8KGT
| Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2 | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus. Nat Commun, 15, 2024
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7U8Y
| TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics | Descriptor: | ALIZARIN RED, MANGANESE (II) ION, Three-prime repair exonuclease 1 | Authors: | Hemphill, W.O, Harvey, S.E, Simpson, S.R, Smalley, T.L, Salsbury, F.R, Perrino, F.W, Hollis, T. | Deposit date: | 2022-03-09 | Release date: | 2023-03-15 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics to be published
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8OKG
| Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13 | Descriptor: | Carbonic anhydrase 2, ZINC ION, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate | Authors: | Brynda, J, Rezacova, P.M, Kudova, E. | Deposit date: | 2023-03-28 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbonic Anhydrase II in Complex with Steriod_Sulphamoyl To Be Published
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7UIR
| Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and Tiam1 in complex with ATP | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | Authors: | Ozden, C, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-29 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7UIQ
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7UIS
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7UJT
| Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D) in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, ... | Authors: | Ozden, C, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7UJR
| Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | Descriptor: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | Authors: | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7UJS
| Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | Authors: | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7UJQ
| Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ... | Authors: | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7UJP
| Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | Authors: | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7URW
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7URZ
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5I3S
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8K8M
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6D0V
| Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ... | Authors: | Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L. | Deposit date: | 2018-04-11 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site. To be Published
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8GYR
| Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Kumar, P, Akif, M. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of a variable region segment of Leptospira host-interacting outer surface protein, LigA, reveals the orientation of Ig-like domains. Int.J.Biol.Macromol., 244, 2023
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8H78
| Crystal structure of human MMP-2 catalytic domain in complex with inhibitor | Descriptor: | (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ... | Authors: | Kamitani, M, Takeuchi, T, Mima, M. | Deposit date: | 2022-10-19 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold. J.Med.Chem., 66, 2023
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8EHO
| PRRSV-1 PLP2 domain bound to ubiquitin | Descriptor: | 3-AMINOPROPANE, GLYCEROL, NITRATE ION, ... | Authors: | Bailey-Elkin, B.A, Mark, B.L. | Deposit date: | 2022-09-14 | Release date: | 2023-12-06 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Demonstrating the importance of porcine reproductive and respiratory syndrome virus papain-like protease 2 deubiquitinating activity in viral replication by structure-guided mutagenesis. Plos Pathog., 19, 2023
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8F9N
| H64A swMb-iPrNO adduct | Descriptor: | 2-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.M. | Deposit date: | 2022-11-24 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8F9H
| H64A swMb-MeNO adduct | Descriptor: | Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.M. | Deposit date: | 2022-11-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8F9I
| H64A swMb-EtNO adduct | Descriptor: | Myoglobin, NITROSOETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.N. | Deposit date: | 2022-11-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8F9J
| H64A swMb-PrNO adduct | Descriptor: | 1-nitrosopropane, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Herrera, V.E, Thomas, L.M. | Deposit date: | 2022-11-23 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives. Biochemistry, 62, 2023
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8FW6
| Human Lactate Dehydrogenase A in Complex with Inhibitor CHK-336 | Descriptor: | (2P)-2-{5-(cyclopropylmethyl)-3-(4-fluorophenyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Lowther, W.T, Gumpena, R. | Deposit date: | 2023-01-20 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Human Lactate Dehydrogenase A in complex with inhibitor CHK-336 To Be Published
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8GLR
| FrlB - Deglycase for 6-phosphofructose lysine | Descriptor: | GLYCEROL, SIS domain-containing protein | Authors: | Bell, C.E, Gopalan, V, Kovvali, S. | Deposit date: | 2023-03-22 | Release date: | 2023-07-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Insights into the catalytic mechanism of a bacterial deglycase essential for utilization of fructose-lysine. Protein Sci., 32, 2023
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