7C2Z
 
 | | Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone | | Descriptor: | 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4, FORMIC ACID | | Authors: | Li, J, Zhu, J. | | Deposit date: | 2020-05-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor.
J Enzyme Inhib Med Chem, 36, 2021
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7C5C
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7CP1
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7CK9
 | | Crystal structure of Doxorubicin loaded human ferritin heavy chain | | Descriptor: | CHLORIDE ION, Ferritin heavy chain, GLYCEROL, ... | | Authors: | Chen, X, Jiang, B, Yan, X, Fan, K. | | Deposit date: | 2020-07-16 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | A natural drug entry channel in the ferritin nanocage.
Nano Today, 35, 2020
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7C7C
 | | Crystal structure of human TRAP1 with SJT104 | | Descriptor: | 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol, Heat shock protein 75 kDa, mitochondrial | | Authors: | Kim, D, Yang, S, Yoon, N.G, Park, E, Kim, S.Y, Kang, B.H, Lee, C, Kang, S. | | Deposit date: | 2020-05-24 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design and Synthesis of TRAP1 Selective Inhibitors: H-Bonding with Asn171 Residue in TRAP1 Increases Paralog Selectivity.
Acs Med.Chem.Lett., 12, 2021
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7CFD
 | | Drosophila melanogaster Krimper eTud2-AubR15me2 complex | | Descriptor: | FI20010p1, Protein aubergine | | Authors: | Hu, H, Li, S. | | Deposit date: | 2020-06-25 | | Release date: | 2021-06-02 | | Last modified: | 2021-09-15 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
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7C8I
 | | Ambient temperature structure of Bifidobacgterium longum phosphoketolase with thiamine diphosphate and phosphoenol pyuruvate | | Descriptor: | CALCIUM ION, PHOSPHOENOLPYRUVATE, THIAMINE DIPHOSPHATE, ... | | Authors: | Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7CFC
 | | Drosophila melanogaster Krimper eTud1-Ago3 complex | | Descriptor: | FI20010p1, Protein argonaute-3 | | Authors: | Hu, H, Li, S. | | Deposit date: | 2020-06-25 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
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7CFB
 | | Drosophila melanogaster Krimper eTud1 apo structure | | Descriptor: | FI20010p1, SULFATE ION | | Authors: | Hu, H, Li, S. | | Deposit date: | 2020-06-25 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of guide piRNA triggers methylation of the unstructured N-terminal region of Aub leading to assembly of the piRNA amplification complex.
Nat Commun, 12, 2021
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7C8L
 | | Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7 | | Descriptor: | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, GLYCEROL, Hyposensitive to light 7, ... | | Authors: | Shahul Hameed, U.F, Arold, S.T. | | Deposit date: | 2020-06-02 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Rational design of Striga hermonthica-specific seed germination inhibitors.
Plant Physiol., 188, 2022
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7C8H
 | | Ambient temperature structure of Bifidobacterium longum phosphoketolase with thiamine diphosphate | | Descriptor: | (2S)-2-hydroxybutanedioic acid, CALCIUM ION, MALONIC ACID, ... | | Authors: | Nakata, K, Kashiwagi, T, Nango, E, Miyano, H, Mizukoshi, T, Iwata, S. | | Deposit date: | 2020-06-01 | | Release date: | 2021-06-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Ambient temperature structure of phosphoketolase from Bifidobacterium longum determined by serial femtosecond X-ray crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7C9Q
 | | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, MAGNESIUM ION | | Authors: | Huang, Y, Li, R, Wan, J. | | Deposit date: | 2020-06-07 | | Release date: | 2021-06-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.878 Å) | | Cite: | Crystal structure of Human liver fructose-1,6-bisphoaphatase complex with Mg2+ and AMP
To Be Published
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7CB1
 | | Structure of Serratia marcescens chitinase B complexed with compound 6q | | Descriptor: | 6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide, Chitinase B | | Authors: | Jiang, X, Yuan, P.T. | | Deposit date: | 2020-06-10 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of novel Chitinase Inhibitors with a scaffold of dipyridopyrimidine-3-carboxamide via Structure-based Rational Design
To Be Published
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7CNQ
 | | Crystal structure of Agrobacterium tumefaciens aconitase X (holo-form) | | Descriptor: | (2~{S},3~{R})-3-oxidanylpyrrolidine-2-carboxylic acid, FE2/S2 (INORGANIC) CLUSTER, cis-3-hydroxy-L-proline dehydratase | | Authors: | Murase, Y, Watanabe, Y, Watanabe, S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
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7CVQ
 | | crystal structure of Arabidopsis CO CCT domain in complex with NF-YB2/YC3 and FT CORE1 DNA | | Descriptor: | Chimera of Nuclear transcription factor Y subunit C-3 and Zinc finger protein CONSTANS, FT CORE1 DNA forward strand, FT CORE1 DNA reverse strand, ... | | Authors: | Lv, X, Du, J. | | Deposit date: | 2020-08-26 | | Release date: | 2021-06-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural insights into the multivalent binding of the Arabidopsis FLOWERING LOCUS T promoter by the CO-NF-Y master transcription factor complex.
Plant Cell, 33, 2021
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7CNR
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7CDC
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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7CDF
 | | Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Lysine-specific histone demethylase 1A, ... | | Authors: | Kikuchi, M, Kitagawa, H, Sato, S, Umezawa, N, Higuchi, T, Umehara, T. | | Deposit date: | 2020-06-19 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Structure-Based Identification of Potent Lysine-Specific Demethylase 1 Inhibitor Peptides and Temporary Cyclization to Enhance Proteolytic Stability and Cell Growth-Inhibitory Activity.
J.Med.Chem., 64, 2021
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7CNP
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7CNS
 | | Crystal structure of Thermococcus kodakaraensis aconitase X (holo-form) | | Descriptor: | (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID, DUF521 domain-containing protein, FE3-S4 CLUSTER, ... | | Authors: | Murase, Y, Watanabe, Y, Watanabe, S. | | Deposit date: | 2020-08-03 | | Release date: | 2021-06-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.902 Å) | | Cite: | Crystal structures of aconitase X enzymes from bacteria and archaea provide insights into the molecular evolution of the aconitase superfamily.
Commun Biol, 4, 2021
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7CPC
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7CS1
 | | Aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis-Complex with Coenzyme A and Neomycin | | Descriptor: | Aminoglycoside 2'-N-acetyltransferase, COENZYME A, NEOMYCIN | | Authors: | Jeong, C.S, Hwang, J, Do, H, Lee, J.H. | | Deposit date: | 2020-08-14 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.966 Å) | | Cite: | Structural and biochemical analyses of an aminoglycoside 2'-N-acetyltransferase from Mycolicibacterium smegmatis.
Sci Rep, 10, 2020
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7CB9
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7CPI
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7CCH
 | | Acinetobacter baumannii histidine kinase AdeS | | Descriptor: | AdeS | | Authors: | Wen, Y, Felix, J. | | Deposit date: | 2020-06-17 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.848 Å) | | Cite: | Proteolysis and multimerization regulate signaling along the two-component regulatory system AdeRS.
Iscience, 24, 2021
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