7QOM
 
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (II) ION, Nitrile hydratase, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2022-03-17 | | Release date: | 2023-03-29 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability
To be published
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6T2B
 | | Glycoside hydrolase family 109 from Akkermansia muciniphila in complex with GalNAc and NAD+. | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycosyl hydrolase family 109 protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Chaberski, E.K, Fredslund, F, Teze, D, Shuoker, B, Kunstmann, S, Karlsson, E.N, Hachem, M.A, Welner, D.H. | | Deposit date: | 2019-10-08 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Catalytic Acid-Base in GH109 Resides in a Conserved GGHGG Loop and Allows for Comparable alpha-Retaining and beta-Inverting Activity in an N-Acetylgalactosaminidase from Akkermansia muciniphila
Acs Catalysis, 2020
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8FFL
 | | Wildtype rat TRPV2 in nanodiscs bound to RR | | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | | Authors: | Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-12-09 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Molecular details of ruthenium red pore block in TRPV channels.
Embo Rep., 25, 2024
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6Q5S
 | | Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet | | Descriptor: | apCC-Tet | | Authors: | Beesley, J.L, Guto, G.R, Wood, C.W, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2018-12-09 | | Release date: | 2019-05-22 | | Last modified: | 2019-06-19 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
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8UZU
 | | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant | | Descriptor: | CYANIDE ION, Group 1 truncated hemoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Schultz, T.D, Martinez, J.E, Siegler, M.A, Schlessman, J.L, Lecomte, J.T.J. | | Deposit date: | 2023-11-16 | | Release date: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of Shewanella benthica Group 1 truncated hemoglobin L80A C51S C71S variant
To Be Published
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8FFN
 | | RR-bound wildtype rabbit TRPV5 in nanodiscs | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5, ... | | Authors: | Fluck, E.C, De Jesus-Perez, J.J, Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, Moiseenkova-Bell, V.Y. | | Deposit date: | 2022-12-09 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Molecular details of ruthenium red pore block in TRPV channels.
Embo Rep., 25, 2024
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6WBP
 | | Crystal structure of coiled coil region of human septin 6 | | Descriptor: | CITRIC ACID, SULFATE ION, Septin-6 | | Authors: | Cabrejos, D.A.L, Cavini, I, Sala, F.A, Valadares, N.F, Pereira, H.M, Brandao-Neto, J, Nascimento, A.F.Z, Uson, I, Araujo, A.P.U, Garratt, R.C. | | Deposit date: | 2020-03-27 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Orientational Ambiguity in Septin Coiled Coils and its Structural Basis.
J.Mol.Biol., 433, 2021
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6QBS
 | | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K | | Descriptor: | (2~{S})-4-methyl-~{N}-prop-2-enyl-2-[[(1~{S})-2,2,2-tris(fluoranyl)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Mons, E, Jansen, I.D.C, Loboda, J, van Doodewaerd, B.R, Verdoes, M, van Boeckel, C.A.A, van Veelen, P.A, Turk, B, Turk, D, Hermans, J, Ovaa, H. | | Deposit date: | 2018-12-21 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Alkyne Moiety as a Latent Electrophile in Irreversible Covalent Small Molecule Inhibitors of Cathepsin K.
J. Am. Chem. Soc., 141, 2019
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7B03
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7QAJ
 | | ZK002 with Anti-angiogenic and Anti-inflamamtory Properties | | Descriptor: | SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta | | Authors: | Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S. | | Deposit date: | 2021-11-17 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
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6GWJ
 | | Human OSGEP / LAGE3 / GON7 complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ... | | Authors: | Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H. | | Deposit date: | 2018-06-25 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
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6QG4
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6QHT
 | | Time resolved structural analysis of the full turnover of an enzyme - 376 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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6QI2
 | | Time resolved structural analysis of the full turnover of an enzyme - 13536 ms | | Descriptor: | Fluoroacetate dehalogenase, GLYCOLIC ACID | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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8FKE
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7S04
 | | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (IspC) from Acinetobacter baumannii in complex with FR900098, NADPH, and a magnesium ion | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, 3-[ethanoyl(hydroxy)amino]propylphosphonic acid, MAGNESIUM ION, ... | | Authors: | Noble, S.M, Ball, H.S, Couch, R.D. | | Deposit date: | 2021-08-28 | | Release date: | 2021-11-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Characterization and Inhibition of 1-Deoxy-d-Xylulose 5-Phosphate Reductoisomerase: A Promising Drug Target in Acinetobacter baumannii and Klebsiella pneumoniae .
Acs Infect Dis., 7, 2021
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8FKD
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6QHZ
 | | Time resolved structural analysis of the full turnover of an enzyme - 6788 ms | | Descriptor: | Fluoroacetate dehalogenase, fluoroacetic acid | | Authors: | Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D. | | Deposit date: | 2019-01-17 | | Release date: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
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8FKF
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8FKC
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8FKG
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7BWQ
 | | Structure of nonstructural protein Nsp9 from SARS-CoV-2 | | Descriptor: | Nsp9, SULFATE ION | | Authors: | Zhang, C, Chen, Y, Li, L, Su, D. | | Deposit date: | 2020-04-15 | | Release date: | 2021-07-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.954 Å) | | Cite: | Structural basis for the multimerization of nonstructural protein nsp9 from SARS-CoV-2.
Mol Biomed, 1, 2020
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7RG1
 | | Importin alpha2 in complex with MERS ORF4B H26A mutant | | Descriptor: | Importin subunit alpha-1, ORF4b | | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | Deposit date: | 2021-07-14 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Importin alpha2 in complex with MERS ORF4B NLS H26A mutant
To Be Published
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7RG0
 | | Importin alpha2 in complex with MERS ORF4B R24A mutant | | Descriptor: | Importin subunit alpha-1, ORF4b | | Authors: | Munasinghe, T.S, Tsimbalyuk, S, Roby, J.A, Aragao, D, Forwood, J.K. | | Deposit date: | 2021-07-14 | | Release date: | 2021-07-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | MERS-CoV ORF4b employs an unusual binding mechanism to target IMP alpha and block innate immunity.
Nat Commun, 13, 2022
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8VHA
 | | Crystal Structure of Human IDH1 R132Q in complex with NADPH and Alpha-Ketoglutarate | | Descriptor: | (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid, 2-OXOGLUTARIC ACID, CALCIUM ION, ... | | Authors: | Mealka, M, Sohl, C.D, Huxford, T. | | Deposit date: | 2023-12-31 | | Release date: | 2024-04-24 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Active site remodeling in tumor-relevant IDH1 mutants drives distinct kinetic features and potential resistance mechanisms.
Nat Commun, 15, 2024
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