7QKE
 
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6O1B
 | | Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Sterile alpha and TIR motif-containing protein 1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-18 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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8D2W
 | | Zebrafish MFSD2A isoform B in inward open ligand 2B conformation | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | Deposit date: | 2022-05-30 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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7B9F
 | | Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex | | Descriptor: | EccB5, EccC5, EccD5, ... | | Authors: | Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M. | | Deposit date: | 2020-12-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the mycobacterial ESX-5 type VII secretion system pore complex.
Sci Adv, 7, 2021
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7BJD
 | | Crystal structure of CHK1-10pt-mutant complex with compound 3 | | Descriptor: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJH
 | | Crystal structure of CHK1-10pt-mutant complex with compound 8 | | Descriptor: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6VYB
 | | SARS-CoV-2 spike ectodomain structure (open state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Walls, A.C, Park, Y.J, Tortorici, M.A, Wall, A, Seattle Structural Genomics Center for Infectious Disease (SSGCID), McGuire, A.T, Veesler, D. | | Deposit date: | 2020-02-25 | | Release date: | 2020-03-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein.
Cell, 181, 2020
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6CUE
 | | Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-03-26 | | Release date: | 2018-07-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
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6PX9
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8CZE
 | | Structure of a Xenopus Nucleosome with Widom 601 DNA | | Descriptor: | Histone H2A, Histone H2B, Histone H3, ... | | Authors: | Gu, Y, Ur, S.N, Milano, C.R, Tromer, E.C, Vale-Silva, L.A, Hochwagen, A, Corbett, K.D. | | Deposit date: | 2022-05-24 | | Release date: | 2023-06-07 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | Chromatin binding by HORMAD proteins regulates meiotic recombination initiation.
Embo J., 43, 2024
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7QNN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | Authors: | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | Deposit date: | 2021-12-21 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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8D2T
 | | Zebrafish MFSD2A isoform B in inward open ligand-free conformation | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | Deposit date: | 2022-05-30 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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6G9X
 | | Crystal structure of a MFS transporter at 2.54 Angstroem resolution | | Descriptor: | 2-sulfanylbenzoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MERCURY (II) ION, ... | | Authors: | Kalbermatter, D, Bosshart, P, Bonetti, S, Fotiadis, D. | | Deposit date: | 2018-04-11 | | Release date: | 2019-07-03 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mechanistic basis of L-lactate transport in the SLC16 solute carrier family.
Nat Commun, 10, 2019
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7BJK
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8D2X
 | | Zebrafish MFSD2A isoform B in inward open ligand 3C conformation | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, FAB heavy chain, FAB light chain, ... | | Authors: | Nguyen, C, Lei, H.T, Lai, L.T.F, Gallentino, M.J, Mu, X, Matthies, D, Gonen, T. | | Deposit date: | 2022-05-30 | | Release date: | 2023-05-10 | | Last modified: | 2023-05-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Lipid flipping in the omega-3 fatty-acid transporter.
Nat Commun, 14, 2023
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7BJE
 | | Crystal structure of CHK1-10pt-mutant complex with adenine | | Descriptor: | ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7B9S
 | | Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex | | Descriptor: | EccB5, EccC5, EccD5, ... | | Authors: | Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M. | | Deposit date: | 2020-12-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the mycobacterial ESX-5 type VII secretion system pore complex.
Sci Adv, 7, 2021
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8FCA
 | | Cryo-EM structure of the human TRPV4 - RhoA in complex with 4alpha-Phorbol 12,13-didecanoate | | Descriptor: | (1aR,1bS,4aS,7aS,7bS,8R,9R,9aS)-9a-(decanoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl decanoate, CHOLESTEROL HEMISUCCINATE, Transient receptor potential cation channel subfamily V member 4 | | Authors: | Kwon, D.H, Lee, S.-Y, Zhang, F. | | Deposit date: | 2022-12-01 | | Release date: | 2023-07-12 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | TRPV4-Rho GTPase complex structures reveal mechanisms of gating and disease.
Nat Commun, 14, 2023
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7BKN
 | | Crystal structure of CHK1 complex with adenine | | Descriptor: | ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Baker, L.M, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-16 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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7BJT
 | | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT | | Descriptor: | Alginate lyase, family PL17, CALCIUM ION, ... | | Authors: | Czjzek, M, Roret, T, Jouanneau, D, Le Duff, N, Jeudy, A. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-function analysis of a new PL17 oligoalginate lyase from the marine bacterium Zobellia galactanivorans DsijT.
Glycobiology, 31, 2021
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6Q3E
 | | Dye type peroxidase Aa from Streptomyces lividans: 274.4 kGy structure | | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | | Deposit date: | 2018-12-04 | | Release date: | 2019-07-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins.
Iucrj, 6, 2019
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7QOP
 | | A mutant of the nitrile hydratase from Geobacillus pallidus having enhanced thermostability | | Descriptor: | CHLORIDE ION, COBALT (II) ION, MAGNESIUM ION, ... | | Authors: | Van Wyk, J.C, Cowan, D.A, Danson, M.J, Tsekoa, T.L, Sayed, M.F, Sewell, B.T. | | Deposit date: | 2021-12-24 | | Release date: | 2023-01-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Engineering enhanced thermostability into the Geobacillus pallidus nitrile hydratase.
Curr Res Struct Biol, 4, 2022
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6NDG
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7Z0L
 | | IL-27 signalling complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-27 receptor subunit alpha, ... | | Authors: | Jin, Y, Gardner, S, Bubeck, D. | | Deposit date: | 2022-02-23 | | Release date: | 2022-07-27 | | Last modified: | 2022-10-19 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the assembly and activation of the IL-27 signaling complex.
Embo Rep., 23, 2022
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8D9Z
 | | Crystal structure of Cobra alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | | Descriptor: | ACETATE ION, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain, ... | | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | | Deposit date: | 2022-06-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Venom protection by antibody from a snakebite hyperimmune subject
To Be Published
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