | | Authors: | Najeeb, J, Lee, C.-J, Zhou, P. | | Deposit date: | 2016-12-13 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
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7CKN
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