7MG3
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7MG5
| Concanavalin A bound to a DNA glycoconjugate, Man-ATAT | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MG8
| Concanavalin A bound to a DNA glycoconjugate, Man-CGCG | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MGB
| Concanavalin A bound to a DNA glycoconjugate, A(Man-T)AT | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MG2
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7MG7
| Concanavalin A bound to a DNA glycoconjugate, Man-GTAC | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MG9
| Concanavalin A bound to DNA glycoconjugates, Man-TTTT and Man-AAAA | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MGD
| Concanavalin A bound to a DNA glycoconjugate, T(Man-T)TT | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MGA
| Concanavalin A bound to a DNA glycoconjugate, Man-AAATTT | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MG4
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7MGV
| Chryseobacterium gregarium RiPP-associated ATP-grasp ligase in complex with ADP, and a leader and core peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CdnA3 Core peptide, CdnA3 Leader peptide, ... | Authors: | Bewley, C.A, Zhao, G, Kosek, D, Dyda, F. | Deposit date: | 2021-04-13 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Basis for a Dual Function ATP Grasp Ligase That Installs Single and Bicyclic omega-Ester Macrocycles in a New Multicore RiPP Natural Product. J.Am.Chem.Soc., 143, 2021
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7MG6
| Concanavalin A bound to a DNA glycoconjugate, Man-AGCT | Descriptor: | 3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione, CALCIUM ION, Concanavalin-A, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MGC
| Concanavalin A bound to a DNA glycoconjugate, G(Man-T)AC | Descriptor: | CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ... | Authors: | Partridge, B.E, Winegar, P.H, Mirkin, C.A. | Deposit date: | 2021-04-12 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.92 Å) | Cite: | Redefining Protein Interfaces within Protein Single Crystals with DNA. J.Am.Chem.Soc., 143, 2021
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7MG1
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5T4S
| Novel Approach of Fragment-Based Lead Discovery applied to Renin Inhibitors | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Oki, H, Sang, B.C, Lane, W. | Deposit date: | 2016-08-30 | Release date: | 2016-10-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Novel approach of fragment-based lead discovery applied to renin inhibitors. Bioorg.Med.Chem., 24, 2016
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5SY3
| Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides as renin inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Hideyuki, O, Sang, B.C, Lane, W. | Deposit date: | 2016-08-10 | Release date: | 2016-11-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-based design of a new series of N-(piperidin-3-yl)pyrimidine-5-carboxamides as renin inhibitors. Bioorg.Med.Chem., 24, 2016
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7M60
| Structure of Mouse Importin alpha MLH1-S467A NLS Peptide Complex | Descriptor: | DNA mismatch repair protein Mlh1 NLS peptide, Importin subunit alpha-1 | Authors: | De Oliveira, H.C, Da Silva, T.D, Fukuda, C.A, Fontes, M.R.M. | Deposit date: | 2021-03-25 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and calorimetric studies reveal specific determinants for the binding of a high-affinity NLS to mammalian importin-alpha. Biochem.J., 478, 2021
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5V75
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5V0L
| Crystal structure of the AHR-ARNT heterodimer in complex with the DRE | Descriptor: | Aryl hydrocarbon receptor, Aryl hydrocarbon receptor nuclear translocator, CITRIC ACID, ... | Authors: | Seok, S.-H, Lee, W, Jiang, L, Bradfield, C.A, Xing, Y. | Deposit date: | 2017-02-28 | Release date: | 2017-04-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural hierarchy controlling dimerization and target DNA recognition in the AHR transcriptional complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7KG1
| Structure of human PARG complexed with PARG-002 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG7
| Structure of human PARG complexed with PARG-292 | Descriptor: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KFP
| Structure of human PARG complexed with PARG-119 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide, ... | Authors: | Brosey, C.A, Bommagani, S, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-14 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG0
| Structure of human PARG complexed with PARG-131 | Descriptor: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | Authors: | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-15 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7KG6
| Structure of human PARG complexed with PARG-322 | Descriptor: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | Deposit date: | 2020-10-16 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors. Prog.Biophys.Mol.Biol., 163, 2021
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7L26
| HPK1 IN COMPLEX WITH COMPOUND 38 | Descriptor: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile, Mitogen-activated protein kinase kinase kinase kinase 1 | Authors: | Lesburg, C.A. | Deposit date: | 2020-12-16 | Release date: | 2021-03-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of Potent Reverse Indazole Inhibitors for HPK1. Acs Med.Chem.Lett., 12, 2021
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