7PVE
 
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-bromo-1H-imidazole | | Descriptor: | 4-bromo-1H-imidazole, Cholinephosphate cytidylyltransferase | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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7PVG
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with isonicotinic acid | | Descriptor: | Cholinephosphate cytidylyltransferase, pyridine-4-carboxylic acid | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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6P5J
 | | Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 2) | | Descriptor: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | | Authors: | Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. | | Deposit date: | 2019-05-30 | | Release date: | 2019-09-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs.
Embo J., 38, 2019
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7PVF
 | | Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 3-hydroxy-1lambda6-thietane-1,1-dione | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Cholinephosphate cytidylyltransferase, Guanidinium | | Authors: | Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F. | | Deposit date: | 2021-10-02 | | Release date: | 2022-10-05 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
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6P11
 | | Structure of spastin AAA domain (T692A mutant) in complex with JNJ-7706621 inhibitor | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Drosophila melanogaster Spastin AAA domain, ... | | Authors: | Pisa, R, Cupido, T, Kapoor, T.M. | | Deposit date: | 2019-05-17 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Analyzing Resistance to Design Selective Chemical Inhibitors for AAA Proteins.
Cell Chem Biol, 26, 2019
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7PLR
 | | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir | | Descriptor: | Baloxavir acid, FORMIC ACID, GLYCEROL, ... | | Authors: | Feracci, M, Hernandez, S, Vincentelli, R, Ferron, F, Reguera, J, Canard, B, Alvarez, K. | | Deposit date: | 2021-09-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Crystal structure of the N-terminal endonuclease domain of La Crosse virus L-protein bound to compound Baloxavir
To Be Published
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4XEE
 | | Structure of active-like neurotensin receptor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Krumm, B.E, White, J.F, Shah, P, Grisshammer, R. | | Deposit date: | 2014-12-23 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural prerequisites for G-protein activation by the neurotensin receptor.
Nat Commun, 6, 2015
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7SPE
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8DJ9
 | | Carbonic Anhydrase II in complex with Ibuprofen | | Descriptor: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ... | | Authors: | Combs, J.C, McKenna, R, Andring, J.T. | | Deposit date: | 2022-06-30 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Ibuprofen: a weak inhibitor of carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 78, 2022
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4Y14
 | | Structure of protein tyrosine phosphatase 1B complexed with inhibitor (PTP1B:CPT157633) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-bromo-4-[difluoro(phosphono)methyl]-N-methyl-Nalpha-(methylsulfonyl)-L-phenylalaninamide, CHLORIDE ION, ... | | Authors: | Choy, M.S, Connors, C, Page, R, Peti, W. | | Deposit date: | 2015-02-06 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | PTP1B inhibition suggests a therapeutic strategy for Rett syndrome.
J.Clin.Invest., 125, 2015
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7PJM
 | | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
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7SPF
 | | Crystal structure of sperm whale myoglobin variant sMb5(pCaaF) | | Descriptor: | Myoglobin, NITRATE ION, OXYGEN MOLECULE, ... | | Authors: | Bacik, J.P, Fasan, R, Ando, N. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
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7SPG
 | | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P212121 | | Descriptor: | CHLORIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bacik, J.P, Fasan, R, Ando, N. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
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1F7L
 | | HOLO-(ACYL CARRIER PROTEIN) SYNTHASE IN COMPLEX WITH COENZYME A AT 1.5A | | Descriptor: | CALCIUM ION, CHLORIDE ION, COENZYME A, ... | | Authors: | Parris, K.D, Lin, L, Tam, A, Mathew, R, Hixon, J, Stahl, M, Fritz, C.C, Seehra, J, Somers, W.S. | | Deposit date: | 2000-06-27 | | Release date: | 2001-06-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of substrate binding to Bacillus subtilis holo-(acyl carrier protein) synthase reveal a novel trimeric arrangement of molecules resulting in three active sites.
Structure Fold.Des., 8, 2000
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7SPH
 | | Crystal structure of sperm whale myoglobin variant sMb13(pCaaF) in space group P21 | | Descriptor: | Myoglobin, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bacik, J.P, Fasan, R, Ando, N. | | Deposit date: | 2021-11-02 | | Release date: | 2022-06-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Tuning Enzyme Thermostability via Computationally Guided Covalent Stapling and Structural Basis of Enhanced Stabilization.
Biochemistry, 61, 2022
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8R19
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8R0V
 | | SARS-CoV-2 Mpro (Omicron, P132H) in complex with alpha-ketoamide 13b-K at pH 6.5 | | Descriptor: | 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | Ibrahim, M, Sun, X, Hilgenfeld, R. | | Deposit date: | 2023-11-01 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | SARS-CoV-2 Omicron (P132H) complex with alpha-ketoamide 13b-K at pH 6.5
To Be Published
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8R61
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1FAT
 | | PHYTOHEMAGGLUTININ-L | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Hamelryck, T, Loris, R. | | Deposit date: | 1996-06-12 | | Release date: | 1996-12-23 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystallographic structure of phytohemagglutinin-L.
J.Biol.Chem., 271, 1996
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7PJN
 | | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | | Descriptor: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | | Deposit date: | 2021-08-24 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Nat Commun, 13, 2022
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4XDW
 | | Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH | | Descriptor: | Limonene-1,2-epoxide hydrolase | | Authors: | Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J. | | Deposit date: | 2014-12-20 | | Release date: | 2015-07-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
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4XEW
 | | Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound | | Descriptor: | 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2014-12-25 | | Release date: | 2015-07-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
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3WNM
 | | D308A mutant of Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase complexed with isomaltoheptaose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, ... | | Authors: | Suzuki, N, Fujimoto, Z, Kim, Y.M, Momma, M, Kishine, N, Suzuki, R, Suzuki, S, Kitamura, S, Kobayashi, M, Kimura, A, Funane, K. | | Deposit date: | 2013-12-10 | | Release date: | 2014-02-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural elucidation of the cyclization mechanism of alpha-1,6-glucan by Bacillus circulans T-3040 cycloisomaltooligosaccharide glucanotransferase.
J.Biol.Chem., 289, 2014
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4XZQ
 | | Nucleosome disassembly by RSC and SWI/SNF is enhanced by H3 acetylation near the nucleosome dyad axis | | Descriptor: | DNA (147-MER), Histone H2A, Histone H2B 1.1, ... | | Authors: | Dechassa, M.L, Luger, K, Chatterjee, N, North, J.A, Manohar, M, Prasad, R, Ottessen, J.J, Poirier, M.G, Bartholomew, B. | | Deposit date: | 2015-02-04 | | Release date: | 2015-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Histone Acetylation near the Nucleosome Dyad Axis Enhances Nucleosome Disassembly by RSC and SWI/SNF.
Mol.Cell.Biol., 35, 2015
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1F7T
 | | HOLO-(ACYL CARRIER PROTEIN) SYNTHASE AT 1.8A | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Parris, K.D, Lin, L, Tam, A, Mathew, R, Hixon, J, Stahl, M, Fritz, C.C, Seehra, J, Somers, W.S. | | Deposit date: | 2000-06-27 | | Release date: | 2001-06-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of substrate binding to Bacillus subtilis holo-(acyl carrier protein) synthase reveal a novel trimeric arrangement of molecules resulting in three active sites.
Structure Fold.Des., 8, 2000
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