8SD2
 
 | | Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 4 | | Descriptor: | (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kadam, R.U, Zhu, X.Y, Wilson, I.A. | | Deposit date: | 2023-04-06 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7T61
 | | P. aeruginosa LpxA in complex with ligand L15 | | Descriptor: | (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide, ACETATE ION, Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase, ... | | Authors: | Sacco, M, Chen, Y. | | Deposit date: | 2021-12-13 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Ligand Design Targeting Pseudomonas aeruginosa LpxA in Lipid A Biosynthesis.
Acs Infect Dis., 8, 2022
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6JCM
 | | Crystal structure of ligand-free Rv0187. | | Descriptor: | ACETATE ION, Probable O-methyltransferase | | Authors: | Kim, J, Lee, S. | | Deposit date: | 2019-01-29 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural and biochemical characterization of Rv0187, an O-methyltransferase from Mycobacterium tuberculosis.
Sci Rep, 9, 2019
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8RUH
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8RUI
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and intronistat B after 1h soaking | | Descriptor: | Domains 1-5, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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6J0J
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7SVN
 | | DPP9 IN COMPLEX WITH LIGAND ICeD-1 | | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9 | | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | | Deposit date: | 2021-11-19 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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6J1B
 | | Photoswitchable fluorescent protein Gamillus, N150C/T204V double mutant, on-state | | Descriptor: | CHLORIDE ION, GLYCEROL, Green fluorescent protein, ... | | Authors: | Nakashima, R, Shinoda, H, Matsuda, T, Nagai, T. | | Deposit date: | 2018-12-28 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Acid-Tolerant Reversibly Switchable Green Fluorescent Protein for Super-resolution Imaging under Acidic Conditions.
Cell Chem Biol, 26, 2019
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7SZ2
 | | Mouse PARP13/ZAP ZnF5-WWE1-WWE2 bound to ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Ayanath Kuttiyatveetil, J.R, Pascal, J.M. | | Deposit date: | 2021-11-25 | | Release date: | 2022-10-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures and functional analysis of the ZnF5-WWE1-WWE2 region of PARP13/ZAP define a distinctive mode of engaging poly(ADP-ribose).
Cell Rep, 41, 2022
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8RUK
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of Na+, Mg2+, and ARN25850 | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-31 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (4.81 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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7SVM
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-2 | | Descriptor: | (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide | | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | | Deposit date: | 2021-11-19 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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5L32
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7T1H
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU281445 | | Descriptor: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, GLYCEROL, Pantothenate kinase CAB1 | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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7SVO
 | | DPP8 IN COMPLEX WITH LIGAND ICeD-1 | | Descriptor: | (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide | | Authors: | Lammens, A, Hollenstein, K, Klein, D.J. | | Deposit date: | 2021-11-19 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
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7T2V
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7T1I
 | | Crystal structure of CAB1 Pantothenate Kinase from Saccharomyces cerevisiae in complex with compound YU385597 | | Descriptor: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gihaz, S, Ben Mamoun, C. | | Deposit date: | 2021-12-02 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High-resolution crystal structure and chemical screening reveal pantothenate kinase as a new target for antifungal development.
Structure, 30, 2022
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6F3B
 | | Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor | | Descriptor: | 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Ferraroni, M, Supuran, C.T, Chiapponi, D, Bozdag, M. | | Deposit date: | 2017-11-28 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
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8S6E
 | | Monoclonal antibody MenW targeting serogroup W of Neisseria meningitidis | | Descriptor: | MenW.01 Heavy chain, MenW.01 Light chain, SODIUM ION | | Authors: | Pietri, G.P, Bertuzzi, S, Karnicar, K, Unione, L, Lisnic, B, Malic, S, Miklic, K, Novak, M, Calloni, I, Santini, L, Usenik, A, Rosaria Romano, M, Adamo, R, Jonjic, S, Turk, D, Jimenez-Barbero, J, Lenac Rovis, T. | | Deposit date: | 2024-02-27 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design.
Carbohydr Polym, 341, 2024
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6JG6
 | | Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-13 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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5KU2
 | | expanded poliovirus in complex with VHH 7A | | Descriptor: | VHH 7A, VP1, VP2, ... | | Authors: | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | | Deposit date: | 2016-07-12 | | Release date: | 2016-11-02 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State.
J. Virol., 91, 2017
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8RUJ
 | | Structure of Oceanobacillus iheyensis group II intron in the presence of K+, Mg2+, 5'-exon, and ARN25850 after 1h soaking | | Descriptor: | 2-[2,6-bis(bromanyl)-3,4,5-tris(oxidanyl)phenyl]carbonyl-~{N}-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-carboxamide, Domains 1-5, MAGNESIUM ION, ... | | Authors: | Silvestri, I, Marcia, M. | | Deposit date: | 2024-01-30 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Targeting the conserved active site of splicing machines with specific and selective small molecule modulators.
Nat Commun, 15, 2024
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7T2T
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8RUL
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5KUQ
 | | Human cyclophilin A at 100K, Data set 4 | | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | | Authors: | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2016-07-13 | | Release date: | 2016-08-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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6J5B
 | | Structural basis for the target DNA recognition and binding by the MYB domain of phosphate starvation response regulator 1 | | Descriptor: | DNA (5'-D(*GP*GP*TP*AP*CP*AP*GP*TP*AP*TP*AP*TP*AP*CP*CP*AP*TP*AP*AP*A)-3'), DNA (5'-D(*TP*TP*TP*AP*TP*GP*GP*TP*AP*TP*AP*TP*AP*CP*TP*GP*TP*AP*CP*C)-3'), Protein PHOSPHATE STARVATION RESPONSE 1 | | Authors: | Jiang, M.Q, Sun, L.F, Isupov, M.N, Wu, Y.K. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the Target DNA recognition and binding by the MYB domain of phosphate starvation response 1.
Febs J., 286, 2019
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