6CTX
 
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CBr2, beta, gamma dCTP analogue | | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2018-03-23 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
|
|
6CTV
 | | Ternary complex crystal structure of DNA polymerase Beta with a dideoxy terminated primer with CF2, beta, gamma dCTP analogue | | 分子名称: | 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE, 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, CHLORIDE ION, ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2018-03-23 | | 公開日 | 2018-06-20 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Mapping Functional Substrate-Enzyme Interactions in the pol beta Active Site through Chemical Biology: Structural Responses to Acidity Modification of Incoming dNTPs.
Biochemistry, 57, 2018
|
|
6PH6
 | |
5TZL
 | | Structure of transthyretin in complex with the kinetic stabilizer 201 | | 分子名称: | 4-(7-chloro-1,3-benzoxazol-2-yl)-2,6-diiodophenol, Transthyretin | | 著者 | Connelly, S, Mortenson, D.E, Choi, S, Wilson, I.A, Powers, E.T, Kelly, J.W, Johnson, S.M. | | 登録日 | 2016-11-21 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Semi-quantitative models for identifying potent and selective transthyretin amyloidogenesis inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
6X3L
 | | Sortilin-Progranulin Interaction With Compound 2 | | 分子名称: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | 著者 | Parthasarathy, G, Soisson, S.M. | | 登録日 | 2020-05-21 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
6X48
 | | Sortilin-Progranulin Interaction With Compound 17 | | 分子名称: | GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ... | | 著者 | Parthasarathy, G, Soisson, S.M. | | 登録日 | 2020-05-22 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
8AX5
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029881 | | 分子名称: | (1~{R},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3,5,7(30),20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | 著者 | Southall, S.M, Watson, S.P. | | 登録日 | 2022-08-30 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
|
|
8AX6
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0029882 | | 分子名称: | (1~{S},10~{R},20~{E})-12-methyl-10-[(7-methyl-2~{H}-indazol-5-yl)methyl]-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, ... | | 著者 | Southall, S.M, Watson, S.P. | | 登録日 | 2022-08-30 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
|
|
8AX7
 | | Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0031448 | | 分子名称: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione, ACETATE ION, Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, ... | | 著者 | Southall, S.M, Watson, S.P. | | 登録日 | 2022-08-30 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode.
Acs Med.Chem.Lett., 13, 2022
|
|
4RT2
 | | Ternary complex crystal structure of DNA polymerase Beta with (alpha,beta)-CH2-(beta,gamma)-NH-dTTP | | 分子名称: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]methyl}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2014-11-12 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP.
Org.Lett., 17, 2015
|
|
6X4H
 | | Sortilin-Progranulin Interaction With Compound 24 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | | 著者 | Parthasarathy, G, Soisson, S.M, Klein, D. | | 登録日 | 2020-05-22 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
|
|
6XR8
 | | Distinct conformational states of SARS-CoV-2 spike protein | | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Volloch, S.R, Chen, B. | | 登録日 | 2020-07-11 | | 公開日 | 2020-07-22 | | 最終更新日 | 2020-11-25 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Distinct conformational states of SARS-CoV-2 spike protein.
Science, 369, 2020
|
|
6XRA
 | | Distinct conformational states of SARS-CoV-2 spike protein | | 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, Spike glycoprotein, ... | | 著者 | Zhang, J, Cai, Y.F, Xiao, T.S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Rawson, S, Rits-Volloch, S, Chen, B. | | 登録日 | 2020-07-11 | | 公開日 | 2020-07-22 | | 最終更新日 | 2020-10-07 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Distinct conformational states of SARS-CoV-2 spike protein.
Science, 369, 2020
|
|
6V05
 | | Cryo-EM structure of a substrate-engaged Bam complex | | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | | 著者 | Tomasek, D, Rawson, S, Lee, J, Wzorek, J.S, Harrison, S.C, Li, Z, Kahne, D. | | 登録日 | 2019-11-18 | | 公開日 | 2020-06-10 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Structure of a nascent membrane protein as it folds on the BAM complex.
Nature, 583, 2020
|
|
6Y6K
 | | Cryo-EM structure of a Phenuiviridae L protein | | 分子名称: | MAGNESIUM ION, RNA-dependent RNA polymerase | | 著者 | Vogel, D, Thorkelsson, S.R, Quemin, E, Meier, K, Kouba, T, Gogrefe, N, Busch, C, Reindl, S, Guenther, S, Cusack, S, Gruenewald, K, Rosenthal, M. | | 登録日 | 2020-02-26 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | | 主引用文献 | Structural and functional characterization of the severe fever with thrombocytopenia syndrome virus L protein.
Nucleic Acids Res., 48, 2020
|
|
3S40
 | | The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne | | 分子名称: | diacylglycerol kinase | | 著者 | Tan, K, Zhang, R, Xu, X, Cui, H, Peterson, S, Savchenko, A, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2011-05-18 | | 公開日 | 2011-06-01 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of a diacylglycerol kinases from Bacillus anthracis str. Sterne
To be Published
|
|
3UFG
 | | The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC in complex with ATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Glycyl-tRNA synthetase alpha subunit, LEUCINE | | 著者 | Tan, K, Zhou, M, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2011-11-01 | | 公開日 | 2011-11-09 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.552 Å) | | 主引用文献 | The crystal structure of glycyl-tRNA synthetase subunit alpha from Campylobacter jejuni subsp. jejuni NCTC in complex with ATP
To be Published
|
|
5NJG
 | | Structure of an ABC transporter: part of the structure that could be built de novo | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | | 著者 | Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P. | | 登録日 | 2017-03-28 | | 公開日 | 2017-06-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | ELECTRON MICROSCOPY (3.78 Å) | | 主引用文献 | Structure of the human multidrug transporter ABCG2.
Nature, 546, 2017
|
|
1U21
 | | transthyretin with tethered inhibitor on one monomer. | | 分子名称: | 2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID, Transthyretin | | 著者 | Wiseman, R.L, Johnson, S.M, Kelker, M.S, Foss, T, Wilson, I.A, Kelly, J.W. | | 登録日 | 2004-07-16 | | 公開日 | 2005-06-28 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Kinetic stabilization of an oligomeric protein by a single ligand binding event
J.Am.Chem.Soc., 127, 2005
|
|
4RT3
 | | Ternary complex crystal structure of DNA polymerase Beta with (alpha, beta)-NH-(beta,gamma)-CH2-dTTP | | 分子名称: | 2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]amino}phosphoryl]-3,4-dihydrothymidine, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Batra, V.K, Wilson, S.H. | | 登録日 | 2014-11-12 | | 公開日 | 2015-07-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Two Scaffolds from Two Flips: (alpha, beta)/(beta, gamma) CH2/NH "Met-Im" Analogues of dTTP.
Org.Lett., 17, 2015
|
|
4TT9
 | |
4RM4
 | | The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Zhouw, W.H, Zhang, A.L, Zhang, T, Hall, E.A, Hutchinson, S, Cryle, M.J, Wong, L.-L, Bell, S.G. | | 登録日 | 2014-10-18 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.771 Å) | | 主引用文献 | The crystal structure of the versatile cytochrome P450 enzyme CYP109B1 from Bacillus subtilis.
Mol Biosyst, 11, 2015
|
|
8KCZ
 | | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione | | 分子名称: | 3-ketosteroid dehydrogenase, ANDROSTA-1,4-DIENE-3,17-DIONE, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Hu, Y.L, Li, X, Cheng, X.Y, Song, S.K, Su, Z.D. | | 登録日 | 2023-08-08 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure of 3-ketosteroid delta1-dehydrogenase from Rhodococcus erythropolis SQ1 in complex with 1,4-androstadiene-3,17- dione
To Be Published
|
|
6DIA
 | | DNA polymerase beta substrate complex with templating cytosine and incoming Fapy-dGTP analog | | 分子名称: | 1-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-2,5-anhydro-1,3-dideoxy-6-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-ribo-hexitol, CALCIUM ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Freudenthal, B.D, Smith, M.R, Wilson, S.H, Beard, W.A. | | 登録日 | 2018-05-23 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.969 Å) | | 主引用文献 | A guardian residue hinders insertion of a Fapy•dGTP analog by modulating the open-closed DNA polymerase transition.
Nucleic Acids Res., 47, 2019
|
|
4KMQ
 | | 1.9 Angstrom resolution crystal structure of uncharacterized protein lmo2446 from Listeria monocytogenes EGD-e | | 分子名称: | Lmo2446 protein, MAGNESIUM ION | | 著者 | Halavaty, A.S, Minasov, G, Filippova, E.V, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-05-08 | | 公開日 | 2013-05-29 | | 最終更新日 | 2017-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure to function of an alpha-glucan metabolic pathway that promotes Listeria monocytogenes pathogenesis.
Nat Microbiol, 2, 2016
|
|
