5YRS
| X-ray Snapshot of HIV-1 Protease in Action: Observation of Tetrahedral Intermediate and Its SIHB with Catalytic Aspartate | Descriptor: | PROTEASE, RT-RH oligopeprtide | Authors: | Das, A, Mahale, S, Prashar, V, Bihani, S, Ferrer, J.-L, Hosur, M.V. | Deposit date: | 2017-11-10 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray snapshot of HIV-1 protease in action: observation of tetrahedral intermediate and short ionic hydrogen bond SIHB with catalytic aspartate. J. Am. Chem. Soc., 132, 2010
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4OVF
| E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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5YRR
| The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution | Descriptor: | COENZYME A, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Bairagya, H.R, Gupta, A, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-11-09 | Release date: | 2017-11-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | The crystal structure of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Coenzyme A at 2.88 A resolution To Be Published
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6WLS
| Tetrahymena ribozyme models, 6.8 Angstrom resolution | Descriptor: | RNA (388-MER) | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | Deposit date: | 2020-04-20 | Release date: | 2020-07-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (6.8 Å) | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures. Nat.Methods, 17, 2020
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4YT5
| HmdII from Methanocaldococcus jannaschii with bound methylene-tetrahydromethanopterin | Descriptor: | 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN, H(2)-forming methylenetetrahydromethanopterin dehydrogenase-related protein MJ1338, TRIETHYLENE GLYCOL | Authors: | Fujishiro, T, Ermler, U, Shima, S. | Deposit date: | 2015-03-17 | Release date: | 2015-07-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Towards a functional identification of catalytically inactive [Fe]-hydrogenase paralogs. Febs J., 282, 2015
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4RWA
| Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-01 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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7QYD
| mosquitocidal Cry11Ba determined at pH 6.5 from naturally-occurring nanocrystals by Serial femtosecond crystallography | Descriptor: | Pesticidal crystal protein Cry11Ba | Authors: | De Zitter, E, Tetreau, G, Andreeva, E.A, Coquelle, N, Colletier, J.-P, Sawaya, M.R, Schibrowsky, N.A, Cascio, D, Rodriguez, J.A. | Deposit date: | 2022-01-28 | Release date: | 2022-07-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | De novo determination of mosquitocidal Cry11Aa and Cry11Ba structures from naturally-occurring nanocrystals. Nat Commun, 13, 2022
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3CJD
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4RWD
| XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-02 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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5TZ1
| Crystal structure of sterol 14-alpha demethylase (CYP51) from Candida albicans in complex with the tetrazole-based antifungal drug candidate VT1161 (VT1) | Descriptor: | (R)-2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(4-(2,2,2-trifluoroethoxy)phenyl)pyridin-2-yl)propan-2-ol, PROTOPORPHYRIN IX CONTAINING FE, Sterol 14-alpha demethylase | Authors: | Hargrove, T, Wawrzak, Z, Lepesheva, G. | Deposit date: | 2016-11-21 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural analyses of Candida albicans sterol 14 alpha-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis. J. Biol. Chem., 292, 2017
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6UNC
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4Y8X
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8JYG
| Crystal structure of Human HPSE1 in complex with inhibitor | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mima, M, Fujimoto, N, Imai, Y. | Deposit date: | 2023-07-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor. Bioorg.Med.Chem., 93, 2023
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4NAU
| S. aureus CoaD with Inhibitor | Descriptor: | 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase | Authors: | Lahiri, S.D. | Deposit date: | 2013-10-22 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy. Antimicrob.Agents Chemother., 57, 2013
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4NAT
| Inhibitors of 4-Phosphopanthetheine Adenylyltransferase | Descriptor: | (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lahiri, S.D. | Deposit date: | 2013-10-22 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy. Antimicrob.Agents Chemother., 57, 2013
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6A7D
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution | Descriptor: | CHLORIDE ION, DEPHOSPHO COENZYME A, MAGNESIUM ION, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-07-02 | Release date: | 2018-07-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.74 A resolution To Be Published
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6A6D
| Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution | Descriptor: | DEPHOSPHO COENZYME A, MAGNESIUM ION, Phosphopantetheine adenylyltransferase, ... | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2018-06-27 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Dephospho Coenzyme A at 2.90A resolution To Be Published
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3DEW
| The structure of a putative TetR family transcriptional regulator from Geobacter sulfurreducens PCA. | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, BETA-MERCAPTOETHANOL, ... | Authors: | Cuff, M.E, Bigelow, L, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-06-10 | Release date: | 2008-09-30 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The structure of a putative TetR family transcriptional regulator from Geobacter sulfurreducens PCA. TO BE PUBLISHED
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3G5R
| Crystal structure of Thermus thermophilus TrmFO in complex with tetrahydrofolate | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Nishimasu, H, Ishitani, R, Hori, H, Nureki, O. | Deposit date: | 2009-02-05 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase Proc.Natl.Acad.Sci.USA, 106, 2009
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5Z1M
| Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution | Descriptor: | CITRIC ACID, Phosphopantetheine adenylyltransferase | Authors: | Singh, P.K, Gupta, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2017-12-26 | Release date: | 2018-02-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure of the complex of trimeric Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with citrate ion at 1.87 A resolution To Be Published
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3DPJ
| The crystal structure of a TetR transcription regulator from Silicibacter pomeroyi DSS | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Transcription regulator, ... | Authors: | Tan, K, Li, H, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-08 | Release date: | 2008-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of a TetR transcription regulator from Silicibacter pomeroyi DSS To be Published
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4OVG
| E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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5OLE
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4H6Q
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5OLD
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