5JKB
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5U0J
| C-terminal ankyrin repeats from human kidney-type glutaminase (KGA) - monoclinic crystal form | Descriptor: | Glutaminase kidney isoform, mitochondrial, SODIUM ION | Authors: | Pasquali, C.C, Gonzalez, A, Dias, S.M.G, Ambrosio, A.L.B. | Deposit date: | 2016-11-24 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The origin and evolution of human glutaminases and their atypical C-terminal ankyrin repeats. J. Biol. Chem., 292, 2017
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7MEA
| CDD-1 beta-lactamase in imidazole/MPD 1 minute avibactam complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2021-04-06 | Release date: | 2022-02-16 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | 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
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7OLS
| MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | Descriptor: | 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, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | 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
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8ALI
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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 | Descriptor: | (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, ... | Authors: | Bury, P, Huang, F, Leadlay, P, Dias, M.V.B. | Deposit date: | 2016-11-27 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.109 Å) | Cite: | Structural Basis of the Selectivity of GenN, an Aminoglycoside N-Methyltransferase Involved in Gentamicin Biosynthesis. ACS Chem. Biol., 12, 2017
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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) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, methyl 4-[(4-methylpiperazin-1-yl)methyl]benzoate | Authors: | 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) | Deposit date: | 2015-07-24 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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7U4K
| Crystal structure of human GPX4-U46C-R152H in complex with ML162 | Descriptor: | 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 | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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8JKA
| SP1746 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, FE (III) ION, SULFATE ION, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-06-01 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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6LCT
| Crystal structure of catalytic inactive chloroplast resolvase NtMOC1 in complex with Holliday junction | Descriptor: | 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'), ... | Authors: | Yan, J.J, Hong, S.X, Guan, Z.Y, Yin, P. | Deposit date: | 2019-11-19 | Release date: | 2020-04-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural insights into sequence-dependent Holliday junction resolution by the chloroplast resolvase MOC1. Nat Commun, 11, 2020
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5U0Z
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8J9T
| Crystal Structure of GyraseA N-terminal at 2.43A Resolution | Descriptor: | CARBONATE ION, DNA gyrase subunit A | Authors: | Salman, M, Sachdeva, E, Das, U, Singh, T.P, Ethayathullah, A.S, Kaur, P. | Deposit date: | 2023-05-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.428 Å) | Cite: | Crystal Structure of GyraseA N-terminal at 2.43A Resolution to be published
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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) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, PARA ACETAMIDO BENZOIC ACID | Authors: | 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) | Deposit date: | 2015-07-24 | Release date: | 2015-09-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 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
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8AQY
| streptavidin mutant S112A with an iridium catalyst for CH activation | Descriptor: | 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 | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2022-08-15 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | streptavidin mutant S112A with an iridium catalyst for CH activation To Be Published
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7MEH
| CDD-1 beta-lactamase in imidazole/MPD 60 minute avibactam complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2021-04-06 | Release date: | 2022-02-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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7MEB
| CDD-1 beta-lactamase in imidazole/MPD 2 minute avibactam complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2021-04-06 | Release date: | 2022-02-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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5U17
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8JK5
| Crystal structure of SP1746 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Descriptor: | FE (III) ION, GLYCEROL, SULFATE ION, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-05-31 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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5JKR
| vaccinia virus D4/A20(1-50)w43a mutant | Descriptor: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | Deposit date: | 2016-04-26 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface. Acta Crystallogr.,Sect.F, 72, 2016
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5CY9
| Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | Deposit date: | 2015-07-30 | Release date: | 2016-01-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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
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7MBW
| Crystal structure of TnsC(1-503)A225V | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transposon Tn7 transposition protein TnsC | Authors: | Shen, Y, Guarne, A. | Deposit date: | 2021-04-01 | Release date: | 2022-02-23 | Last modified: | 2022-03-02 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for DNA targeting by the Tn7 transposon. Nat.Struct.Mol.Biol., 29, 2022
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8AIU
| Mpro of SARS COV-2 in complex with the MG-97 inhibitor | Descriptor: | 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 | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-07-27 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-97 To Be Published
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7OLV
| MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | Descriptor: | 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, ... | Authors: | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | Deposit date: | 2021-05-20 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | 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
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8JFX
| TruB domain of TruB1 | Descriptor: | BROMIDE ION, Pseudouridylate synthase TRUB1 | Authors: | Xuan, Y.M, Gong, Q.G. | Deposit date: | 2023-05-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of pri-let-7 recognition by human pseudouridine synthase TruB1 To Be Published
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8JJK
| SP1746 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FE (III) ION, GLYCEROL, ... | Authors: | Jin, Y, Niu, L, Ke, J. | Deposit date: | 2023-05-30 | Release date: | 2024-05-08 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and biochemical characterization of a nucleotide hydrolase from Streptococcus pneumonia. Structure, 32, 2024
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