8W2U
 
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8VQV
 | | Structure of S. odontolytica ZTP riboswitch bound to m-1-pyridinyl-AICA | | Descriptor: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide, MAGNESIUM ION, RNA (64-MER) | | Authors: | Jones, C.P, Ferre D'Amare, A.R. | | Deposit date: | 2024-01-19 | | Release date: | 2025-06-11 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Machine Learning-Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands.
Angew.Chem.Int.Ed.Engl., 64, 2025
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4V9H
 | | Crystal structure of the ribosome bound to elongation factor G in the guanosine triphosphatase state | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Tourigny, D.S, Fernandez, I.S, Kelley, A.C, Ramakrishnan, V. | | Deposit date: | 2013-03-25 | | Release date: | 2014-07-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.857 Å) | | Cite: | Elongation factor G bound to the ribosome in an intermediate state of translocation.
Science, 340, 2013
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8VVJ
 | | Structure of S. odontolytica ZTP riboswitch bound to m-1-pyridinyl-AICA | | Descriptor: | (1M)-5-amino-1-(1,8-naphthyridin-3-yl)-1H-imidazole-4-carboxamide, MAGNESIUM ION, RNA (64-MER) | | Authors: | Jones, C.P, Ferre D'Amare, A.R. | | Deposit date: | 2024-01-31 | | Release date: | 2025-06-11 | | Last modified: | 2025-08-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Machine Learning-Augmented Molecular Dynamics Simulations (MD) Reveal Insights Into the Disconnect Between Affinity and Activation of ZTP Riboswitch Ligands.
Angew.Chem.Int.Ed.Engl., 64, 2025
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8VPL
 | | Glutaminyl cyclase ApgG, diamond shape | | Descriptor: | Peptide hydrolase, ZINC ION | | Authors: | Nie, Q, Chang, C, Gao, Y, Gao, X. | | Deposit date: | 2024-01-16 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Glutaminyl cyclase ApgG, diamond shape
To Be Published
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6SS9
 | | Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Rizkallah, P.J, Bovay, A. | | Deposit date: | 2019-09-06 | | Release date: | 2020-07-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening.
Mol.Immunol., 125, 2020
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1DIY
 | | CRYSTAL STRUCTURE OF ARACHIDONIC ACID BOUND IN THE CYCLOOXYGENASE ACTIVE SITE OF PGHS-1 | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARACHIDONIC ACID, ... | | Authors: | Malkowski, M.G, Ginell, S.L, Smith, W.L, Garavito, R.M. | | Deposit date: | 1999-11-30 | | Release date: | 2000-09-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The productive conformation of arachidonic acid bound to prostaglandin synthase.
Science, 289, 2000
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8VPM
 | | Glutaminyl cyclase ApgG, rod shape | | Descriptor: | Peptide hydrolase, ZINC ION | | Authors: | Nie, Q, Chang, C, Gao, Y, Gao, X. | | Deposit date: | 2024-01-16 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Glutaminyl cyclase ApgG, rod shape
To Be Published
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8W23
 | | Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, TDI-2804 (consensus map). | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Poly [ADP-ribose] polymerase tankyrase-2, N-{2-[4-(2-hydroxypropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinazolin-7-yl}-4-methoxy-6-phenylpyridine-3-carboxamide, ZINC ION | | Authors: | Malone, B.F, Zimmerman, J.L, Dow, L.E, Hite, R.K. | | Deposit date: | 2024-02-19 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.28 Å) | | Cite: | A potent and selective TNKS2 inhibitor for tumor-selective WNT suppression.
Biorxiv, 2025
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8VWO
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4V9R
 | | Crystal structure of antibiotic DITYROMYCIN bound to 70S ribosome | | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | | Authors: | Bulkley, D.P, Brandi, L, Polikanov, Y.S, Fabbretti, A, O'Connor, M, Gualerzi, C.O, Steitz, T.A. | | Deposit date: | 2013-12-05 | | Release date: | 2014-07-09 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The antibiotics dityromycin and GE82832 bind protein S12 and block EF-G-catalyzed translocation.
Cell Rep, 6, 2014
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8W28
 | | Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, XAV (focused refinement map). | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Maltose/maltodextrin-binding periplasmic protein,Poly [ADP-ribose] polymerase tankyrase-2, ZINC ION | | Authors: | Malone, B.F, Zimmerman, J.L, Dow, L.E, Hite, R.K. | | Deposit date: | 2024-02-20 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | A potent and selective TNKS2 inhibitor for tumor-selective WNT suppression.
Biorxiv, 2025
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8W27
 | | Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, XAV (consensus map). | | Descriptor: | 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol, Maltose/maltodextrin-binding periplasmic protein,Poly [ADP-ribose] polymerase tankyrase-2, ZINC ION | | Authors: | Malone, B.F, Zimmerman, J.L, Dow, L.E, Hite, R.K. | | Deposit date: | 2024-02-20 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.21 Å) | | Cite: | A potent and selective TNKS2 inhibitor for tumor-selective WNT suppression.
Biorxiv, 2025
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8VQ5
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8W25
 | | Cryo-EM structure of human tankyrase 2 SAM-PARP filament bound to compound, TDI-2804 (focused refinement map). | | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Poly [ADP-ribose] polymerase tankyrase-2, N-{2-[4-(2-hydroxypropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinazolin-7-yl}-4-methoxy-6-phenylpyridine-3-carboxamide, ZINC ION | | Authors: | Malone, B.F, Zimmerman, J.L, Dow, L.E, Hite, R.K. | | Deposit date: | 2024-02-20 | | Release date: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | A potent and selective TNKS2 inhibitor for tumor-selective WNT suppression.
Biorxiv, 2025
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8W2T
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8VQP
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8VST
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8VQ6
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8VRQ
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4MNI
 | | Crystal structure of a TRAP periplasmic solute binding protein from Polaromonas sp. JS666 (Bpro_4736), Target EFI-510156, with bound benzoyl formate, space group P6522 | | Descriptor: | BENZOYL-FORMIC ACID, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Zhao, S, Stead, M, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Jacobson, M.P, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2013-09-10 | | Release date: | 2013-09-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Biochemistry, 54, 2015
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8VQ7
 | | hCA-II-apo structure | | Descriptor: | Carbonic anhydrase 2, ZINC ION | | Authors: | Ismail, M.M. | | Deposit date: | 2024-01-17 | | Release date: | 2025-07-16 | | Method: | X-RAY DIFFRACTION (1.409 Å) | | Cite: | SBDD of Carbonic Anhydrase II Inhibitors
To Be Published
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4N0Q
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8VRP
 | | HIV-CA Disulfide linked Hexamer bound to 4-Quinazolinone Scaffold inhibitor | | Descriptor: | IODIDE ION, N-[(1S)-1-[(3P,7M)-3-{4-chloro-3-[(ethanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-7-(3-fluoro-4-formylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide, Spacer peptide 1 | | Authors: | Goldstone, D.C, Walsham, L. | | Deposit date: | 2024-01-22 | | Release date: | 2025-07-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of 4-Quinazolinone-bearing Phenylalanine Derivatives as HIV-1 Capsid Inhibitors with Potent and Insensitivity Towards Clinically Relevant Resistant Mutations
To Be Published
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4N1D
 | | Nodal/BMP2 chimera NB250 | | Descriptor: | Nodal/BMP2 chimera protein | | Authors: | Esquivies, L. | | Deposit date: | 2013-10-04 | | Release date: | 2013-12-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.912 Å) | | Cite: | Designer Nodal/BMP2 Chimeras Mimic Nodal Signaling, Promote Chondrogenesis, and Reveal a BMP2-like Structure.
J.Biol.Chem., 289, 2014
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