2ILV
 
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2IHZ
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2II6
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2IIB
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4R82
 | | Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2014-08-29 | | Release date: | 2014-10-01 | | Last modified: | 2016-11-02 | | Method: | X-RAY DIFFRACTION (1.659 Å) | | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus.
Biochemistry, 55, 2016
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4LIY
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3GI6
 | | Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease | | Descriptor: | (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2009-03-05 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
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3GI5
 | | Crystal structure of protease inhibitor, KB62 in complex with wild type HIV-1 protease | | Descriptor: | (5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)pr opyl]-2-oxo-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2009-03-05 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
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3GI4
 | | Crystal structure of protease inhibitor, KB60 in complex with wild type HIV-1 protease | | Descriptor: | 5S)-N-[(1S,2R)-3-[(1,3-Benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-3-[3-(tr ifluoromethyl)phenyl]-5-oxazolidinecarboxamide, ACETATE ION, PHOSPHATE ION, ... | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2009-03-05 | | Release date: | 2010-03-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance.
J.Virol., 84, 2010
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7V6F
 | | Structure of Candida albicans Fructose-1,6-bisphosphate aldolase complexed with G3P | | Descriptor: | Fructose-bisphosphate aldolase, GLYCERALDEHYDE-3-PHOSPHATE, ZINC ION | | Authors: | Hongxuan, C, Huang, Y, Han, C, Chen, W, Ren, Y, Wan, J. | | Deposit date: | 2021-08-20 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structure-Guided Discovery of the Novel Covalent Allosteric Site and Covalent Inhibitors of Fructose-1,6-Bisphosphate Aldolase to Overcome the Azole Resistance of Candidiasis.
J.Med.Chem., 65, 2022
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4IME
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4IMG
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4IMC
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4IMF
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4IMD
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6CVZ
 | | Crystal structure of the WD40-repeat of RFWD3 | | Descriptor: | E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION | | Authors: | DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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6SD8
 | | Bd2924 apo-form | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2019-07-26 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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6SDA
 | | Bd2924 C10 acyl-coenzymeA bound form | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Probable acyl-CoA dehydrogenase, decanoyl-CoA | | Authors: | Lovering, A.L, Harding, C.J. | | Deposit date: | 2019-07-26 | | Release date: | 2019-09-11 | | Last modified: | 2020-03-25 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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5BP8
 | | ent-Copalyl diphosphate synthase from Streptomyces platensis | | Descriptor: | 1,2-ETHANEDIOL, Ent-copalyl diphosphate synthase, SULFATE ION | | Authors: | Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Ma, M, Chang, C.-Y, Shen, B, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-05-27 | | Release date: | 2015-06-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the ent-Copalyl Diphosphate Synthase PtmT2 from Streptomyces platensis CB00739, a Bacterial Type II Diterpene Synthase.
J.Am.Chem.Soc., 138, 2016
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4NQC
 | | Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2013-11-25 | | Release date: | 2014-04-16 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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4NQE
 | | Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2013-11-25 | | Release date: | 2014-04-16 | | Last modified: | 2020-02-19 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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4NQD
 | | Crystal structure of TCR-MR1 ternary complex and non-covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil | | Descriptor: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Birkinshaw, R.W, Rossjohn, J. | | Deposit date: | 2013-11-25 | | Release date: | 2014-04-16 | | Last modified: | 2014-11-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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5ETX
 | | Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue) | | Descriptor: | CHLORIDE ION, NS3 protease, ZINC ION, ... | | Authors: | Soumana, D, Yilmaz, N.K, Ali, A, Prachanronarong, K.L, Aydin, C, Schiffer, C.A. | | Deposit date: | 2015-11-18 | | Release date: | 2016-01-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172.
Acs Chem.Biol., 11, 2016
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3MXD
 | | Crystal structure of HIV-1 protease inhibitor KC53 in complex with wild-type protease | | Descriptor: | (5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-5-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-3-(2-hydroxyphenyl)-2 -oxo-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2010-05-07 | | Release date: | 2010-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
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3MXE
 | | Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease | | Descriptor: | (5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide, ACETATE ION, HIV-1 protease, ... | | Authors: | Nalam, M.N.L, Schiffer, C.A. | | Deposit date: | 2010-05-07 | | Release date: | 2010-11-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of HIV-1 Protease Inhibitors Incorporating Phenyloxazolidinones.
J.Med.Chem., 53, 2010
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