6CVV
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine triphosphate (ATP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-03-29 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6O9W
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6D3L
| Crystal structure of unphosphorylated human PKR | Descriptor: | Interferon-induced, double-stranded RNA-activated protein kinase | Authors: | Erlandsen, H, Mayo, C, Robinson, V.L, Cole, J.L. | Deposit date: | 2018-04-16 | Release date: | 2019-07-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of Protein Kinase R Autophosphorylation. Biochemistry, 58, 2019
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6CZC
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with thymidine triphosphate (TTP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION, THYMIDINE-5'-TRIPHOSPHATE | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6CSR
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6OH7
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6CZE
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with inosine triphosphate (ITP) - promiscuous binding mode with disordered nucleoside | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, INOSINE 5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-04-09 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6CVU
| Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with cytidine | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | Deposit date: | 2018-03-28 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.426 Å) | Cite: | Mycobacterium tuberculosis Dethiobiotin Synthetase Facilitates Nucleoside Triphosphate Promiscuity through Alternate Binding Modes Acs Catalysis, 8(11), 2018
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6QFE
| Crystal Structure of Human Kallikrein 5 in complex with GSK144 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6QFH
| Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144. | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6NFA
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6QFF
| Crystal Structure of Human Kallikrein 6 in complex with GSK144 | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6BXP
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6NRI
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | Descriptor: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
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6QJK
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6BX5
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7Q2J
| Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer | Descriptor: | Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ... | Authors: | Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-10-25 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization. Cell Chem Biol, 30, 2023
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6C3K
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6QLA
| CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2019-01-31 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine. Plos One, 15, 2020
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7POH
| Crystal structure of ZAD-domain of Serendipity-d protein from D.melanogaster | Descriptor: | Serendipity locus protein delta, ZINC ION | Authors: | Boyko, K.M, Kachalova, G.S, Bonchuk, A.N, Nikolaeva, A.Y, Georgiev, P.G, Popov, V.O. | Deposit date: | 2021-09-09 | Release date: | 2021-12-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structural insights into highly similar spatial organization of zinc-finger associated domains with a very low sequence similarity. Structure, 30, 2022
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4MTL
| Human Methyltransferase-Like Protein 21C | Descriptor: | Protein-lysine methyltransferase METTL21C, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN ATOM OR ION | Authors: | Hong, B.S, Tempel, W, Dong, A, Li, Y, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2013-09-19 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Human Methyltransferase-Like Protein 21C To be Published
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7PO9
| Crystal structure of ZAD-domain of M1BP protein from D.melanogaster | Descriptor: | LD30467p, ZINC ION | Authors: | Boyko, K.M, Bonchuk, A.N, Nikolaeva, A.Y, Georgiev, P.G, Popov, V.O. | Deposit date: | 2021-09-08 | Release date: | 2021-12-08 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into highly similar spatial organization of zinc-finger associated domains with a very low sequence similarity. Structure, 30, 2022
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6QLM
| Cathepsin-K in complex with MIV-701 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, GLYCEROL, ... | Authors: | Derbyshire, D.J. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6QM0
| Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Cathepsin K, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Authors: | Derbyshire, D.J. | Deposit date: | 2019-02-01 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6CUV
| Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 | Descriptor: | PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1 | Authors: | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | Deposit date: | 2018-03-26 | Release date: | 2018-09-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues. Angew. Chem. Int. Ed. Engl., 57, 2018
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