7W6V
 
 | | Crystal structure of a dicobalt-substituted small laccase at 2.47 angstrom | | Descriptor: | COBALT (II) ION, Putative copper oxidase | | Authors: | Yang, X, Wu, F, Wu, W, Chen, X, Fan, S, Yu, P, Mao, L. | | Deposit date: | 2021-12-02 | | Release date: | 2022-11-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | A versatile artificial metalloenzyme scaffold enabling direct bioelectrocatalysis in solution.
Sci Adv, 8, 2022
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7WMV
 | | Structure of human SGLT1-MAP17 complex bound with LX2761 | | Descriptor: | N-[2-(dimethylamino)ethyl]-2-methyl-2-[4-[4-[[2-methyl-5-[(2S,3R,4R,5S,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]phenyl]methyl]phenyl]butanoylamino]propanamide, PDZK1-interacting protein 1, Sodium/glucose cotransporter 1 | | Authors: | Chen, L, Niu, Y, Cui, W. | | Deposit date: | 2022-01-17 | | Release date: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural mechanism of SGLT1 inhibitors.
Nat Commun, 13, 2022
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7W1K
 | | Crystal structure of carboxylesterase from Thermobifida fusca | | Descriptor: | Carboxylesterase | | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | Deposit date: | 2021-11-19 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
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7LMM
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7W1I
 | | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X and C9C | | Descriptor: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid, Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | Deposit date: | 2021-11-19 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
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7LMK
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7WN7
 | | Crystal structure of HearNPV P26 | | Descriptor: | CHLORIDE ION, SULFATE ION, p26 | | Authors: | Kuang, W, Hu, Z, Gong, P. | | Deposit date: | 2022-01-17 | | Release date: | 2022-11-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Dual roles and evolutionary implications of P26/poxin in antagonizing intracellular cGAS-STING and extracellular melanization immunity.
Nat Commun, 13, 2022
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7W1Q
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7W1J
 | | Crystal structure of carboxylesterase from Thermobifida fusca with J1K | | Descriptor: | 4-(2-hydroxyethylcarbamoyl)benzoic acid, Carboxylesterase | | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | Deposit date: | 2021-11-19 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
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7W1L
 | | Crystal structure of carboxylesterase mutant from Thermobifida fusca with C8X | | Descriptor: | Carboxylesterase, bis(2-hydroxyethyl) benzene-1,4-dicarboxylate | | Authors: | Han, X, Gerlis, H, Li, Z, Gao, J, Wei, R, Liu, W. | | Deposit date: | 2021-11-19 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural Insights into (Tere)phthalate-Ester Hydrolysis by a Carboxylesterase and Its Role in Promoting PET Depolymerization
Acs Catalysis, 12, 2022
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7LUP
 | | Human TRiC/CCT complex with reovirus outer capsid protein sigma-3 | | Descriptor: | Outer capsid protein sigma-3, T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, ... | | Authors: | Knowlton, J.J, Gestaut, D, Ma, B, Taylor, G, Seven, A.B, Leitner, A, Wilson, G.J, Shanker, S, Yates, N.A, Prasad, B.V.V, Aebersold, R, Chiu, W, Frydman, J, Dermody, T.S. | | Deposit date: | 2021-02-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural and functional dissection of reovirus capsid folding and assembly by the prefoldin-TRiC/CCT chaperone network.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7WEJ
 | | Crystal structure of the mouse Wdr47 NTD. | | Descriptor: | WD repeat-containing protein 47 | | Authors: | Ren, J.Q, Li, D, Feng, W. | | Deposit date: | 2021-12-23 | | Release date: | 2022-11-30 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Intertwined Wdr47-NTD dimer recognizes a basic-helical motif in Camsap proteins for proper central-pair microtubule formation.
Cell Rep, 41, 2022
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7WEK
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7W9Q
 | | Crystal structure of V30M-TTR in complex with naringenin derivative-14 | | Descriptor: | (2~{R})-2-(3-chloranyl-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, CALCIUM ION, Transthyretin | | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.599 Å) | | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
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7WGU
 | | Crystal structure of metal-binding protein EfeO from Escherichia coli | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Iron uptake system protein EfeO, ... | | Authors: | Nakatsuji, S, Takase, R, Mikami, B, Hashimoto, W. | | Deposit date: | 2021-12-29 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structures of EfeB and EfeO in a bacterial siderophore-independent iron transport system
Biochem.Biophys.Res.Commun., 594, 2022
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7JS8
 | | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN ETHYL KETONE INHIBITOR CONTAINING A SPIRO-BICYCLIC GROUP (COMPOUND 22) | | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[4-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]nonyl}-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-08-14 | | Release date: | 2021-08-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.634 Å) | | Cite: | Discovery of Ethyl Ketone-Based Highly Selective HDACs 1, 2, 3 Inhibitors for HIV Latency Reactivation with Minimum Cellular Potency Serum Shift and Reduced hERG Activity.
J.Med.Chem., 64, 2021
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7W9R
 | | Crystal structure of V30M-TTR in complex with naringenin derivative-18 | | Descriptor: | (2~{R})-2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one, Transthyretin | | Authors: | Katayama, W, Shimane, A, Nabeshima, Y, Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2021-12-10 | | Release date: | 2022-12-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Chlorinated Naringenin Analogues as Potential Inhibitors of Transthyretin Amyloidogenesis.
J.Med.Chem., 65, 2022
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7JRE
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7K1B
 | | CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex II) | | Descriptor: | DNA (5'-D(P*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
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7JNC
 | | cryo-EM structure of human proton-activated chloride channel PAC at pH 4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Proton-activated chloride channel | | Authors: | Lu, W, Ruan, R, Du, J. | | Deposit date: | 2020-08-04 | | Release date: | 2020-11-11 | | Last modified: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structures and pH-sensing mechanism of the proton-activated chloride channel.
Nature, 588, 2020
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7JSV
 | | Cryo-EM structure of conjugative pili from carbapenem-resistant Klebsiella pneumoniae | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, Pilin | | Authors: | Zheng, W, Pena, A, Frankel, G, Egelman, E.H. | | Deposit date: | 2020-08-16 | | Release date: | 2020-09-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryoelectron-Microscopic Structure of the pKpQIL Conjugative Pili from Carbapenem-Resistant Klebsiella pneumoniae.
Structure, 28, 2020
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7JW3
 | | Crystal structure of Aedes aegypti Nibbler NTD domain | | Descriptor: | Exonuclease mut-7 homolog | | Authors: | Xie, W, Sowemimo, I, Hayashi, R, Wang, J, Brennecke, J, Ameres, S.L, Patel, D.J. | | Deposit date: | 2020-08-24 | | Release date: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structure-function analysis of microRNA 3'-end trimming by Nibbler.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7JWN
 | | Crystal structure of Human Serum Albumin in complex with ketoprofen | | Descriptor: | (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, (R)-Ketoprofen, 1,2-ETHANEDIOL, ... | | Authors: | Czub, M.P, Shabalin, I.G, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-08-25 | | Release date: | 2020-09-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Organism-specific differences in the binding of ketoprofen to serum albumin.
Iucrj, 9, 2022
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7K1K
 | | CryoEM structure of inactivated-form DNA-PK (Complex IV) | | Descriptor: | DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*A)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit, ... | | Authors: | Chen, X, Gellert, M, Yang, W. | | Deposit date: | 2020-09-07 | | Release date: | 2021-01-06 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
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7K40
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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