8EG6
 
 | | huCaspase-6 in complex with inhibitor 2a | | Descriptor: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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8EG5
 | | huCaspase-6 in complex with inhibitor 3a | | Descriptor: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | | Authors: | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | | Deposit date: | 2022-09-11 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
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5MYP
 | | Structure of apo-TbALDH3 | | Descriptor: | Aldehyde dehydrogenase, GLYCEROL | | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | | Deposit date: | 2017-01-27 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Activation of an anti-trypanosomal benzoxaborole requires both host and parasite factors
To Be Published
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5NNO
 | | Structure of TbALDH3 complexed with NAD and AN3057 aldehyde | | Descriptor: | 4-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-5-yl)oxy]benzaldehyde, Aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Zoltner, M, Zhang, N, Horn, D, Field, M.C. | | Deposit date: | 2017-04-10 | | Release date: | 2017-04-19 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
PLoS Pathog., 14, 2018
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5U6A
 | | CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-PEG3-MEDITOPE | | Descriptor: | Heavy Chain, Immunoglobulin G binding protein A, Light Chain, ... | | Authors: | Williams, J.C, Bzymek, K.P, Pucket, J, Avery, K.A, Ma, Y, Xie, J, Zer, C, Horne, D. | | Deposit date: | 2016-12-07 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.736 Å) | | Cite: | Crystal Structure Of I83E Meditope-Enabled Trastuzumab With Azido-PEG3-Meditope
To Be Published
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5U5M
 | | CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-MEDITOPE | | Descriptor: | AZIDO-PEG4-MEDITOPE, Immunoglobulin G binding protein A, MEMAB TRASTUZUMAB, ... | | Authors: | Williams, J.C, Bzymek, K.P, Pucket, J, Avery, K.A, Ma, Y, Xie, J, Zer, C, Horne, D. | | Deposit date: | 2016-12-06 | | Release date: | 2018-03-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal Structure Of I83E Meditope-Enabled Trastuzumab With Azido-Meditope
To Be Published
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3I3S
 | | Crystal Structure of H-Ras with Thr50 replaced by Isoleucine | | Descriptor: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Gremer, L, Dvorsky, R, Merbitz-Zahradnik, T, Wittinghofer, A, Ahmadian, M.R. | | Deposit date: | 2009-06-30 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A restricted spectrum of NRAS mutations causes Noonan syndrome.
Nat.Genet., 42, 2010
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6QM8
 | | Leishmania tarentolae proteasome 20S subunit apo structure | | Descriptor: | Proteasome alpha1 chain, Proteasome alpha2 chain, Proteasome alpha3 chain, ... | | Authors: | Rowland, P, Goswami, P. | | Deposit date: | 2019-02-01 | | Release date: | 2019-04-17 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6QM7
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8GL9
 | | Co-crystal structure of caPCNA bound to AOH1160 derivative 1LE | | Descriptor: | CHLORIDE ION, N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine, Proliferating cell nuclear antigen | | Authors: | Jossart, J, Kenjic, N, Malkas, L.H, Hickey, R.J, Perry, J.J. | | Deposit date: | 2023-03-21 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Small molecule targeting of transcription-replication conflict for selective chemotherapy.
Cell Chem Biol, 30, 2023
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8GLA
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6UZ8
 | | Cryo-EM structure of human TRPC6 in complex with agonist AM-0883 | | Descriptor: | (5-chloro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]methanone, 2-[[(2~{S})-2-decanoyloxy-3-dodecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Bai, Y, Yu, X, Huang, X, Chen, H. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-18 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
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6UZA
 | | Cryo-EM structure of human TRPC6 in complex with antagonist AM-1473 | | Descriptor: | 2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium, 4-({(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl}oxy)benzonitrile, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Bai, Y, Yu, X, Huang, X, Chen, H. | | Deposit date: | 2019-11-14 | | Release date: | 2020-03-18 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structural basis for pharmacological modulation of the TRPC6 channel.
Elife, 9, 2020
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6NSV
 | | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide | | Descriptor: | ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ... | | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | | Deposit date: | 2019-01-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
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6EFK
 | | Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated HSP70 peptide | | Descriptor: | ACE-ILE-GLU-GLU-VAL-ASP, E3 ubiquitin-protein ligase CHIP, SODIUM ION | | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | | Deposit date: | 2018-08-16 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases.
Nat.Chem.Biol., 15, 2019
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6R0M
 | | Histone fold domain of AtNF-YB2/NF-YC3 in P212121 | | Descriptor: | NF-YB2, NF-YC3 | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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6R2V
 | | Arabidopsis NF-Y/CCAAT-box complex | | Descriptor: | FT (-5kb) CCAAT-box 3', FT (-5kb) CCAAT-box 5', NF-YB2, ... | | Authors: | Chaves-Sanjuan, A, Gnesutta, N, Chiara, M, Bernardini, A, Fornara, F, Horner, D, Nardini, M, Mantovani, R. | | Deposit date: | 2019-03-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Structural determinants for NF-Y subunit organization and NF-Y/DNA association in plants.
Plant J., 105, 2021
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7MTR
 | | CryoEM Structure of Full-Length mGlu2 Bound to Ago-PAM ADX55164 and Glutamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ... | | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-07 | | Last modified: | 2021-09-08 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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7MTQ
 | | CryoEM Structure of Full-Length mGlu2 in Inactive-State Bound to Antagonist LY341495 | | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-07 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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7MTS
 | | CryoEM Structure of mGlu2 - Gi Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine, GLUTAMIC ACID, ... | | Authors: | Seven, A.B, Barros-Alvarez, X, Skiniotis, G. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-07 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | G-protein activation by a metabotropic glutamate receptor.
Nature, 595, 2021
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4N1H
 | | Structure of a single-domain camelid antibody fragment cAb-F11N in complex with the BlaP beta-lactamase from Bacillus licheniformis | | Descriptor: | Beta-lactamase, Camelid heavy-chain antibody variable fragment cAb-F11N | | Authors: | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | Deposit date: | 2013-10-04 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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8G5B
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8G5A
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4M3K
 | | Structure of a single domain camelid antibody fragment cAb-H7S in complex with the BlaP beta-lactamase from Bacillus licheniformis | | Descriptor: | Beta-lactamase, CHLORIDE ION, Camelid heavy-chain antibody variable fragment cAb-H7S | | Authors: | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | Deposit date: | 2013-08-06 | | Release date: | 2014-08-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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4M3J
 | | Structure of a single-domain camelid antibody fragment cAb-H7S specific of the BlaP beta-lactamase from Bacillus licheniformis | | Descriptor: | Camelid heavy-chain antibody variable fragment cAb-H7S, SULFATE ION | | Authors: | Pain, C, Kerff, F, Herman, R, Sauvage, E, Preumont, S, Charlier, P, Dumoulin, M. | | Deposit date: | 2013-08-06 | | Release date: | 2014-08-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Probing the mechanism of aggregation of polyQ model proteins with camelid heavy-chain antibody fragments
To be Published
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