7Y5F
| Crystal structure of CmnC in complex with L-homoarginine | Descriptor: | CmnC, FE (III) ION, L(+)-TARTARIC ACID, ... | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Chang, C.Y. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer. Front Chem, 10, 2022
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7Y5I
| Crystal structure of CmnC in complex with L-homoarginine | Descriptor: | ARGININE, CmnC, FE (III) ION, ... | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Chang, C.Y. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer. Front Chem, 10, 2022
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7Y5P
| Crystal structure of CmnC in complex with L-arginine and alpha-KG | Descriptor: | 2-OXOGLUTARIC ACID, ARGININE, CmnC, ... | Authors: | Hsiao, Y.H, Huang, S.J, Lin, E.C, Lee, Y.C, Chang, C.Y. | Deposit date: | 2022-06-17 | Release date: | 2023-07-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the alpha-ketoglutarate-dependent non-heme iron oxygenase CmnC in capreomycin biosynthesis and its engineering to catalyze hydroxylation of the substrate enantiomer. Front Chem, 10, 2022
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5V8M
| BG505 SOSIP.664 trimer in complex with broadly neutralizing HIV antibody 3BNC117 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lee, J.H, Cottrell, C.A, Ward, A.B. | Deposit date: | 2017-03-22 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | A Broadly Neutralizing Antibody Targets the Dynamic HIV Envelope Trimer Apex via a Long, Rigidified, and Anionic beta-Hairpin Structure. Immunity, 46, 2017
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7YAN
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7Y1Z
| S-ECD (Omicron BA.3) in complex with three PD of ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-06-09 | Release date: | 2023-07-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants. Viruses, 15, 2023
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5VB2
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5VBC
| Crystal structure of ATXR5 in complex with histone H3.1 | Descriptor: | DIMETHYL SULFOXIDE, Histone H3.1 peptide, Probable Histone-lysine N-methyltransferase ATXR5, ... | Authors: | Couture, J.-F, Bergamin, E. | Deposit date: | 2017-03-29 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular basis for the methylation specificity of ATXR5 for histone H3. Nucleic Acids Res., 45, 2017
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5VIK
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5VKO
| SPT6 tSH2-RPB1 1468-1500 pT1471, pS1493 | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, ISOPROPYL ALCOHOL, Transcription elongation factor SPT6 | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | Deposit date: | 2017-04-21 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription. Elife, 6, 2017
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5VML
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5VN3
| Cryo-EM model of B41 SOSIP.664 in complex with soluble CD4 (D1-D2) and fragment antigen binding variable domain of 17b | Descriptor: | 17b Fab heavy chain, 17b Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ozorowski, G, Pallesen, J, Ward, A.B. | Deposit date: | 2017-04-28 | Release date: | 2017-07-12 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Open and closed structures reveal allostery and pliability in the HIV-1 envelope spike. Nature, 547, 2017
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5VPR
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7Y21
| S-ECD (Omicron BA.5) in complex with PD of ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ... | Authors: | Li, Y.N, Shen, Y.P, Zhang, Y.Y, Yan, R.H. | Deposit date: | 2022-06-09 | Release date: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural Basis for the Enhanced Infectivity and Immune Evasion of Omicron Subvariants. Viruses, 15, 2023
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5VDA
| Crystal structure of human WEE1 kinase domain in complex with RAC-IV-101, a MK1775 analogue | Descriptor: | 1,2-ETHANEDIOL, 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | Authors: | Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2017-04-01 | Release date: | 2018-04-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of Wee family kinase inhibition by small molecules to be published
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7MKT
| Crystal structure of r(GU)11G-NMM complex | Descriptor: | N-METHYLMESOPORPHYRIN, POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3') | Authors: | Bingman, C.A, Roschdi, S, Nomura, Y, Butcher, S.E. | Deposit date: | 2021-04-26 | Release date: | 2022-11-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | An atypical RNA quadruplex marks RNAs as vectors for gene silencing. Nat.Struct.Mol.Biol., 29, 2022
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5VED
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7UH9
| NMR structure of the cNTnC-cTnI chimera bound to W8 | Descriptor: | CALCIUM ION, N-(7-aminoheptyl)-5-chloronaphthalene-1-sulfonamide, Troponin C, ... | Authors: | Cai, F, Kampourakis, T, Cockburn, K.T, Sykes, B.D. | Deposit date: | 2022-03-26 | Release date: | 2022-06-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7. Acs Chem.Biol., 17, 2022
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5VG9
| Structure of the eukaryotic intramembrane Ras methyltransferase ICMT (isoprenylcysteine carboxyl methyltransferase) without a monobody | Descriptor: | Protein-S-isoprenylcysteine O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Long, S.B, Diver, M.M, Pedi, L, Koide, A, Koide, S. | Deposit date: | 2017-04-10 | Release date: | 2018-01-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Atomic structure of the eukaryotic intramembrane RAS methyltransferase ICMT. Nature, 553, 2018
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5VFC
| WDR5 bound to inhibitor MM-589 | Descriptor: | 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2017-04-07 | Release date: | 2017-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction. J. Med. Chem., 60, 2017
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7UHA
| NMR structure of the cNTnC-cTnI chimera bound to W6 | Descriptor: | CALCIUM ION, N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide, Troponin C, ... | Authors: | Cai, F, Kampourakis, T, Cockburn, K.T, Sykes, B.D. | Deposit date: | 2022-03-26 | Release date: | 2022-06-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Drugging the Sarcomere, a Delicate Balance: Position of N-Terminal Charge of the Inhibitor W7. Acs Chem.Biol., 17, 2022
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5X17
| Crystal structure of murine CK1d in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Casein kinase I isoform delta, SULFATE ION | Authors: | Kikuchi, M, Shinohara, Y, Ueda, H.R, Umehara, T. | Deposit date: | 2017-01-25 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Temperature-Sensitive Substrate and Product Binding Underlie Temperature-Compensated Phosphorylation in the Clock Mol. Cell, 67, 2017
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5WBZ
| Structure of human Ketohexokinase complexed with hits from fragment screening | Descriptor: | 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ... | Authors: | Pandit, J. | Deposit date: | 2017-06-29 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK). J. Med. Chem., 60, 2017
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7V86
| Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Green fluorescent protein, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Kappa variant (B.1.617.1) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form To Be Published
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7V8A
| Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain, ... | Authors: | Yang, T.J, Yu, P.Y, Chang, Y.C, Hsu, S.T.D. | Deposit date: | 2021-08-22 | Release date: | 2021-10-06 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Cryo-EM structure of SARS-CoV-2 S-Delta variant (B.1.617.2) in complex with Angiotensin-converting enzyme 2 (ACE2) ectodomain, three ACE2-bound form conformation 2 To Be Published
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