5JKB
 
 | |
5U0J
 | | C-terminal ankyrin repeats from human kidney-type glutaminase (KGA) - monoclinic crystal form | | 分子名称: | Glutaminase kidney isoform, mitochondrial, SODIUM ION | | 著者 | Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B. | | 登録日 | 2016-11-24 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats.
J. Biol. Chem., 292, 2017
|
|
7MEA
 | | CDD-1 beta-lactamase in imidazole/MPD 1 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
7OLS
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | | 分子名称: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | 登録日 | 2021-05-20 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
|
|
8ALI
 | |
5U0T
 | | Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside | | 分子名称: | (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, MAGNESIUM ION, Putative gentamicin methyltransferase, ... | | 著者 | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | | 登録日 | 2016-11-27 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.109 Å) | | 主引用文献 | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis.
ACS Chem. Biol., 12, 2017
|
|
5CUB
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 314268-40-1 (SGC - Diamond I04-1 fragment screening)
To be published
|
|
8JKA
 | | SP1746 in complex with AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, FE (III) ION, SULFATE ION, ... | | 著者 | Jin, Y, Niu, L, Ke, J. | | 登録日 | 2023-06-01 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
|
|
7U4K
 | | Crystal structure of human GPX4-U46C-R152H in complex with ML162 | | 分子名称: | 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase | | 著者 | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | | 登録日 | 2022-02-28 | | 公開日 | 2022-12-07 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
|
|
6LCT
 | | Crystal structure of catalytic inactive chloroplast resolvase NtMOC1 in complex with Holliday junction | | 分子名称: | DNA (5'-D(*AP*AP*GP*AP*TP*GP*TP*CP*CP*CP*TP*CP*TP*GP*TP*TP*GP*T)-3'), DNA (5'-D(*AP*CP*AP*AP*CP*AP*GP*AP*GP*GP*AP*TP*GP*GP*AP*GP*CP*T)-3'), DNA (5'-D(*GP*CP*CP*TP*TP*GP*CP*TP*GP*GP*GP*AP*CP*AP*TP*CP*TP*T)-3'), ... | | 著者 | Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P. | | 登録日 | 2019-11-19 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1.
Nat Commun, 11, 2020
|
|
5U0Z
 | |
5CUG
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PARA ACETAMIDO BENZOIC ACID | | 著者 | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2015-07-24 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 4-Acetamidobenzoic acid (SGC - Diamond I04-1 fragment screening)
To be published
|
|
7MEH
 | | CDD-1 beta-lactamase in imidazole/MPD 60 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
8J9T
 | | Crystal Structure of GyraseA N-terminal at 2.43A Resolution | | 分子名称: | CARBONATE ION, DNA gyrase subunit A | | 著者 | Salman, M, Sachdeva, E, Das, U, Singh, T.P, Ethayathullah, A.S, Kaur, P. | | 登録日 | 2023-05-04 | | 公開日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.428 Å) | | 主引用文献 | Crystal Structure of GyraseA N-terminal at 2.43A Resolution
to be published
|
|
8AQY
 | | streptavidin mutant S112A with an iridium catalyst for CH activation | | 分子名称: | Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | | 著者 | Igareta, N.V, Ward, T.R. | | 登録日 | 2022-08-15 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | streptavidin mutant S112A with an iridium catalyst for CH activation
To Be Published
|
|
8JK5
 | | Crystal structure of SP1746 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | | 分子名称: | FE (III) ION, GLYCEROL, SULFATE ION, ... | | 著者 | Jin, Y, Niu, L, Ke, J. | | 登録日 | 2023-05-31 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
|
|
7MEB
 | | CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2021-04-06 | | 公開日 | 2022-02-16 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases.
Acs Infect Dis., 7, 2021
|
|
5U17
 | |
5JKR
 | | vaccinia virus D4/A20(1-50)w43a mutant | | 分子名称: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | | 著者 | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | | 登録日 | 2016-04-26 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
|
|
5CY9
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | 著者 | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | 登録日 | 2015-07-30 | | 公開日 | 2016-01-13 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
|
|
7OLV
 | | MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | | 分子名称: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | | 登録日 | 2021-05-20 | | 公開日 | 2021-09-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy.
J.Med.Chem., 64, 2021
|
|
8JFX
 | | TruB domain of TruB1 | | 分子名称: | BROMIDE ION, Pseudouridylate synthase TRUB1 | | 著者 | Xuan, Y.M, Gong, Q.G. | | 登録日 | 2023-05-19 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis of pri-let-7 recognition by human pseudouridine synthase TruB1
To Be Published
|
|
7MBW
 | | Crystal structure of TnsC(1-503)A225V | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transposon Tn7 transposition protein TnsC | | 著者 | Shen, Y, Guarne, A. | | 登録日 | 2021-04-01 | | 公開日 | 2022-02-23 | | 最終更新日 | 2022-03-02 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structural basis for DNA targeting by the Tn7 transposon.
Nat.Struct.Mol.Biol., 29, 2022
|
|
8AIU
 | | Mpro of SARS COV-2 in complex with the MG-97 inhibitor | | 分子名称: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | El Kilani, H, Hilgenfeld, R. | | 登録日 | 2022-07-27 | | 公開日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.997 Å) | | 主引用文献 | Main Protease SARS-COV-2 in complex with the inhibitor MG-97
To Be Published
|
|
8JJK
 | | SP1746 in complex with ADP | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, GLYCEROL, ... | | 著者 | Jin, Y, Niu, L, Ke, J. | | 登録日 | 2023-05-30 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-08-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia.
Structure, 32, 2024
|
|
