6XI9
 
 | | X-ray crystal structure of MqnE from Pedobacter heparinus in complex with aminofutalosine and methionine | | 分子名称: | 9-[7-(3-carboxyphenyl)-5,6-dideoxy-beta-D-ribo-heptodialdo-1,4-furanosyl]-9H-purin-6-amine, Aminodeoxyfutalosine synthase, CHLORIDE ION, ... | | 著者 | Grove, T.L, Bonanno, J.B, Almo, S.C. | | 登録日 | 2020-06-19 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Narrow-Spectrum Antibiotic Targeting of the Radical SAM Enzyme MqnE in Menaquinone Biosynthesis.
Biochemistry, 59, 2020
|
|
5N58
 | | di-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-D-tryptophan (Compound 1) | | 分子名称: | (2~{R})-2-[(1-chloranyl-4-oxidanyl-isoquinolin-3-yl)carbonylamino]-3-(1~{H}-indol-3-yl)propanoic acid, Class B metallo-beta-lactamase, GLYCEROL, ... | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.957 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
|
|
6TJ9
 | | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 5-O-phosphono-D-xylulose, ... | | 著者 | Rabe von Pappenheim, F, Tittmann, K. | | 登録日 | 2019-11-25 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.95 Å) | | 主引用文献 | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
|
|
7BWV
 | |
7P3W
 | | F1Fo-ATP synthase from Acinetobacter baumannii (state 3) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T. | | 登録日 | 2021-07-08 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii.
Sci Adv, 8, 2022
|
|
5N55
 | | mono-Zinc VIM-5 metallo-beta-lactamase in complex with (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan (Compound 2) | | 分子名称: | (1-chloro-4-hydroxyisoquinoline-3-carbonyl)-L-tryptophan, Class B metallo-beta-lactamase, ZINC ION | | 著者 | Li, G.-B, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2017-02-13 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Crystallographic analyses of isoquinoline complexes reveal a new mode of metallo-beta-lactamase inhibition.
Chem. Commun. (Camb.), 53, 2017
|
|
7P3N
 | | F1Fo-ATP synthase from Acinetobacter baumannii (state 2) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T. | | 登録日 | 2021-07-08 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | | 主引用文献 | Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii.
Sci Adv, 8, 2022
|
|
7P2Y
 | | F1Fo-ATP synthase from Acinetobacter baumannii (state 1) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | 著者 | Demmer, J.K, Phillips, B.P, Uhrig, O.L, Filloux, A, Allsopp, L.P, Bublitz, M, Meier, T. | | 登録日 | 2021-07-06 | | 公開日 | 2022-02-02 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of ATP synthase from ESKAPE pathogen Acinetobacter baumannii.
Sci Adv, 8, 2022
|
|
7BVU
 | |
8EBN
 | |
5LV2
 | | Crystal structure of mouse CARM1 in complex with inhibitor LH1246 | | 分子名称: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | 著者 | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | 登録日 | 2016-09-12 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
|
|
6QKJ
 | | EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine | | 分子名称: | CHLORIDE ION, FE (III) ION, IMIDAZOLE, ... | | 著者 | Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P. | | 登録日 | 2019-01-29 | | 公開日 | 2019-03-27 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
|
|
8DP1
 | |
8DOW
 | |
9AYF
 | | Structure of human calcium-sensing receptor in complex with Gi1 (miniGi1) protein in detergent | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine, ... | | 著者 | Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R. | | 登録日 | 2024-03-07 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
|
|
1H5U
 | | THE 1.76 A RESOLUTION CRYSTAL STRUCTURE OF GLYCOGEN PHOSPHORYLASE B COMPLEXED WITH GLUCOSE AND CP320626, A POTENTIAL ANTIDIABETIC DRUG | | 分子名称: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-1YL)-2-OXOETHYL]AMIDE, GLYCOGEN PHOSPHORYLASE, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Oikonomakos, N.G, Zographos, S.E, Skamnaki, V.T, Archontis, G. | | 登録日 | 2001-05-25 | | 公開日 | 2001-06-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | The 1.76 A Resolution Crystal Structure of Glycogen Phosphorylase B Complexed with Glucose, and Cp320626, a Potential Antidiabetic Drug
Bioorg.Med.Chem., 10, 2002
|
|
6TJ8
 | | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate | | 分子名称: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, ... | | 著者 | Rabe von Pappenheim, F, Tittmann, K. | | 登録日 | 2019-11-25 | | 公開日 | 2020-07-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.921 Å) | | 主引用文献 | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
|
|
6TPJ
 | | Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution | | 分子名称: | AMMONIUM ION, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | | 著者 | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | 登録日 | 2019-12-13 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
|
|
6R0X
 | | The extracellular domain of G6b-B in complex with Fab fragment and DP12 heparin oligosaccharide. | | 分子名称: | 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Megakaryocyte and platelet inhibitory receptor G6b, antibody fab fragment heavy chain, ... | | 著者 | Ogg, D.J, McMiken, H.J, Howard, T.D. | | 登録日 | 2019-03-13 | | 公開日 | 2019-09-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.13 Å) | | 主引用文献 | Heparan sulfates are critical regulators of the inhibitory megakaryocyte-platelet receptor G6b-B.
Elife, 8, 2019
|
|
8TPA
 | | H1 hemagglutinin (NC99) in complex with medial-junction-targeting Fab 2-2-1G06 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 2-2-1G06, ... | | 著者 | Yang, Y.R, Han, J, Perrett, H.R, Ward, A.B. | | 登録日 | 2023-08-04 | | 公開日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Immune memory shapes human polyclonal antibody responses to H2N2 vaccination.
Biorxiv, 2023
|
|
6XMX
 | | Cryo-EM structure of BCL6 bound to BI-3802 | | 分子名称: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | | 著者 | Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S. | | 登録日 | 2020-07-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
|
|
6RLS
 | | Concerted dynamics of metallo-base pairs in an A/B-form helical transition (apo species) | | 分子名称: | DNA (5'-D(*CP*GP*TP*CP*TP*CP*AP*TP*GP*AP*TP*AP*CP*G)-3')_apo | | 著者 | Schmidt, O.P, Jurt, S, Johannsen, S, Karimi, A, Sigel, R.K.O, Luedtke, N.W. | | 登録日 | 2019-05-02 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Concerted dynamics of metallo-base pairs in an A/B-form helical transition.
Nat Commun, 10, 2019
|
|
6RMF
 | | Crystal structure of NDM-1 with VNRX-5133 | | 分子名称: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ... | | 著者 | Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J. | | 登録日 | 2019-05-06 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
|
|
6UFT
 | |
7A3G
 | | Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, 91 | | 分子名称: | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione, CHLORIDE ION, Dipeptidyl peptidase 8, ... | | 著者 | Ross, B.H, Huber, R. | | 登録日 | 2020-08-18 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.
Angew.Chem.Int.Ed.Engl., 2022
|
|
