7MYI
 
 | | BACE-1 in complex with compound #6 | | Descriptor: | (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine, Beta-secretase 1, GLYCEROL | | Authors: | Hendle, J, Timm, D.E, Stout, S.L. | | Deposit date: | 2021-05-21 | | Release date: | 2021-07-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
J.Med.Chem., 64, 2021
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8T1M
 | | Novel Domain of Unknown Function Solved with AlphaFold | | Descriptor: | DUF1842 domain-containing protein | | Authors: | Miller, J.E, Agdanowski, M.P, Cascio, D, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-06-02 | | Release date: | 2024-01-17 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography.
Acta Crystallogr D Struct Biol, 80, 2024
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7BKX
 | | Diploptera punctata inspired lipocalin-like Milk protein expressed in Saccharomyces cerevisiae | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Banerjee, S, Kanagavijayan, D, Subramanian, R, Santhakumari, P.R, Chavas, L.M.G, Ramaswamy, S. | | Deposit date: | 2021-01-17 | | Release date: | 2021-12-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of recombinantly expressed cockroach Lili-Mip protein in glycosylated and deglycosylated forms.
Biochim Biophys Acta Gen Subj, 1866, 2022
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7BAG
 | | C3b in complex with CP40 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, AMINO GROUP, ... | | Authors: | Lamers, C, Xue, X, Smiesko, M, van Son, H, Wagner, B, Sfyroera, G, Gros, P, Lambris, J, Ricklin, D. | | Deposit date: | 2020-12-15 | | Release date: | 2022-01-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insight into mode-of-action and structural determinants of the compstatin family of clinical complement inhibitors.
Nat Commun, 13, 2022
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6E8U
 | | Structure of the Mango-III (A10U) aptamer bound to TO1-Biotin | | Descriptor: | 4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Trachman, R.J, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-31 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure and functional reselection of the Mango-III fluorogenic RNA aptamer.
Nat. Chem. Biol., 15, 2019
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5DZJ
 | | Crystal structure of Mycobacterium tuberculosis L,D-transpeptidase 2 with carbapenem drug T206 in conformation A | | Descriptor: | (2~{R},3~{R},4~{R})-4-methyl-3-(2-oxidanylidene-2-propoxy-ethyl)sulfanyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, L,D-transpeptidase 2 | | Authors: | Kumar, P, Ginell, S.L, Lamichhane, G. | | Deposit date: | 2015-09-25 | | Release date: | 2016-10-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.095 Å) | | Cite: | Non-classical transpeptidases yield insight into new antibacterials.
Nat. Chem. Biol., 13, 2017
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8PN7
 | | Engineered glycolyl-CoA carboxylase (G20R variant) with bound CoA | | Descriptor: | 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL, COENZYME A, Propionyl-CoA carboxylase alpha subunit, ... | | Authors: | Zarzycki, J, Marchal, D.G, Schulz, L, Prinz, S, Erb, T.J. | | Deposit date: | 2023-06-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-27 | | Method: | ELECTRON MICROSCOPY (2.03 Å) | | Cite: | Machine Learning-Supported Enzyme Engineering toward Improved CO 2 -Fixation of Glycolyl-CoA Carboxylase.
Acs Synth Biol, 12, 2023
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8FZ4
 | | The von Willebrand factor A domain of Anthrax toxin receptor 2 | | Descriptor: | Anthrax toxin receptor 2, CHLORIDE ION, MAGNESIUM ION | | Authors: | Pedroza-Romo, M.J, Soleimani, S, Lewis, A, Smith, T, Brown, S, Doukov, T, Moody, J.D. | | Deposit date: | 2023-01-27 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
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6TP2
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5Z22
 | | Crystal Structure of Laccase from Cerrena sp. RSD1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Lee, C.C, Wu, M.H, Ho, T.H, Wang, A.H.J. | | Deposit date: | 2017-12-28 | | Release date: | 2019-01-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Enhancement of laccase activity by pre-incubation with organic solvents.
Sci Rep, 9, 2019
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4U9M
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5BXA
 | | Structure of PslG from Pseudomonas aeruginosa in complex with mannose | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Baker, P, Little, D.J, Howell, P.L. | | Deposit date: | 2015-06-08 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of the Pseudomonas aeruginosa Glycoside Hydrolase PslG Reveals That Its Levels Are Critical for Psl Polysaccharide Biosynthesis and Biofilm Formation.
J.Biol.Chem., 290, 2015
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4R2B
 | | Crystal structure of sugar transporter Oant_3817 from Ochrobactrum anthropi, target EFI-510528, with bound glucose | | Descriptor: | Extracellular solute-binding protein family 1, alpha-D-glucopyranose | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Siedel, R.D, Hillerich, B, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2014-08-11 | | Release date: | 2014-08-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Crystal Structure of Glucose Transporter Oant_3817 from Ochrobactrum Anthropi, Target EFI-510528
To be Published
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7ZLE
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP | | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roversi, P, Zitzmann, N, Bayo, Y, Le Cornu, J.D. | | Deposit date: | 2022-04-14 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.823 Å) | | Cite: | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein quality control checkpoint
To Be Published
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6FNG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with an isomer of NVP-BHG712 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-02-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.038 Å) | | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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7N1H
 | | CryoEM structure of Venezuelan equine encephalitis virus VLP in complex with the LDLRAD3 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Capsid, ... | | Authors: | Basore, K, Nelson, C.A, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-05-27 | | Release date: | 2021-10-13 | | Last modified: | 2021-11-10 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure of Venezuelan equine encephalitis virus in complex with the LDLRAD3 receptor.
Nature, 598, 2021
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6C6A
 | | Structure of glycolipid aGSA[16,6P] in complex with mouse CD1d | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ... | | Authors: | Zajonc, D.M, Wang, J. | | Deposit date: | 2018-01-18 | | Release date: | 2019-01-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A molecular switch in mouse CD1d modulates natural killer T cell activation by alpha-galactosylsphingamides.
J.Biol.Chem., 294, 2019
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6J15
 | | Complex structure of GY-5 Fab and PD-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GY-5 heavy chain Fab, ... | | Authors: | Chen, D, Tan, S, Zhang, H, Wang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2018-12-27 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy.
Iscience, 14, 2019
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6FNJ
 | | Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with an isomer of NVP-BHG712 | | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-3-[(2-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4 | | Authors: | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H. | | Deposit date: | 2018-02-04 | | Release date: | 2018-08-08 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.239 Å) | | Cite: | NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
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6TOS
 | | Crystal structure of the Orexin-1 receptor in complex with GSK1059865 | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, CITRIC ACID, Orexin receptor type 1, ... | | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | Deposit date: | 2019-12-11 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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5E2X
 | | The crystal structure of the C-terminal domain of Ebola (Tai Forest) nucleoprotein | | Descriptor: | NONAETHYLENE GLYCOL, NP | | Authors: | Baker, L.E, Handing, K.B, Derewenda, U, Utepbergenov, D, Derewenda, Z.S. | | Deposit date: | 2015-10-01 | | Release date: | 2015-10-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses.
Acta Crystallogr D Struct Biol, 72, 2016
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7FBS
 | | structure of a channel | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1-[2-[(2R)-2-oxidanyl-3-(propylamino)propoxy]phenyl]-3-phenyl-propan-1-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jiang, D.J, Catterall, W.A. | | Deposit date: | 2021-07-12 | | Release date: | 2021-09-22 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Open-state structure and pore gating mechanism of the cardiac sodium channel.
Cell, 184, 2021
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6VGC
 | | Crystal Structures of FLAP bound to DG-031 | | Descriptor: | (2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid, 5-lipoxygenase-activating protein, CALCIUM ION, ... | | Authors: | Ho, J.D, Lee, M.R, Rauch, C.T, Aznavour, K, Park, J.S, Luz, J.G, Antonysamy, S, Condon, B, Maletic, M, Zhang, A, Hickey, M.J, Hughes, N.E, Chandrasekhar, S, Sloan, A.V, Gooding, K, Harvey, A, Yu, X.P, Kahl, S.D, Norman, B.H. | | Deposit date: | 2020-01-07 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structure-based, multi-targeted drug discovery approach to eicosanoid inhibition: Dual inhibitors of mPGES-1 and 5-lipoxygenase activating protein (FLAP).
Biochim Biophys Acta Gen Subj, 1865, 2020
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7N04
 | | Crystal structure of the apo F240 antibody fragment | | Descriptor: | Fab F240 heavy chain, Fab F240 light chain, alpha-D-glucopyranose | | Authors: | Cook, J.D, Lee, J.E. | | Deposit date: | 2021-05-25 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.70000517 Å) | | Cite: | Conformational plasticity of the HIV-1 gp41 immunodominant region is recognized by multiple non-neutralizing antibodies.
Commun Biol, 5, 2022
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5T6U
 | | Crystal structure of mouse cathepsin K at 2.9 Angstroms resolution. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cathepsin K, SULFATE ION | | Authors: | Law, S, Aguda, A, Nguyen, N, Brayer, G, Bromme, D. | | Deposit date: | 2016-09-01 | | Release date: | 2017-01-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of mouse cathepsin K structural elements that regulate the potency of odanacatib.
Biochem. J., 474, 2017
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