7BR3
| Crystal structure of the protein 1 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ... | Authors: | Cheng, L, Shao, Z. | Deposit date: | 2020-03-26 | Release date: | 2020-10-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode. Nat Commun, 11, 2020
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8XRT
| The crystal structure of a GH3 enzyme CcBgl3B | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8X5D
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8XRV
| The crystal structure of a GH3 enzyme CcBgl3B with glucose | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, beta-D-glucopyranose | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRX
| The crystal structure of a GH3 enzyme CcBgl3B with glucose and gentiobiose | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, alpha-D-glucopyranose, ... | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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8XRU
| The crystal structure of a GH3 enzyme CcBgl3B with glycerol | Descriptor: | CALCIUM ION, GH3 enzyme CcBgl3B, GLYCEROL | Authors: | Su, J.Y. | Deposit date: | 2024-01-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A trapped covalent intermediate as a key catalytic element in the hydrolysis of a GH3 beta-glucosidase: An X-ray crystallographic and biochemical study. Int.J.Biol.Macromol., 265, 2024
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6C9V
| Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol | Descriptor: | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol, Adenosine kinase, GLYCEROL, ... | Authors: | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2018-01-28 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
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6C9N
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5YIJ
| Structure of a Legionella effector with substrates | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, SdeA, Ubiquitin | Authors: | Feng, Y, Mu, Y, Wang, H. | Deposit date: | 2017-10-05 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Structural basis of ubiquitin modification by the Legionella effector SdeA. Nature, 557, 2018
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6C9S
| Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol | Descriptor: | 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine, Adenosine kinase, SODIUM ION, ... | Authors: | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2018-01-28 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
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6C9R
| Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol | Descriptor: | 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine, Adenosine kinase, GLYCEROL, ... | Authors: | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2018-01-28 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
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6C9Q
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6C9P
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6C67
| Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, Adenosine kinase, GLYCEROL, ... | Authors: | Crespo, R.A, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2018-01-17 | Release date: | 2019-05-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase. J.Med.Chem., 62, 2019
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6M1S
| The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | Authors: | Xu, Z.H, Zhou, Z. | Deposit date: | 2020-02-26 | Release date: | 2020-09-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.254 Å) | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV. J.Med.Chem., 63, 2020
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8GPY
| Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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1ILW
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5XF7
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1IM5
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4C0O
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7KEF
| RNA polymerase II elongation complex with unnatural base dTPT3, rNaM in swing state | Descriptor: | (1S)-1,4-anhydro-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2020-10-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.89 Å) | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II. Nat.Chem.Biol., 17, 2021
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7KEE
| RNA polymerase II elongation complex with unnatural base dTPT3, rNaMTP bound to E-site | Descriptor: | (1S)-1,4-anhydro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-1-(3-methoxynaphthalen-2-yl)-D-ribitol, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Oh, J, Wang, D. | Deposit date: | 2020-10-10 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Transcriptional processing of an unnatural base pair by eukaryotic RNA polymerase II. Nat.Chem.Biol., 17, 2021
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2HZ8
| QM/MM structure refined from NMR-structure of a single chain diiron protein | Descriptor: | De novo designed diiron protein, ZINC ION | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | Deposit date: | 2006-08-08 | Release date: | 2007-07-17 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement. Structure, 16, 2008
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4C0Q
| Transportin 3 in complex with Ran(Q69L)GTP | Descriptor: | GTP-BINDING NUCLEAR PROTEIN RAN, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Maertens, G, Hare, S, Cherepanov, P. | Deposit date: | 2013-08-06 | Release date: | 2014-01-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.42 Å) | Cite: | Structural Basis for Nuclear Import of Splicing Factors by Human Transportin 3. Proc.Natl.Acad.Sci.USA, 111, 2014
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5YIK
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