5KAP
 
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8TCF
 | | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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8TCG
 | | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | | Deposit date: | 2023-06-30 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
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6VRK
 | | Cryo-EM structure of the wild-type human serotonin transporter complexed with Br-paroxetine and 8B6 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody, heavy chain, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-02-07 | | Release date: | 2020-03-11 | | Last modified: | 2020-09-23 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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5KAM
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5K2F
 | | Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED | | Descriptor: | ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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5G5M
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5JQ0
 | | Crystal structure of human carbonic anhydrase II in complex with Benzoxaborole at pH=8.7 | | Descriptor: | 1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium, Carbonic anhydrase 2, ZINC ION | | Authors: | Alterio, V, Esposito, D, Di Fiore, A, De Simone, G. | | Deposit date: | 2016-05-04 | | Release date: | 2016-10-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Benzoxaborole as a new chemotype for carbonic anhydrase inhibition.
Chem.Commun.(Camb.), 52, 2016
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5FXM
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5JSQ
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2MRO
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8JSW
 | | Human VMAT2 complex with serotonin | | Descriptor: | SEROTONIN, Synaptic vesicular amine transporter | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.84 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JTA
 | | Human VMAT2 complex with tetrabenazine | | Descriptor: | Synaptic vesicular amine transporter, tetrabenazine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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5K2E
 | | Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED | | Descriptor: | ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION | | Authors: | Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2016-05-18 | | Release date: | 2016-09-14 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1 Å) | | Cite: | Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
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8JT9
 | | Human VMAT2 complex with ketanserin | | Descriptor: | 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1~{H}-quinazoline-2,4-dione, Synaptic vesicular amine transporter | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8JTC
 | | Human VMAT2 complex with reserpine | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Jiang, D.H, Wu, D. | | Deposit date: | 2023-06-21 | | Release date: | 2023-11-29 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Transport and inhibition mechanisms of human VMAT2.
Nature, 626, 2024
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8K0B
 | | Cryo-EM structure of TMEM63C | | Descriptor: | Calcium permeable stress-gated cation channel 1 | | Authors: | Qin, Y, Yu, D, Dong, J, Dang, S. | | Deposit date: | 2023-07-08 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.56 Å) | | Cite: | Cryo-EM structure of TMEM63C suggests it functions as a monomer.
Nat Commun, 14, 2023
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5FBN
 | | BTK kinase domain with inhibitor 1 | | Descriptor: | 1,2-ETHANEDIOL, 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R})-1-(3-methyloxetan-3-yl)carbonylpiperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, ... | | Authors: | Raaijmakers, H.C.A, Vu-Pham, D. | | Deposit date: | 2015-12-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
Acs Med.Chem.Lett., 7, 2016
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5FXN
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5GTC
 | | Crystal structure of complex between DMAP-SH conjugated with a Kaposi's sarcoma herpesvirus LANA peptide (5-15) and nucleosome core particle | | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ... | | Authors: | Arimura, Y, Kato, D, Suto, H, Kurumizaka, H, Kawashima, S.A, Yamatsugu, K, Kanai, M. | | Deposit date: | 2016-08-19 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin.
J. Am. Chem. Soc., 139, 2017
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6X4O
 | | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone (compound 21) | | Descriptor: | (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
J.Chem.Inf.Model., 60, 2020
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6W2B
 | | Anomalous bromine signal reveals the position of Br-paroxetine complexed with the serotonin transporter at the central site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 heavy chain antibody fragment, 8B6 light chain antibody fragment, ... | | Authors: | Coleman, J.A, Navratna, V, Yang, D. | | Deposit date: | 2020-03-05 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (4.7 Å) | | Cite: | Chemical and structural investigation of the paroxetine-human serotonin transporter complex.
Elife, 9, 2020
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5K2G
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8OF3
 | | Structure of the apoform of ALDEHYDE DEHYDROGENASE 5F1 (ALDH5F1) from the moss Physcomitrium patens | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, PENTAETHYLENE GLYCOL, ... | | Authors: | Morera, S, Kopecny, D, Vigouroux, A. | | Deposit date: | 2023-03-13 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.348 Å) | | Cite: | A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway
To Be Published
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5K51
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