5NFQ
| Novel epoxide hydrolases belonging to the alpha/beta hydrolases superfamily in metagenomes from hot environments | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, IMIDAZOLE, ... | Authors: | Ferrandi, E.E, De Rose, S.A, Sayer, C, Guazzelli, E, Marchesi, C, Saneei, V, Isupov, M.N, Littlechild, J.A, Monti, D. | Deposit date: | 2017-03-15 | Release date: | 2018-05-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | New Thermophilic alpha / beta Class Epoxide Hydrolases Found in Metagenomes From Hot Environments. Front Bioeng Biotechnol, 6, 2018
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5NJ8
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6P98
| OXA-48 carbapanemase, meropenem complex | Descriptor: | Beta-lactamase, CADMIUM ION, CALCIUM ION, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2019-06-10 | Release date: | 2019-08-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase. Antimicrob.Agents Chemother., 63, 2019
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6P9H
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5V5Z
| Structure of CYP51 from the pathogen Candida albicans | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2017-03-15 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery. Antimicrob.Agents Chemother., 62, 2018
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6P9A
| HIV-1 Protease multiple mutant PRS5B with Darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, HIV-1 Protease, PHOSPHATE ION | Authors: | Kneller, D.W, Agniswamy, J, Weber, I.T. | Deposit date: | 2019-06-10 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Highly drug-resistant HIV-1 protease reveals decreased intra-subunit interactions due to clusters of mutations. Febs J., 287, 2020
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5N0L
| The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile | Descriptor: | GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE | Authors: | Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L. | Deposit date: | 2017-02-03 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027. Plos One, 14, 2019
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8STT
| Crystal Structure of HIV-1 Reverse Transcriptase (Y181C, V106A) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Hollander, K, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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6P97
| OXA-48 carbapanemase, imipenem complex | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2019-06-10 | Release date: | 2019-08-07 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase. Antimicrob.Agents Chemother., 63, 2019
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6PEA
| High Resolution Apo Carbonic Anhydrase II | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2 | Authors: | Andring, J.T, McKenna, R. | Deposit date: | 2019-06-20 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase. Iucrj, 7, 2020
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5NCZ
| mPI3Kd IN COMPLEX WITH inh1 | Descriptor: | 1,2-ETHANEDIOL, 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2017-03-06 | Release date: | 2017-06-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Design and Synthesis of Soluble and Cell-Permeable PI3K delta Inhibitors for Long-Acting Inhaled Administration. J. Med. Chem., 60, 2017
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6PE8
| Crystal structure of CD40/ABBV-323 FAB complex | Descriptor: | FAB Heavy chain, FAB Light chain, SULFATE ION, ... | Authors: | Argiriadi, M.A. | Deposit date: | 2019-06-20 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches. BMC Mol Cell Biol, 20, 2019
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5TAV
| Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, class 4) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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8STP
| Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) varient in Complex with 8-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)indolizine-2-carbonitrile (JLJ555), a non-nucleoside inhibitor | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}indolizine-2-carbonitrile, Reverse transcriptase/ribonuclease H, p51 RT | Authors: | Hollander, K, Frey, K.M, Jorgensen, W.L, Anderson, K.S. | Deposit date: | 2023-05-11 | Release date: | 2023-11-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise. Protein Sci., 32, 2023
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5T9N
| Structure of rabbit RyR1 (Ca2+-only dataset, class 2) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-09 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5MYN
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK445886A at 1.56A resolution | Descriptor: | HTH-type transcriptional regulator EthR, ~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.564 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5MYT
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK921295A at 1.61A resolution | Descriptor: | 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide, HTH-type transcriptional regulator EthR | Authors: | Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L. | Deposit date: | 2017-01-27 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach. Front Pharmacol, 8, 2017
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5TAZ
| Structure of rabbit RyR1 (ryanodine dataset, class 3) | Descriptor: | CALCIUM ION, Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5MYV
| Crystal structure of SRPK2 in complex with compound 1 | Descriptor: | 5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide, DIMETHYL SULFOXIDE, SRSF protein kinase 2,SRSF protein kinase 2, ... | Authors: | Chaikuad, A, Pike, A.C.W, Savitsky, P, von Delft, F, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-29 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Development of Potent, Selective SRPK1 Inhibitors as Potential Topical Therapeutics for Neovascular Eye Disease. ACS Chem. Biol., 12, 2017
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5TEQ
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5TAL
| Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 1&2) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | Deposit date: | 2016-09-10 | Release date: | 2016-10-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structural Basis for Gating and Activation of RyR1. Cell, 167, 2016
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5TDZ
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5TES
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5NI7
| Ligand complex of RORg LBD | Descriptor: | DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, SODIUM ION, ... | Authors: | Xue, Y, Aagaard, A, Narjes, F. | Deposit date: | 2017-03-23 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Potent and Orally Bioavailable Inverse Agonists of ROR gamma t Resulting from Structure-Based Design. J. Med. Chem., 61, 2018
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8SKL
| PTP1B in complex with 182 | Descriptor: | 1,2-ETHANEDIOL, 5-[1-fluoro-3-hydroxy-7-(3-hydroxy-3-methylbutoxy)naphthalen-2-yl]-1lambda~6~,2,5-thiadiazolidine-1,1,3-trione, CHLORIDE ION, ... | Authors: | Babon, J.J, Chen, H, Tiganis, T. | Deposit date: | 2023-04-20 | Release date: | 2023-08-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A small molecule inhibitor of PTP1B and PTPN2 enhances T cell anti-tumor immunity. Nat Commun, 14, 2023
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