7RQ5
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6F95
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5KAO
| Crystal structure of wild type HIV-1 protease in complex with GRL-10413 | Descriptor: | [(3~{a}~{S},4~{R},6~{a}~{R})-2,3,3~{a},4,5,6~{a}-hexahydrofuro[2,3-b]furan-4-yl] ~{N}-[(2~{S},3~{R})-1-(3-chloranyl-4-methoxy-phenyl)-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-butan-2-yl]carbamate, protease | Authors: | Yedidi, R.S, Delino, N.S, Das, D, Kaufman, J.D, Wingfield, P.T, Ghosh, A.K, Mitsuya, H. | Deposit date: | 2016-06-01 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Modified P1 Moiety Enhances In Vitro Antiviral Activity against Various Multidrug-Resistant HIV-1 Variants and In Vitro Central Nervous System Penetration Properties of a Novel Nonpeptidic Protease Inhibitor, GRL-10413. Antimicrob.Agents Chemother., 60, 2016
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4Z8A
| SH3-III of Drosophila Rim-binding protein bound to a Cacophony derived peptide | Descriptor: | RIM-binding protein, isoform F, Voltage-dependent calcium channel type A subunit alpha-1 | Authors: | Driller, J.H, Holton, N, Siebert, M, Boehme, A.M, Wahl, M.C, Sigrist, S.J, Loll, B. | Deposit date: | 2015-04-08 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.759 Å) | Cite: | A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones. Elife, 4, 2015
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5LGA
| Structural analysis and biological activities of BXL0124, a Gemini analog of Vitamin D | Descriptor: | (1~{R},3~{S},5~{Z})-5-[2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(6~{R})-1,1,1-tris(fluoranyl)-10-methyl-2,10-bis(oxidanyl)-2-(trifluoromethyl)undeca-3,8-diyn-6-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC-2, Vitamin D3 receptor A | Authors: | Belorusova, A.Y, Rochel, N. | Deposit date: | 2016-07-06 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis and biological activities of BXL0124, a gemini analog of vitamin D. J. Steroid Biochem. Mol. Biol., 173, 2017
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7AFQ
| Ribosome binding factor A (RbfA) | Descriptor: | Ribosome-binding factor A | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Fucini, P, Connell, S. | Deposit date: | 2020-09-19 | Release date: | 2020-12-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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8EQM
| Structure of a dimeric photosystem II complex acclimated to far-red light | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Gisriel, C.J, Shen, G, Flesher, D.A, Kurashov, V, Golbeck, J.H, Brudvig, G.W, Amin, M, Bryant, D.A. | Deposit date: | 2022-10-08 | Release date: | 2022-12-28 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure of a dimeric photosystem II complex from a cyanobacterium acclimated to far-red light. J.Biol.Chem., 299, 2022
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5NBW
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5V4S
| CryoEM Structure of a Prokaryotic Cyclic Nucleotide-Gated Ion Channel | Descriptor: | Transporter, cation channel family / cyclic nucleotide-binding domain multi-domain protein | Authors: | James, Z.M, Borst, A.J, Haitin, Y, Frenz, B, DiMaio, F, Zagotta, W.N, Veesler, D. | Deposit date: | 2017-03-10 | Release date: | 2017-04-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | CryoEM structure of a prokaryotic cyclic nucleotide-gated ion channel. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6AOQ
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6AOS
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6AOU
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4XYL
| Ca. Korarchaeum cryptofilum ACD1 in complex with coenzyme A | Descriptor: | CHLORIDE ION, COENZYME A, alpha subunit of Acyl-CoA synthetase (NDP forming), ... | Authors: | Weisse, R.H.-J, Scheidig, A.J. | Deposit date: | 2015-02-02 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of NDP-forming Acetyl-CoA synthetase ACD1 reveals a large rearrangement for phosphoryl transfer. Proc.Natl.Acad.Sci.USA, 113, 2016
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6AOV
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5J54
| The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6AOR
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5J55
| The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, Carotenoid oxygenase, FE (III) ION, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5J53
| The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | Descriptor: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | Authors: | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2016-04-01 | Release date: | 2016-11-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5EGM
| Development of a novel tricyclic class of potent and selective FIXa inhibitors | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | Deposit date: | 2015-10-27 | Release date: | 2015-11-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.841 Å) | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors. Bioorg.Med.Chem.Lett., 25, 2015
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4Z89
| SH3-II of Drosophila Rim-binding protein bound to a Cacophony derived peptide | Descriptor: | CALCIUM ION, RIM-binding protein, isoform F, ... | Authors: | Driller, J.H, Holton, N, Siebert, M, Boehme, M.A, Wahl, M.C, Sigrist, S.J, Loll, B. | Deposit date: | 2015-04-08 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | A high affinity RIM-binding protein/Aplip1 interaction prevents the formation of ectopic axonal active zones. Elife, 4, 2015
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6R2X
| NMR structure of Chromogranin A (F39-D63) | Descriptor: | Chromogranin-A | Authors: | Nardelli, F, Quilici, G, Ghitti, M, Curnis, F, Gori, A, Berardi, A, Corti, A, Musco, G. | Deposit date: | 2019-03-19 | Release date: | 2019-12-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | A stapled chromogranin A-derived peptide is a potent dual ligand for integrins alpha v beta 6 and alpha v beta 8. Chem.Commun.(Camb.), 55, 2019
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6CCE
| Crystal structure of a Mycobacterium smegmatis RNA polymerase transcription initiation complex with inhibitor Kanglemycin A | Descriptor: | 1,2-ETHANEDIOL, DNA (57-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2018-02-07 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism. Nat Commun, 9, 2018
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6FQM
| 3.06A COMPLEX OF S.AUREUS GYRASE with imidazopyrazinone T1 AND DNA | Descriptor: | 7-[(3~{S})-3-azanylpyrrolidin-1-yl]-5-cyclopropyl-8-fluoranyl-imidazo[1,2-a]quinoxalin-4-one, DNA (5'-D(*GP*AP*GP*AP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*TP*CP*T)-3'), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Germe, T, Basque, E, Maxwell, A. | Deposit date: | 2018-02-14 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | A new class of antibacterials, the imidazopyrazinones, reveal structural transitions involved in DNA gyrase poisoning and mechanisms of resistance. Nucleic Acids Res., 46, 2018
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6DCF
| Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A | Descriptor: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | Authors: | Lilic, M, Darst, S.A, Campbell, E.A. | Deposit date: | 2018-05-06 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism. Nat Commun, 9, 2018
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5A8Y
| Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | Authors: | vonNussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | Deposit date: | 2015-07-17 | Release date: | 2016-08-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: In Vivo Efficacy of the Polar Pyrimidopyridazine Bay-8040 in a Pulmonary Arterial Hypertension Rat Model. Chemmedchem, 11, 2016
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