7QK0
 
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | 分子名称: | (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one, 1,2-ETHANEDIOL, B-cell lymphoma 6 protein, ... | | 著者 | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo .
J.Med.Chem., 65, 2022
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7QG4
 | | Apo crystal structure of a mutant of SN243 (D415N) | | 分子名称: | SN243, SULFATE ION, ZINC ION | | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | 登録日 | 2021-12-07 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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6ZL7
 | | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, MAGNESIUM ION, PMGL2 | | 著者 | Goryaynova, D.A, Boyko, K.M, 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. | | 登録日 | 2020-06-30 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | CRYSTAL STRUCTURE OF C173S MUTATION IN THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
To Be Published
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7Q9N
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-2-yl)vinyl)benzene-1,2-diol | | 分子名称: | 4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol, Transthyretin | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7QRC
 | | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | | 分子名称: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | | 著者 | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | | 登録日 | 2022-01-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
Eur.J.Med.Chem., 243, 2022
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7Q9L
 | | Transthyretin complexed with (E)-4-(2-(naphthalen-1-yl)vinyl)benzene-1,2-diol | | 分子名称: | 4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol, GLYCEROL, SODIUM ION, ... | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7Q9O
 | | Complex of Transthyretin with resveratrol exhibits multiple binding modes | | 分子名称: | GLYCEROL, RESVERATROL, SODIUM ION, ... | | 著者 | Derbyshire, D.J, Hammarstrom, P, von Castelmur, E, Begum, A. | | 登録日 | 2021-11-12 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Transthyretin Binding Mode Dichotomy of Fluorescent trans -Stilbene Ligands.
Acs Chem Neurosci, 14, 2023
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7QXR
 | | Azacoelenterazine-bound Renilla-type luciferase (AncFT) | | 分子名称: | 3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one, Fragment transplantation onto a hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT) | | 著者 | Marek, M, Schenkmayerova, A, Janin, Y.L. | | 登録日 | 2022-01-27 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
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7QXQ
 | | Coelenteramide-bound Renilla-type luciferase (AncFT) | | 分子名称: | Fragment transplantation onto hyperstable ancestor of haloalkane dehalogenases and Renilla luciferase (Anc-FT), N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | | 著者 | Marek, M, Schenkmayerova, A. | | 登録日 | 2022-01-27 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.251 Å) | | 主引用文献 | Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
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6Z1X
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6Z0J
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6Z0K
 | | Crystal structure of laccase from Pediococcus acidilactici Pp5930 (Hepes pH 7.5) | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, Putative multicopper oxidase mco | | 著者 | Casino, P, Huesa, J, Pardo, I. | | 登録日 | 2020-05-09 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species.
Microb Biotechnol, 14, 2021
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7QUX
 | | Crystal structure of P7C8 bound to CK2alpha | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2022-01-19 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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7QOX
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | 分子名称: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | 著者 | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | 登録日 | 2021-12-29 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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6Z15
 | | Human wtSTING in complex with 3',3'-c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon protein | | 著者 | Boura, E, Smola, M. | | 登録日 | 2020-05-12 | | 公開日 | 2021-04-21 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ligand Strain and Its Conformational Complexity Is a Major Factor in the Binding of Cyclic Dinucleotides to STING Protein.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7QOT
 | | Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ... | | 著者 | Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J. | | 登録日 | 2021-12-28 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.24 Å) | | 主引用文献 | Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
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6ZHV
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6YYK
 | | Crystal Structure of 1,5-dimethylindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | 分子名称: | 1,5-dimethyl-3~{H}-indol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | 著者 | Brear, P, Wagstaff, J, Hyvonen, M. | | 登録日 | 2020-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
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6YWB
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6YYF
 | | Crystal Structure of 5-chloroindoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | 分子名称: | 5-chloranyl-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | 著者 | Brear, P, Wagstaff, J, Hyvonen, M. | | 登録日 | 2020-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
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6YV5
 | | Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus | | 分子名称: | SODIUM ION, Serine protease | | 著者 | Rangel Pereira, M.R, Brear, P, Knyphausen, P, Jermutus, L, Hollfelder, F. | | 登録日 | 2020-04-27 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal Structure of Serine protease SplB N3Q/S154R from Staphylococcus aureus
To Be Published
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7QVL
 | | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | | 分子名称: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | | 著者 | Breed, J. | | 登録日 | 2022-01-21 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
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7QXV
 | | Crystal Structure of Haem-Binding Protein HemS Mutant F104A F199A, from Yersinia enterocolitica | | 分子名称: | DI(HYDROXYETHYL)ETHER, Hemin transport protein | | 著者 | Barker, P.D, Keith, A, Brear, P, Wales, D. | | 登録日 | 2022-01-27 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Crystal Structure of Haem-Binding Protein HemS Mutant F104A F199A, from Yersinia enterocolitica
To Be Published
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6YWA
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6YYG
 | | Crystal Structure of 5-(trifluoromethoxy)indoline-2,3-dione covalently bound to the PH domain of Bruton's tyrosine kinase mutant R28C | | 分子名称: | 5-(trifluoromethyloxy)-1,3-dihydroindol-2-one, MAGNESIUM ION, Tyrosine-protein kinase BTK, ... | | 著者 | Brear, P, Wagstaff, J, Hyvonen, M. | | 登録日 | 2020-05-05 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Optimising crystallographic systems for structure-guided drug discovery
To Be Published
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