6BYZ
 
 | | Structure of Cysteine-free Human Insulin-Degrading Enzyme in complex with Substrate-selective Macrocyclic Inhibitor 37 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALA-ALA-ALA, Insulin-degrading enzyme, ... | | Authors: | Tan, G.A, Seeliger, M.A, Maianti, J.P, Liu, D.R. | | Deposit date: | 2017-12-21 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.95624852 Å) | | Cite: | Substrate-selective inhibitors that reprogram the activity of insulin-degrading enzyme.
Nat.Chem.Biol., 15, 2019
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7V90
 | | Telomeric mononucleosome | | Descriptor: | DNA (145-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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6GGG
 | | Mineralocorticoid receptor in complex with (s)-13 | | Descriptor: | 2-[(3~{S})-7-fluoranyl-6-(2-methylpropyl)-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide, CHLORIDE ION, Mineralocorticoid receptor, ... | | Authors: | Edman, K, Aagaard, A, Tangefjord, S. | | Deposit date: | 2018-05-03 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Identification of Mineralocorticoid Receptor Modulators with Low Impact on Electrolyte Homeostasis but Maintained Organ Protection.
J.Med.Chem., 62, 2019
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5ZH4
 | | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7 | | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | | Deposit date: | 2018-03-11 | | Release date: | 2018-06-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
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4UNE
 | | Human insulin B26Phe mutant crystal structure | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | | Deposit date: | 2014-05-28 | | Release date: | 2014-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex
Acta Crystallogr.,Sect.D, 70, 2014
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6GXS
 | | Crystal structure of CV39L lectin from Chromobacterium violaceum at 1.8 A resolution | | Descriptor: | 1,2-ETHANEDIOL, CV39L lectin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Sykorova, P, Novotna, J, Demo, G, Pompidor, G, Dubska, E, Komarek, J, Fujdiarova, E, Haronikova, L, Varrot, A, Imberty, A, Shilova, N, Bovin, N, Pokorna, M, Wimmerova, M. | | Deposit date: | 2018-06-27 | | Release date: | 2019-12-04 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of novel lectins from Burkholderia pseudomallei and Chromobacterium violaceum with seven-bladed beta-propeller fold.
Int.J.Biol.Macromol., 152, 2020
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5KTD
 | | FdhC with bound products: Coenzyme A and dTDP-3-amino-3,6-dideoxy-d-glucose | | Descriptor: | 1,2-ETHANEDIOL, COENZYME A, FdhC, ... | | Authors: | Salinger, A.J, Thoden, J.B, Holden, H.M. | | Deposit date: | 2016-07-11 | | Release date: | 2016-07-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and Functional Investigation of FdhC from Acinetobacter nosocomialis: A Sugar N-Acyltransferase Belonging to the GNAT Superfamily.
Biochemistry, 55, 2016
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7VA4
 | | Telomeric tetranucleosome in open state | | Descriptor: | DNA (539-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-27 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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5KVX
 | | T. danielli thaumatin at 100K, Data set 2 | | Descriptor: | GLYCEROL, L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-15 | | Release date: | 2016-08-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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1A40
 | | PHOSPHATE-BINDING PROTEIN WITH ALA 197 REPLACED WITH TRP | | Descriptor: | PHOSPHATE ION, PHOSPHATE-BINDING PERIPLASMIC PROTEIN PRECURSOR | | Authors: | Ledivina, P.S, Wang, Z, Tsai, A, Koehl, E, Quiocho, F.A. | | Deposit date: | 1998-02-10 | | Release date: | 1999-03-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dominant role of local dipolar interactions in phosphate binding to a receptor cleft with an electronegative charge surface: equilibrium, kinetic, and crystallographic studies.
Protein Sci., 7, 1998
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6GY3
 | | Crystal Structure of C. glutamicum AmtR bound to glnA operator DNA | | Descriptor: | AmtR protein, DNA (5'-D(*GP*TP*CP*TP*AP*TP*AP*GP*AP*TP*CP*GP*AP*TP*AP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*TP*AP*TP*CP*GP*AP*TP*CP*TP*AP*TP*AP*GP*AP*C)-3') | | Authors: | Sevvana, M, Muller, Y.A. | | Deposit date: | 2018-06-28 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | The role of DNA flexibility in transcription regulator AmtR-DNA interaction
To be published
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5GJD
 | | Crystal structure of human TAK1/TAB1 fusion protein in complex with ligand 2 | | Descriptor: | 1-(4-((1H-pyrrolo[2,3-b]pyridin-4-yl)oxy)phenyl)-3-(5-(4-methylpiperazin-1-yl)naphthalen-2-yl)urea, TAK1 kinase - TAB1 chimera fusion protein | | Authors: | Irie, M, Nakamura, M, Fukami, T.A, Matsuura, T, Morishima, K. | | Deposit date: | 2016-06-29 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Development of a Method for Converting a TAK1 Type I Inhibitor into a Type II or c-Helix-Out Inhibitor by Structure-Based Drug Design (SBDD)
Chem.Pharm.Bull., 64, 2016
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7V9J
 | | Telomeric trinucleosome | | Descriptor: | DNA (408-mer), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-25 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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6FYS
 | | Structure of single domain antibody SD83 | | Descriptor: | 1,2-ETHANEDIOL, Single domain antibody SD83 | | Authors: | Laursen, N.S, Wilson, I.A. | | Deposit date: | 2018-03-12 | | Release date: | 2018-11-07 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Universal protection against influenza infection by a multidomain antibody to influenza hemagglutinin.
Science, 362, 2018
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1A4D
 | | LOOP D/LOOP E ARM OF ESCHERICHIA COLI 5S RRNA, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | RNA (5'-R(*GP*GP*CP*CP*GP*AP*UP*GP*GP*UP*AP*GP*UP*GP*UP*GP*GP*GP*GP*UP*C)-3'), RNA (5'-R(P*UP*CP*CP*CP*CP*AP*UP*GP*CP*GP*AP*GP*AP*GP*UP*AP*GP*GP*CP*C)-3') | | Authors: | Dallas, A, Moore, P.B. | | Deposit date: | 1998-01-29 | | Release date: | 1998-04-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The loop E-loop D region of Escherichia coli 5S rRNA: the solution structure reveals an unusual loop that may be important for binding ribosomal proteins.
Structure, 5, 1997
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7V9S
 | | Telomeric trinucleosome in open state | | Descriptor: | DNA (408-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Soman, A. | | Deposit date: | 2021-08-26 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Columnar structure of human telomeric chromatin.
Nature, 609, 2022
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5GN6
 | | Crystal structure of glycerol kinase from Trypanosoma brucei gambiense complexed with cumarin derivative-17b | | Descriptor: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one, GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Tsuge, T, May, B, Sato, T, Kido, Y, Takeshi, N, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Watanabe, Y, Moore, A.L, Harada, S, Kita, K. | | Deposit date: | 2016-07-19 | | Release date: | 2017-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Faseb J., 33, 2019
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4UB4
 | | DNA polymerase beta substrate complex with a templating cytosine and incoming dGTP, 0 s | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', ... | | Authors: | Freudenthal, B.D, Wilson, S.H, Beard, W.A. | | Deposit date: | 2014-08-11 | | Release date: | 2014-11-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.954 Å) | | Cite: | Uncovering the polymerase-induced cytotoxicity of an oxidized nucleotide.
Nature, 517, 2015
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8BYK
 | | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Knospe, C.V, Kamel, M, Spitz, O, Hoeppner, A, Galle, S, Reiners, J, Kedrov, A, Smits, S.H, Schmitt, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structure of MadC from Clostridium maddingley reveals new insights into class I lanthipeptide cyclases.
Front Microbiol, 13, 2022
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4ZV6
 | | Crystal structure of the artificial alpharep-7 octarellinV.1 complex | | Descriptor: | AlphaRep-7, Octarellin V.1 | | Authors: | Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. | | Deposit date: | 2015-05-18 | | Release date: | 2016-05-25 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
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6SIU
 | | Crystal structure of IbpAFic2 covalently tethered to Cdc42 | | Descriptor: | Cell division control protein 42 homolog, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Gulen, B, Roselin, M, Albers, M, Hedberg, C, Itzen, A, Pogenberg, V. | | Deposit date: | 2019-08-12 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Identification of targets of AMPylating Fic enzymes by co-substrate-mediated covalent capture.
Nat.Chem., 12, 2020
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6C0O
 | | Crystal structure of HIV-1 K103N mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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5ZFS
 | | Crystal structure of Arthrobacter globiformis M30 sugar epimerase which can produce D-allulose from D-fructose | | Descriptor: | ACETATE ION, D-allulose-3-epimerase, MANGANESE (II) ION | | Authors: | Yoshida, H, Yoshihara, A, Gullapalli, P.K, Ohtani, K, Akimitsu, K, Izumori, K, Kamitori, S. | | Deposit date: | 2018-03-07 | | Release date: | 2018-10-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | X-ray structure of Arthrobacter globiformis M30 ketose 3-epimerase for the production of D-allulose from D-fructose.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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5AG4
 | | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | | Descriptor: | (2S)-3-(3-chlorophenyl)-2-(pyridin-2-yl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | | Deposit date: | 2015-01-29 | | Release date: | 2015-10-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
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6GZ2
 | | Crystal Structure of the LeuO Effector Binding Domain | | Descriptor: | HTH-type transcriptional regulator LeuO, MALONATE ION | | Authors: | Fragel, S, Montada, A.M, Baumann, U, Schacherl, M, Schnetz, K. | | Deposit date: | 2018-07-02 | | Release date: | 2019-06-05 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Characterization of the pleiotropic LysR-type transcription regulator LeuO of Escherichia coli.
Nucleic Acids Res., 47, 2019
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