9CT0
 
 | | Native human GABAA receptor of beta2-alpha1-beta2-alpha2-gamma2 assembly | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, J, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2024-07-24 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Resolving native GABA A receptor structures from the human brain.
Nature, 638, 2025
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3CUG
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4NI8
 | | Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid | | Descriptor: | 1,2-ETHANEDIOL, 5-carboxyvanillate decarboxylase, 5-methoxybenzene-1,3-dicarboxylic acid, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Vladimirova, A, Raushel, F.M, Almo, S.C. | | Deposit date: | 2013-11-05 | | Release date: | 2014-11-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of 5-carboxyvanillate decarboxylase LigW from Sphingomonas paucimobilis complexed with Mn and 5-methoxyisophtalic acid
To be Published
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4GKS
 | | A2-MHC Complex carrying FLTGIGIITV | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, FLT Cognate peptide, ... | | Authors: | Sewell, A.K, Rizkallah, P.J, Cole, D.K, Wooldridge, L, Price, D.A. | | Deposit date: | 2012-08-13 | | Release date: | 2012-09-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.346 Å) | | Cite: | T-cell Receptor-optimized Peptide Skewing of the T-cell Repertoire Can Enhance Antigen Targeting.
J.Biol.Chem., 287, 2012
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4G1I
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9CTJ
 | | Native human GABAA receptor of beta2-alpha1-beta3-alpha2-gamma2 assembly | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1, ... | | Authors: | Zhou, J, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2024-07-25 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Resolving native GABA A receptor structures from the human brain.
Nature, 638, 2025
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7HD0
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003703 | | Descriptor: | (2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-(1,3-thiazol-5-yl)propan-1-ol, CHLORIDE ION, Non-structural protein 3, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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3MWQ
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7HD5
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003709 | | Descriptor: | (2R)-3-(benzyloxy)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(benzyloxy)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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9CRS
 | | Native human GABAA receptor of beta2-alpha1-beta2-alpha1-gamma2 assembly | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, J, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2024-07-22 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Resolving native GABA A receptor structures from the human brain.
Nature, 638, 2025
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3CYO
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9CRV
 | | Native human GABAA receptor of beta2-alpha1-gamma2-beta2-alpha2 assembly | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, J, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2024-07-22 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Resolving native GABA A receptor structures from the human brain.
Nature, 638, 2025
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2MQB
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3D0N
 | | Crystal structure of human carbonic anhydrase XIII | | Descriptor: | ACETATE ION, Carbonic anhydrase 13, GLYCEROL, ... | | Authors: | Di Fiore, A, De Simone, G. | | Deposit date: | 2008-05-02 | | Release date: | 2008-07-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide.
Proteins, 74, 2008
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3VR5
 | | Crystal structure of nucleotide-free Enterococcus hirae V1-ATPase [eV1(L)] | | Descriptor: | V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B, V-type sodium ATPase subunit D, ... | | Authors: | Saijo, S, Arai, S, Suzuki, K, Mizutani, K, Kakinuma, Y, Ishizuka-Katsura, Y, Ohsawa, N, Terada, T, Shirouzu, M, Yokoyama, S, Iwata, S, Yamato, I, Murata, T. | | Deposit date: | 2012-04-03 | | Release date: | 2013-01-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.9 Å) | | Cite: | Rotation mechanism of Enterococcus hirae V(1)-ATPase based on asymmetric crystal structures
Nature, 493, 2013
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9CSB
 | | Native human GABAA receptor of beta3-alpha1-beta2-alpha2-gamma2 assembly | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, J, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2024-07-23 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-14 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Resolving native GABA A receptor structures from the human brain.
Nature, 638, 2025
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5QIR
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102305 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-fluoro-3-methylphenyl)methyl]acetamide, ... | | Authors: | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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2WPA
 | | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | | Authors: | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | | Deposit date: | 2009-08-03 | | Release date: | 2010-02-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing.
Bioorg.Med.Chem., 18, 2010
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1MMJ
 | | Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706 | | Descriptor: | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ... | | Authors: | Kinoshita, T. | | Deposit date: | 2002-09-04 | | Release date: | 2002-12-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | True interaction mode of porcine pancreatic elastase with FR136706, a
potent peptidyl inhibitor
Bioorg.Med.Chem.Lett., 13, 2003
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1MMX
 | | Crystal structure of galactose mutarotase from Lactococcus lactis complexed with D-fucose | | Descriptor: | Aldose 1-epimerase, SODIUM ION, alpha-L-fucopyranose | | Authors: | Thoden, J.B, Kim, J, Raushel, F.M, Holden, H.M. | | Deposit date: | 2002-09-04 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and kinetic studies of sugar binding to galactose mutarotase from Lactococcus lactis.
J.Biol.Chem., 277, 2002
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9CTV
 | | Native human GABAA receptor of beta2-alpha1-gamma2-beta1-alpha2 assembly | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhou, J, Hibbs, R.E, Noviello, C.M. | | Deposit date: | 2024-07-25 | | Release date: | 2025-01-22 | | Last modified: | 2025-05-28 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Resolving native GABA A receptor structures from the human brain.
Nature, 638, 2025
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3QXS
 | | Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ANP | | Descriptor: | 1,2-ETHANEDIOL, Dethiobiotin synthetase, MAGNESIUM ION, ... | | Authors: | Klimecka, M.M, Porebski, P.J, Chruszcz, M, Jablonska, K, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-03-02 | | Release date: | 2011-03-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
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7HDR
 | | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003640 | | Descriptor: | (2R)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, (2S)-3-(4-fluorophenyl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol, CHLORIDE ION, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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1H8X
 | | Domain-swapped Dimer of a Human Pancreatic Ribonuclease Variant | | Descriptor: | RIBONUCLEASE 1 | | Authors: | Canals, A, Pous, J, Guasch, A, Benito, A, Ribo, M, Vilanova, M, Coll, M. | | Deposit date: | 2001-02-16 | | Release date: | 2002-02-14 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Structure of an Engineered Domain-Swapped Ribonuclease Dimer and its Implications for the Evolution of Proteins Toward Oligomerization
Structure, 9, 2001
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5QIP
 | | Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102153 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ubiquitin thioesterase OTUB2, ... | | Authors: | Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. | | Deposit date: | 2018-08-10 | | Release date: | 2019-12-18 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Covalent fragment group deposition
To Be Published
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