6TJ9
 
 | | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 5-O-phosphono-D-xylulose, ... | | Authors: | Rabe von Pappenheim, F, Tittmann, K. | | Deposit date: | 2019-11-25 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
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6Q90
 | | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2018-12-16 | | Release date: | 2019-01-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human galactokinase 1 bound with 1-(4-Methoxyphenyl)-3-(4-pyridinyl)urea
To Be Published
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3EGH
 | | Crystal structure of a complex between Protein Phosphatase 1 alpha (PP1), the PP1 binding and PDZ domains of Spinophilin and the small natural molecular toxin Nodularin-R | | Descriptor: | GLYCEROL, MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, ... | | Authors: | Ragusa, M.J, Page, R, Peti, W. | | Deposit date: | 2008-09-10 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Spinophilin directs protein phosphatase 1 specificity by blocking substrate binding sites.
Nat.Struct.Mol.Biol., 17, 2010
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9FNH
 | | The glycoside hydrolase family 71 (GH71) member AnGH71C from Aspergillus nidulans in complex with nigerotetraose. | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Glycoside hydrolase family 71, ... | | Authors: | Mazurkewich, S, Widen, T, Branden, G, Larsbrink, J. | | Deposit date: | 2024-06-10 | | Release date: | 2025-06-25 | | Last modified: | 2025-09-10 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural and biochemical basis for activity of Aspergillus nidulans alpha-1,3-glucanases from glycoside hydrolase family 71.
Commun Biol, 8, 2025
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5D02
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7M9Q
 | | HIV-1 Protease WT (NL4-3) in Complex with LR4-33 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-[{4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]-1-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}butan-2-yl]carbamate, Protease, SULFATE ION | | Authors: | Lockbaum, G.J, Schiffer, C.A. | | Deposit date: | 2021-03-31 | | Release date: | 2022-04-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | HIV-1 Protease WT (NL4-3) in Complex with LR4-33
To Be Published
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9D2A
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3E2M
 | | LFA-1 I domain bound to inhibitors | | Descriptor: | Integrin alpha-L, cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid | | Authors: | Silvian, L.F. | | Deposit date: | 2008-08-05 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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7BYS
 | | Crystal structure of exo-beta-1,3-galactanase from Phanerochaete chrysosporium Pc1,3Gal43A apo form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CITRIC ACID, ... | | Authors: | Matsuyama, K, Ishida, T, Kishine, N, Fujimoto, Z, Igarashi, K, Kaneko, S. | | Deposit date: | 2020-04-24 | | Release date: | 2020-11-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Unique active-site and subsite features in the arabinogalactan-degrading GH43 exo-beta-1,3-galactanase from Phanerochaete chrysosporium .
J.Biol.Chem., 295, 2020
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7TXD
 | | Cryo-EM structure of BG505 SOSIP HIV-1 Env trimer in complex with CD4 receptor (D1D2) and broadly neutralizing darpin bnD.9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Broadly neutralizing darpin bnd.9, ... | | Authors: | Cerutti, G, Gorman, J, Kwong, P.D, Shapiro, L. | | Deposit date: | 2022-02-08 | | Release date: | 2023-04-12 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | Trapping the HIV-1 V3 loop in a helical conformation enables broad neutralization.
Nat.Struct.Mol.Biol., 30, 2023
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8I8F
 | | Crystal structure of NDM-1 at pH5.5 (Succinate) in complex with hydrolyzed compound 1 | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid, Metallo beta lactamase NDM-1, ZINC ION | | Authors: | Shi, X, Liu, W. | | Deposit date: | 2023-02-04 | | Release date: | 2024-02-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Interplay between the beta-lactam side chain and an active-site mobile loop of NDM-1 in penicillin hydrolysis as a potential target for mechanism-based inhibitor design.
Int.J.Biol.Macromol., 262, 2024
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3UL5
 | | Saccharum officinarum canecystatin-1 in space group C2221 | | Descriptor: | Canecystatin-1, GLYCEROL, SODIUM ION | | Authors: | Valadares, N.F, Pereira, H.M, Oliveira-Silva, R, Garratt, R.C. | | Deposit date: | 2011-11-10 | | Release date: | 2012-11-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-ray crystallography and NMR studies of domain-swapped canecystatin-1.
Febs J., 280, 2013
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6CXK
 | | E. coli DHFR substrate complex with Dihydrofolate | | Descriptor: | CHLORIDE ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ... | | Authors: | Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J. | | Deposit date: | 2018-04-03 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.108 Å) | | Cite: | The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release.
Commun Biol, 1, 2018
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4Z9G
 | | Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395 in a hexagonal setting with translational non-crystallographic symmetry | | Descriptor: | 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, Corticotropin-releasing factor receptor 1,Lysozyme,Corticotropin-releasing factor receptor 1, OLEIC ACID, ... | | Authors: | Dore, A.S, Bortolato, A, Hollenstein, K, Cheng, R.K.Y, Read, R.J, Marshall, F.H. | | Deposit date: | 2015-04-10 | | Release date: | 2016-06-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.183 Å) | | Cite: | Decoding Corticotropin-Releasing Factor Receptor Type 1 Crystal Structures.
Curr Mol Pharmacol, 10, 2017
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8DGA
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IV | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DG7
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex III | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.32 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DGJ
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ib | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.02 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DFV
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIa | | Descriptor: | CALCIUM ION, Endoribonuclease Dcr-1, Loquacious, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-22 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.06 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DG5
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex IIb | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B, ... | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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8DGI
 | | Structural Basis of MicroRNA Biogenesis by Dicer-1 and Its Partner Protein Loqs-PB - complex Ia | | Descriptor: | Endoribonuclease Dcr-1, Loquacious, isoform B | | Authors: | Jouravleva, K, Golovenko, D, Demo, G, Dutcher, R.C, Tanaka Hall, T.M, Zamore, P.D, Korostelev, A.A. | | Deposit date: | 2022-06-23 | | Release date: | 2022-11-16 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.94 Å) | | Cite: | Structural basis of microRNA biogenesis by Dicer-1 and its partner protein Loqs-PB.
Mol.Cell, 82, 2022
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9GCQ
 | | Human Butyrylcholinesterase in complex with N1,N1-dimethyl-N2-(6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-yl)ethane-1,2-diamine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | | Authors: | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | Deposit date: | 2024-08-02 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Human Butyrylcholinesterase in complex with N1,N1-dimethyl-N2-(6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-yl)ethane-1,2-diamine
To Be Published
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3EJV
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7NDL
 | | Crystal structure of human GFAT-1 S205D | | Descriptor: | GLUCOSE-6-PHOSPHATE, GLUTAMIC ACID, Isoform 2 of Glutamine-fructose-6-phosphate aminotransferase [isomerizing] 1 | | Authors: | Ruegenberg, S, Baumann, U, Denzel, M.S. | | Deposit date: | 2021-02-02 | | Release date: | 2021-03-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.223 Å) | | Cite: | Protein kinase A controls the hexosamine pathway by tuning the feedback inhibition of GFAT-1.
Nat Commun, 12, 2021
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6TKK
 | | Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide | | Descriptor: | 1,2-ETHANEDIOL, ACE-ARG-PRO-GLN-PRO-ARG, Neuropilin-1 | | Authors: | Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S. | | Deposit date: | 2019-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Neuropilin 1-b1 domain in a complex with the C-terminal VEGFB186 peptide
To Be Published
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6EZV
 | | The cytotoxin MakA from Vibrio cholerae | | Descriptor: | ACETATE ION, CACODYLATE ION, GLYCEROL, ... | | Authors: | Persson, K, Dongre, M, Wai, S.N. | | Deposit date: | 2017-11-16 | | Release date: | 2018-05-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Flagella-mediated secretion of a novelVibrio choleraecytotoxin affecting both vertebrate and invertebrate hosts.
Commun Biol, 1, 2018
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