7Z72
 
 | | Crystal structure of p63 SAM in complex with darpin A5 | | Descriptor: | DI(HYDROXYETHYL)ETHER, Darpin A5, Isoform 9 of Tumor protein 63 | | Authors: | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-14 | | Release date: | 2022-07-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
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6X28
 | | Crystal structure of PT2243 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2020-05-20 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Crystal structure of PT2243 bound to HIF2-PasB*:ARNT-PasB* complex
To Be Published
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6X37
 | | Crystal structure of PT3245 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2020-05-21 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Crystal structure of PT3245 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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6X1J
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6X2H
 | | Crystal structure of PT2863 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile | | Authors: | Du, X. | | Deposit date: | 2020-05-20 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of PT2863 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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6X3D
 | | Crystal structure of PT3388 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2020-05-21 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of PT3388 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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6X21
 | | Crystal structure of PT1673 bound to HIF2a-B*:ARNT-B* complex | | Descriptor: | 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene, Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1 | | Authors: | Du, X. | | Deposit date: | 2020-05-19 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of PT1673 bound to HIF2a-B*:ARNT-B* complex
To Be Published
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6X10
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with haloperidol | | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, GLYCEROL, ... | | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | Deposit date: | 2020-05-17 | | Release date: | 2021-06-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Rsc Med Chem, 12, 2021
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6X5D
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7YU5
 | | Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state1 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2022-08-16 | | Release date: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
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7YU3
 | | Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2022-08-16 | | Release date: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
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7YU8
 | | Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state4 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2022-08-16 | | Release date: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
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7YU6
 | | Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state2 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2022-08-16 | | Release date: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
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7YU4
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7YU7
 | | Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state3 | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Akasaka, H, Shihoya, W, Nureki, O. | | Deposit date: | 2022-08-16 | | Release date: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
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6WGO
 | | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | | Descriptor: | ACETATE ION, Lysozyme, SODIUM ION, ... | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2020-04-06 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules.
Inorg.Chem., 60, 2021
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7YX8
 | | Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut.
Nat Commun, 13, 2022
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7YP3
 | | Crystal structure of elaiophylin glycosyltransferase in complex with elaiophylin | | Descriptor: | ACETATE ION, Elaiophylin, GLYCEROL, ... | | Authors: | Xu, T, Liu, Q, Gan, Q, Liu, J. | | Deposit date: | 2022-08-02 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Substrate-induced dimerization of elaiophylin glycosyltransferase reveals a novel self-activating form of glycosyltransferase for symmetric glycosylation.
Acta Crystallogr D Struct Biol, 78, 2022
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6X7O
 | | LnmK in complex with 2-sulfonate-propionyl-CoA | | Descriptor: | (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, ... | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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7Z39
 | | Structure of Belumosudil bound to CK2alpha | | Descriptor: | 2-[3-[4-(1~{H}-indazol-5-ylamino)quinazolin-2-yl]phenoxy]-~{N}-propan-2-yl-ethanamide, ACETATE ION, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2022-03-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the Rho-associated coiled-coil kinase 2 inhibitor belumosudil bound to CK2 alpha.
Acta Crystallogr.,Sect.F, 78, 2022
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7ZCS
 | | Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final) | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCP
 | | Nitrite-bound MSOX movie series dataset 17 (13.6 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitric oxide (NO) intermediate | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | | Authors: | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | | Deposit date: | 2022-03-28 | | Release date: | 2022-08-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4PH1
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6X7N
 | | LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | Descriptor: | Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | | Authors: | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | Deposit date: | 2020-05-30 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
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6XFK
 | | Crystal structure of the type III secretion system pilotin-secretin complex InvH-InvG | | Descriptor: | SULFATE ION, Type 3 secretion system pilotin, Type 3 secretion system secretin | | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
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