8A3N
| Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+ | Descriptor: | Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | Authors: | Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl., 61, 2022
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6N57
| Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation I | Descriptor: | CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-21 | Release date: | 2020-02-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation. Elife, 8, 2019
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6PJF
| HIV-1 Protease NL4-3 WT in Complex with LR2-44 | Descriptor: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,3S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PPV
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7ZUI
| PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 5Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7UFX
| Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and scaffold-insert duplexes (21mer and 10mer) containing the cognate REPE54 sequence and an additional G-C rich sequence, respectively. | Descriptor: | DNA (5'-D(A*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*A)-3'), DNA (5'-D(A*GP*AP*CP*GP*GP*CP*CP*CP*GP*G)-3'), DNA (5'-D(A*GP*TP*CP*CP*GP*GP*GP*CP*CP*G)-3'), ... | Authors: | Ward, A.R, Shields, E.T, Snow, C.D. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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4YJ2
| Crystal structure of tubulin bound to MI-181 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5,6-dimethyl-2-[(E)-2-(pyridin-3-yl)ethenyl]-1,3-benzothiazole, CALCIUM ION, ... | Authors: | McNamara, D.E, Torres, J.Z, Yeates, T.O. | Deposit date: | 2015-03-03 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of potent anticancer compounds bound to tubulin. Protein Sci., 24, 2015
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7ZUH
| PENICILLIN-BINDING PROTEIN 1B (PBP-1B) Streptococcus pneumoniae R6 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Penicillin-binding protein 1b | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7SNV
| H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex | Descriptor: | Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | Authors: | Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F. | Deposit date: | 2021-10-28 | Release date: | 2023-05-03 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (2.07 Å) | Cite: | Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome. Proc.Natl.Acad.Sci.USA, 120, 2023
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7SMK
| H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex | Descriptor: | Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain | Authors: | Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F. | Deposit date: | 2021-10-26 | Release date: | 2023-05-24 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (1.98 Å) | Cite: | Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome. Proc.Natl.Acad.Sci.USA, 120, 2023
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8POB
| Crystal structure of Hen Egg White Lysozyme co-crystallized with 10 mM TbXo4-SO3 | Descriptor: | 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid, CHLORIDE ION, Lysozyme C, ... | Authors: | Alsalman, Z, Girard, E. | Deposit date: | 2023-07-04 | Release date: | 2024-07-10 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network. Chemistry, 30, 2024
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7ZUJ
| PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 6Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUL
| PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, Penicillin-binding protein 1b | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7ZUK
| PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6 | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | Deposit date: | 2022-05-12 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones. Acs Chem.Biol., 17, 2022
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7UVW
| A. baumannii ribosome: 70S with E-site tRNA | Descriptor: | 16s Ribosomal RNA, 23s ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Morgan, C.E, Yu, E.W. | Deposit date: | 2022-05-02 | Release date: | 2023-04-19 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | Streptothricin F is a bactericidal antibiotic effective against highly drug-resistant gram-negative bacteria that interacts with the 30S subunit of the 70S ribosome. Plos Biol., 21, 2023
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5MYG
| Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe | Descriptor: | 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin | Authors: | Tallant, C, Igoe, N, Bayle, E.D, Krojer, T, Nunez-Alonso, G, Kopec, J, Fitzpatrick, F, Savitsky, P, Fedorov, O, Brennan, P.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-26 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. J. Med. Chem., 60, 2017
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8CXM
| Cryo-EM structure of the supercoiled E. coli K12 flagellar filament core, Normal waveform | Descriptor: | Flagellin | Authors: | Sonani, R.R, Kreutzberger, M.A.B, Sebastian, A.L, Scharf, B, Egelman, E.H. | Deposit date: | 2022-05-21 | Release date: | 2022-09-07 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Convergent evolution in the supercoiling of prokaryotic flagellar filaments. Cell, 185, 2022
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6PJD
| HIV-1 Protease NL4-3 WT in Complex with LR2-32 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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6PJM
| HIV-1 Protease NL4-3 WT in Complex with LR2-35 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | Deposit date: | 2019-06-28 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere. J.Med.Chem., 63, 2020
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8UAO
| DpHF18 filament | Descriptor: | DpHF18 | Authors: | Lynch, E.M, Shen, H, Kollman, J.M, Baker, D. | Deposit date: | 2023-09-21 | Release date: | 2024-04-10 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 19, 2024
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5MYJ
| Structure of 70S ribosome from Lactococcus lactis | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Franken, L.E, Oostergetel, G.T, Pijning, T, Puri, P, Boekema, E.J, Poolman, B, Guskov, A. | Deposit date: | 2017-01-26 | Release date: | 2017-10-11 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | A general mechanism of ribosome dimerization revealed by single-particle cryo-electron microscopy. Nat Commun, 8, 2017
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8UB3
| DpHF7 filament | Descriptor: | DpHF7 filament | Authors: | Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D. | Deposit date: | 2023-09-22 | Release date: | 2024-04-10 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | De novo design of pH-responsive self-assembling helical protein filaments. Nat Nanotechnol, 19, 2024
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5N16
| First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 1) | Descriptor: | 5-cyclopropyl-2-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)benzo[b][1,4]benzothiazepin-6-one, Bromodomain-containing factor 1, GLYCEROL, ... | Authors: | Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C. | Deposit date: | 2017-02-05 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Selective BET bromodomain inhibition as an antifungal therapeutic strategy. Nat Commun, 8, 2017
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7QDU
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6P9H
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