6Q7C
 
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative ATDL11 | | 分子名称: | 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2 | | 著者 | Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H. | | 登録日 | 2018-12-13 | | 公開日 | 2020-01-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.049 Å) | | 主引用文献 | Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
|
|
6CT2
 | | MYST histone acetyltransferase KAT6A/B in complex with WM-1119 | | 分子名称: | 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide, Histone acetyltransferase KAT8, MAGNESIUM ION, ... | | 著者 | Ren, B, Peat, T.S. | | 登録日 | 2018-03-22 | | 公開日 | 2018-08-01 | | 最終更新日 | 2018-08-22 | | 実験手法 | X-RAY DIFFRACTION (2.128 Å) | | 主引用文献 | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth.
Nature, 560, 2018
|
|
7QT5
 | | Room temperature In-situ SARS-CoV-2 MPRO with bound Z31792168 | | 分子名称: | 2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
5VM5
 | | Engineered tryptophan synthase b-subunit from Pyrococcus furiosus, PfTrpB2B9, with Ser bound | | 分子名称: | 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, SODIUM ION, Tryptophan synthase beta chain 1, ... | | 著者 | Buller, A.R, van Roye, P. | | 登録日 | 2017-04-26 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble.
J. Am. Chem. Soc., 140, 2018
|
|
5VN5
 | | Crystal structure of LigY from Sphingobium sp. strain SYK-6 | | 分子名称: | 2,2',3-trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl meta-cleavage compound hydrolase, CHLORIDE ION, ZINC ION | | 著者 | Kuatsjah, E, Chan, A.C.K, Kobylarz, M.J, Murphy, M.E.P, Eltis, L.D. | | 登録日 | 2017-04-28 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The bacterialmeta-cleavage hydrolase LigY belongs to the amidohydrolase superfamily, not to the alpha / beta-hydrolase superfamily.
J. Biol. Chem., 292, 2017
|
|
8SMD
 | | Structure of Clostridium botulinum prophage Tad1 in complex with 1''-3' gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, ABC transporter ATPase | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
|
|
6Q9R
 | | Crystal structure of the pathological N184K variant of calcium-free human gelsolin | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Scalone, E, Boni, F, Milani, M, Eloise, M, de Rosa, M. | | 登録日 | 2018-12-18 | | 公開日 | 2019-11-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | The structure of N184K amyloidogenic variant of gelsolin highlights the role of the H-bond network for protein stability and aggregation properties.
Eur.Biophys.J., 49, 2020
|
|
6HSD
 | | Crystal structure of the oxidized form of the transcription regulator RsrR | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Volbeda, A, Fontecilla-Camps, J.C. | | 登録日 | 2018-09-30 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of the Transcription Regulator RsrR Reveals a [2Fe-2S] Cluster Coordinated by Cys, Glu, and His Residues.
J. Am. Chem. Soc., 141, 2019
|
|
7QS0
 | |
6YQA
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol aziridine inhibitor | | 分子名称: | (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | 登録日 | 2020-04-16 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
|
|
7KEY
 | | Protein Tyrosine Phosphatase 1B, Apo | | 分子名称: | ACETATE ION, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | | 著者 | Battaile, K.P, Chirgadze, Y, Ruzanov, M, Romanov, V, Lam, K, Gordon, R, Lin, A, Lam, R, Pai, E, Chirgadze, N. | | 登録日 | 2020-10-13 | | 公開日 | 2022-01-19 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.771 Å) | | 主引用文献 | Signal transfer in human protein tyrosine phosphatase PTP1B from allosteric inhibitor P00058.
J.Biomol.Struct.Dyn., 2021
|
|
6Q2E
 | | Crystal structure of Methanobrevibacter smithii Dph2 bound to 5'-methylthioadenosine | | 分子名称: | 2-(3-amino-3-carboxypropyl)histidine synthase, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | 著者 | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | 登録日 | 2019-08-07 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.768 Å) | | 主引用文献 | The Crystal Structure of Dph2 in Complex with Elongation Factor 2 Reveals the Structural Basis for the First Step of Diphthamide Biosynthesis.
Biochemistry, 58, 2019
|
|
8STW
 | | K384N HUMAN CYSTATHIONINE BETA-SYNTHASE (delta 411-551) | | 分子名称: | Cystathionine beta-synthase, K384N variant, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Mascarenhas, R, Roman, J, Banerjee, R. | | 登録日 | 2023-05-11 | | 公開日 | 2023-11-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Disease-causing cystathionine beta-synthase linker mutations impair allosteric regulation.
J.Biol.Chem., 299, 2023
|
|
6CNL
 | | Crystal Structure of H105A PGAM5 Dodecamer | | 分子名称: | MAGNESIUM ION, PGAM5 Multimerization Motif Peptide, Serine/threonine-protein phosphatase PGAM5, ... | | 著者 | Ruiz, K, Agnew, C, Jura, N. | | 登録日 | 2018-03-08 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Functional role of PGAM5 multimeric assemblies and their polymerization into filaments.
Nat Commun, 10, 2019
|
|
8A9X
 | | Crystal structure of PulM C-ter domain | | 分子名称: | Type II secretion system protein M | | 著者 | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | | 登録日 | 2022-06-29 | | 公開日 | 2023-01-25 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.523 Å) | | 主引用文献 | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
|
|
7QT7
 | | Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011520 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | | 著者 | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | | 登録日 | 2022-01-14 | | 公開日 | 2022-05-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | xia2.multiplex: a multi-crystal data-analysis pipeline.
Acta Crystallogr D Struct Biol, 78, 2022
|
|
5FLR
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 1.7.6 4-methylpyrimidine-2-sulfonamide, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. | | 登録日 | 2015-10-28 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination.
J.Med.Chem., 59, 2016
|
|
7QGS
 | | Crystal structure of p300 CH1 domain in complex with CITIF (a CITED2-HIF-1alpha hybrid) | | 分子名称: | Cbp/p300-interacting transactivator 2,Hypoxia-inducible factor 1-alpha, Histone acetyltransferase, ZINC ION | | 著者 | Hegedus, Z, Wilson, A.J, Edwards, T.A. | | 登録日 | 2021-12-10 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Understanding p300-transcription factor interactions using sequence variation and hybridization.
Rsc Chem Biol, 3, 2022
|
|
8SMG
 | | Structure of SPO1 phage Tad2 in complex with 1''-2' gcADPR | | 分子名称: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, Gp34.65 | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
|
|
5FK2
 | |
6Q2P
 | | Crystal structure of mouse viperin bound to cytidine triphosphate and S-adenosylhomocysteine | | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | | 著者 | Fenwick, M.K, Dong, M, Lin, H, Ealick, S.E. | | 登録日 | 2019-08-08 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.452 Å) | | 主引用文献 | Structural Basis of the Substrate Selectivity of Viperin.
Biochemistry, 59, 2020
|
|
6HSR
 | |
7KPJ
 | |
8SMF
 | | Structure of SPO1 phage Tad2 in complex with 1''-3' gcADPR | | 分子名称: | (2R,3R,3aS,5S,6R,7S,8R,11R,13S,15aR)-2-(6-amino-9H-purin-9-yl)-3,6,7,11,13-pentahydroxyoctahydro-2H,5H,11H,13H-5,8-epoxy-11lambda~5~,13lambda~5~-furo[2,3-g][1,3,5,9,2,4]tetraoxadiphosphacyclotetradecine-11,13-dione, Gp34.65, MAGNESIUM ION | | 著者 | Lu, A, Yirmiya, E, Leavitt, A, Avraham, C, Osterman, I, Garb, J, Antine, S.P, Mooney, S.E, Hobbs, S.J, Amitai, G, Sorek, R, Kranzusch, P.J. | | 登録日 | 2023-04-26 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Phages overcome bacterial immunity via diverse anti-defence proteins.
Nature, 625, 2024
|
|
5FAQ
 | | OXA-48 in complex with FPI-1465 | | 分子名称: | Beta-lactamase, CADMIUM ION, CHLORIDE ION, ... | | 著者 | King, A.M, King, D.T, French, S, Brouillette, E, Asli, A, Alexander, A.N, Vuckovic, M, Maiti, S.N, Parr, T.R, Brown, E.D, Malouin, F, Strynadka, N.C.J, Wright, G.D. | | 登録日 | 2015-12-11 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
|
|
