1RT2
 
 | | CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH TNK-651 | | Descriptor: | 6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL, HIV-1 REVERSE TRANSCRIPTASE | | Authors: | Ren, J, Esnouf, R, Hopkins, A, Willcox, B, Jones, Y, Ross, C, Stammers, D, Stuart, D. | | Deposit date: | 1996-03-16 | | Release date: | 1997-04-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Complexes of HIV-1 reverse transcriptase with inhibitors of the HEPT series reveal conformational changes relevant to the design of potent non-nucleoside inhibitors.
J.Med.Chem., 39, 1996
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5JMX
 | | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | | Descriptor: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | Authors: | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | | Deposit date: | 2016-04-29 | | Release date: | 2017-05-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
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4ZA9
 | | Structure of A. niger fdc1 in complex with a phenylpyruvate derived adduct to the prenylated flavin cofactor | | Descriptor: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1 ,8-fg]pteridin-7-yl]-D-ribitol, MANGANESE (II) ION, POTASSIUM ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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6C4P
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the PMP Complex | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, CALCIUM ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Berkowitz, D.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-12 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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1GGM
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6C2H
 | | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: the Structure of the Catalytic Core | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Kreinbring, C.A, Tu, Y, Liu, D, Petsko, G.A, Ringe, D. | | Deposit date: | 2018-01-08 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal Structures of Cystathionine beta-Synthase from Saccharomyces cerevisiae: One Enzymatic Step at a Time.
Biochemistry, 57, 2018
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4ZA0
 | | Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate | | Descriptor: | Gamma-enolase, MAGNESIUM ION, PHOSPHONOACETOHYDROXAMIC ACID | | Authors: | Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L. | | Deposit date: | 2015-04-13 | | Release date: | 2016-04-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
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4ZAD
 | | Structure of C. dubliensis Fdc1 with the prenylated-flavin cofactor in the iminium form. | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Fdc1, MANGANESE (II) ION, ... | | Authors: | Bailey, S.S, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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4ZAV
 | | UbiX in complex with a covalent adduct between dimethylallyl monophosphate and reduced FMN | | Descriptor: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono -D-ribitol, PHOSPHATE ION, SODIUM ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-14 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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7BEM
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-269 Vh domain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEH
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-316 heavy chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEN
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEK
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEO
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEP
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs | | Descriptor: | CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEI
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-150 heavy chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEL
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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7BEJ
 | | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | | Deposit date: | 2020-12-23 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
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4RUB
 | | A CRYSTAL FORM OF RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE FROM NICOTIANA TABACUM IN THE ACTIVATED STATE | | Descriptor: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, FORMIC ACID, MAGNESIUM ION, ... | | Authors: | Schreuder, H, Cascio, D, Curmi, P.M.G, Eisenberg, D. | | Deposit date: | 1990-05-25 | | Release date: | 1992-10-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A crystal form of ribulose-1,5-bisphosphate carboxylase/oxygenase from Nicotiana tabacum in the activated state.
J.Mol.Biol., 197, 1987
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2GTD
 | | Crystal Structure of a Type III Pantothenate Kinase: Insight into the Catalysis of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria | | Descriptor: | Type III Pantothenate Kinase | | Authors: | Yang, K, Eyobo, Y, Brand, A.L, Martynowski, D, Tomchick, D. | | Deposit date: | 2006-04-27 | | Release date: | 2006-08-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a Type III Pantothenate Kinase: Insight into the Mechanism of an Essential Coenzyme A Biosynthetic Enzyme Universally Distributed in Bacteria.
J.Bacteriol., 188, 2006
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1KMM
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4ZA8
 | | Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid | | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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4ZAL
 | | Structure of UbiX E49Q mutant in complex with reduced FMN and dimethylallyl monophosphate | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Dimethylallyl monophosphate, THIOCYANATE ION, ... | | Authors: | White, M.D, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
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6HUK
 | | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ... | | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | | Deposit date: | 2018-10-08 | | Release date: | 2019-01-02 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology.
Nature, 565, 2019
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4ZAB
 | | Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid | | Descriptor: | (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ... | | Authors: | Payne, K.A.P, Leys, D. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
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