6XGT
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8GMI
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8GLL
| R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Pathirage, R, Ronning, D, Petit, C. | Deposit date: | 2023-03-22 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GMF
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8GLB
| Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | Authors: | Pathirage, R, Ronning, D, Favrot, L. | Deposit date: | 2023-03-21 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GMK
| Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | Authors: | Pathirage, R, Ronning, D, Yamsek, M. | Deposit date: | 2023-03-26 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GIW
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8GI7
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8GM9
| Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis | Descriptor: | 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pathirage, R, Ronning, D, Favrot, L. | Deposit date: | 2023-03-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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5NG2
| Structure of RIP2K(D146N) with bound Staurosporine | Descriptor: | PHOSPHATE ION, Receptor-interacting serine/threonine-protein kinase 2, STAUROSPORINE | Authors: | Pellegrini, E, Cusack, S. | Deposit date: | 2017-03-16 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation. PLoS ONE, 12, 2017
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5NG0
| Structure of RIP2K(L294F) with bound AMPPCP | Descriptor: | COBALT (II) ION, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Pellegrini, E, Cusack, S. | Deposit date: | 2017-03-16 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation. PLoS ONE, 12, 2017
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5NG3
| Structure of inactive kinase RIP2K(K47R) | Descriptor: | Receptor-interacting serine/threonine-protein kinase 2, SULFATE ION | Authors: | Pellegrini, E, Cusack, S. | Deposit date: | 2017-03-16 | Release date: | 2017-06-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation. PLoS ONE, 12, 2017
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6XRE
| Structure of the p53/RNA polymerase II assembly | Descriptor: | Cellular tumor antigen p53, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ... | Authors: | Liou, S.-H, Singh, S, Singer, R.H, Coleman, R.A, Liu, W. | Deposit date: | 2020-07-12 | Release date: | 2021-03-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the p53/RNA polymerase II assembly. Commun Biol, 4, 2021
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8BWU
| Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | Descriptor: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | Authors: | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | Deposit date: | 2022-12-07 | Release date: | 2023-10-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors. Biorxiv, 2024
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7OQD
| A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20) | Descriptor: | 3-O-sulfo-beta-D-galactopyranose, Arylsulfatase, CALCIUM ION | Authors: | Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A. | Deposit date: | 2021-06-03 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A single sulfatase is required to access colonic mucin by a gut bacterium. Nature, 598, 2021
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7TZH
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7TZG
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7TZE
| Structure of murine LAG3 domains 1-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | Deposit date: | 2022-02-15 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition. Nat.Immunol., 23, 2022
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7TZ2
| Structure of human Fibrinogen-like protein 1 | Descriptor: | CALCIUM ION, Fibrinogen-like protein 1 | Authors: | Ming, Q, Tran, T.H, Luca, V.C. | Deposit date: | 2022-02-15 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | LAG3 ectodomain structure reveals functional interfaces for ligand and antibody recognition. Nat.Immunol., 23, 2022
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7DED
| Mevo lectin complex with mannoheptose (Man7) | Descriptor: | 1,2-ETHANEDIOL, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ... | Authors: | Sivaji, N, Surolia, A, Vijayan, M. | Deposit date: | 2020-11-03 | Release date: | 2021-04-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.228 Å) | Cite: | Mevo lectin specificity toward high-mannose structures with terminal alpha Man(1,2) alpha Man residues and its implication to inhibition of the entry of Mycobacterium tuberculosis into macrophages. Glycobiology, 31, 2021
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5K9M
| Crystal Structure of PriB Binary Complex with Product Diphosphate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PYROPHOSPHATE 2-, PriB Prenyltransferase | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-06-01 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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5JXM
| Crystal Structure of Prenyltransferase PriB Apo Form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, PriB | Authors: | Cao, H, Elshahawi, S, Benach, J, Wasserman, S.R, Morisco, L.L, Koss, J.W, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2016-05-13 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure and specificity of a permissive bacterial C-prenyltransferase. Nat. Chem. Biol., 13, 2017
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8SK5
| Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH | Authors: | Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y. | Deposit date: | 2023-04-18 | Release date: | 2023-08-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants. Sci Rep, 13, 2023
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8SZX
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1IVB
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