2JI4
 
 | | Human phosphoribosylpyrophosphate synthetase - associated protein 41 (PAP41) | | 分子名称: | CHLORIDE ION, PHOSPHORIBOSYL PYROPHOSPHATE SYNTHETASE-ASSOCIATED PROTEIN 2 | | 著者 | Moche, M, Lehtio, L, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Karlberg, T, Kotenyova, T, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | | 登録日 | 2007-02-26 | | 公開日 | 2007-03-06 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Human Phosphoribosylpyrophosphate Synthetase -Associated Protein 41 (Pap41)
To be Published
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8CEY
 | | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233 | | 分子名称: | N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide | | 著者 | Kosenina, S, Scaletti, E.R, Stenmark, P. | | 登録日 | 2023-02-02 | | 公開日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH11233
To Be Published
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4DJZ
 | | Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold | | 分子名称: | Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2 | | 著者 | Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | | 登録日 | 2012-02-03 | | 公開日 | 2012-04-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2.
J.Biol.Chem., 287, 2012
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6CYU
 | | Crystal structure of CTX-M-14 S70G/N106S/D240G beta-lactamase in complex with hydrolyzed cefotaxime | | 分子名称: | (2R)-2-[(R)-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro -2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase | | 著者 | Patel, M.P, Hu, L, Sankaran, B, Brown, C, Prasad, B.V.V, Palzkill, T. | | 登録日 | 2018-04-06 | | 公開日 | 2018-10-10 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | Synergistic effects of functionally distinct substitutions in beta-lactamase variants shed light on the evolution of bacterial drug resistance.
J. Biol. Chem., 293, 2018
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8ACD
 | | Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GA-17S | | 分子名称: | (2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide, 3C-like proteinase nsp5 | | 著者 | Strater, N, Muller, C.E, Sylvester, K, Claff, T, Weisse, R.H, Gao, S, Tollefson, A.E, Liu, X, Zhan, P. | | 登録日 | 2022-07-05 | | 公開日 | 2022-09-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity.
J.Med.Chem., 65, 2022
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6T07
 | | Crystal structure of YTHDC1 with fragment 20 (DHU_DC1_134) | | 分子名称: | SULFATE ION, YTH domain-containing protein 1, ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-02 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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3E7C
 | | Glucocorticoid Receptor LBD bound to GSK866 | | 分子名称: | 5-amino-N-[(2S)-2-({[(2,6-dichlorophenyl)carbonyl](ethyl)amino}methyl)-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide, GLYCEROL, Glucocorticoid receptor, ... | | 著者 | Madauss, K.P, Williams, S.P, Mclay, I, Stewart, E.L, Bledsoe, R.K. | | 登録日 | 2008-08-18 | | 公開日 | 2008-11-25 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist.
Bioorg.Med.Chem.Lett., 18, 2008
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8SNK
 | | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 mutant (MfmA/D188N) | | 分子名称: | ZINC ION, metformin hydrolase subunit A, metformin hydrolase subunit B | | 著者 | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | | 登録日 | 2023-04-27 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes.
Proc.Natl.Acad.Sci.USA, 121, 2024
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1SGG
 | | THE SOLUTION STRUCTURE OF SAM DOMAIN FROM THE RECEPTOR TYROSINE KINASE EPHB2, NMR, 10 STRUCTURES | | 分子名称: | EPHRIN TYPE-B RECEPTOR 2 | | 著者 | Smalla, M, Schmieder, P, Kelly, M, Ter Laak, A, Krause, G, Ball, L, Wahl, M, Bork, P, Oschkinat, H. | | 登録日 | 1999-01-08 | | 公開日 | 1999-10-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the receptor tyrosine kinase EphB2 SAM domain and identification of two distinct homotypic interaction sites.
Protein Sci., 8, 1999
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6T0X
 | | Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001) | | 分子名称: | (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-03 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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6T11
 | | Crystal structure of YTHDC1 with fragment 29 (DHU_DC1_218) | | 分子名称: | N-methyl-1H-indole-7-carboxamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-03 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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1P4H
 | | Crystal structure of glycogen phosphorylase b in complex with C-(1-acetamido-alpha-D-glucopyranosyl) formamide | | 分子名称: | 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, Glycogen phosphorylase, muscle form, ... | | 著者 | Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P. | | 登録日 | 2003-04-23 | | 公開日 | 2004-05-18 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
Biocatal.Biotransfor., 21, 2003
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7SR3
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1P7W
 | | Crystal structure of the complex of Proteinase K with a designed heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at atomic resolution | | 分子名称: | CALCIUM ION, NITRATE ION, inhibitor peptide, ... | | 著者 | Bilgrami, S, Perbandt, M, Chandra, V, Banumathi, S, Kaur, P, Betzel, C, Singh, T.P. | | 登録日 | 2003-05-06 | | 公開日 | 2004-05-18 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | | 主引用文献 | Crystal structure of the complex of Proteinase K with heptapeptide inhibitor Pro-Ala-Pro-Phe-Ala-Ser-Ala at atomic resolution
To be published
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2JGS
 | | Circular permutant of avidin | | 分子名称: | BIOTIN, CIRCULAR PERMUTANT OF AVIDIN | | 著者 | Maatta, J.A.E, Hytonen, V.P, Airenne, T.T, Niskanen, E, Johnson, M.S, Kulomaa, M.S, Nordlund, H.R. | | 登録日 | 2007-02-14 | | 公開日 | 2008-03-04 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational Modification of Ligand-Binding Preference of Avidin by Circular Permutation and Mutagenesis.
Chembiochem, 9, 2008
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3M2U
 | | Structural Insight into Methyl-Coenzyme M Reductase Chemistry using Coenzyme B Analogues | | 分子名称: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ... | | 著者 | Cedervall, P.E, Dey, M, Ragsdale, S.W, Wilmot, C.M. | | 登録日 | 2010-03-08 | | 公開日 | 2010-09-15 | | 最終更新日 | 2017-03-29 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural insight into methyl-coenzyme M reductase chemistry using coenzyme B analogues.
Biochemistry, 49, 2010
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5Z9Y
 | | Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP | | 分子名称: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase | | 著者 | Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y. | | 登録日 | 2018-02-05 | | 公開日 | 2018-04-11 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG).
Biochem. Biophys. Res. Commun., 497, 2018
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8T9A
 | | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3 | | 分子名称: | DDB1- and CUL4-associated factor 12, DNA damage-binding protein 1, Melanoma-associated antigen 3 | | 著者 | Duda, D, Righetto, G, Li, Y, Loppnau, P, Seitova, A, Santhakumar, V, Halabelian, L, Yin, Y. | | 登録日 | 2023-06-23 | | 公開日 | 2024-04-10 | | 実験手法 | ELECTRON MICROSCOPY (3.17 Å) | | 主引用文献 | CryoEM structure of human DDB1-DCAF12 in complex with MAGEA3
To Be Published
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7T34
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6SQW
 | | Mouse dCTPase in complex with 5-Me-dCMP | | 分子名称: | 5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, dCTP pyrophosphatase 1 | | 著者 | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | | 登録日 | 2019-09-04 | | 公開日 | 2020-01-29 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products.
J.Mol.Biol., 432, 2020
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8CQ2
 | | Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, C16S, C20S, C870S, T1279C mutant | | 分子名称: | TcdA1 | | 著者 | Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S. | | 登録日 | 2023-03-03 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Kinetics of the syringe-like injection mechanism of Tc toxins
to be published
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1OZJ
 | | Crystal structure of Smad3-MH1 bound to DNA at 2.4 A resolution | | 分子名称: | SMAD 3, Smad binding element, ZINC ION | | 著者 | Chai, J, Wu, J.-W, Yan, N, Massague, J, Pavletich, N.P, Shi, Y. | | 登録日 | 2003-04-09 | | 公開日 | 2004-03-23 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Features of a Smad3 MH1-DNA complex. Roles of water and zinc in DNA binding.
J.Biol.Chem., 278, 2003
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6D3Z
 | | Protease SFTI complex | | 分子名称: | Plasminogen, Trypsin inhibitor 1 | | 著者 | Law, R.H.P, Wu, G. | | 登録日 | 2018-04-17 | | 公開日 | 2019-01-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.
J. Med. Chem., 62, 2019
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8CQ0
 | | Photorhabdus luminescens TcdA1 prepore-to-pore intermediate, K567W K2008W mutant | | 分子名称: | TcdA1 | | 著者 | Nganga, P.N, Roderer, D, Belyy, A, Prumbaum, D, Raunser, S. | | 登録日 | 2023-03-03 | | 公開日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Kinetics of the syringe-like injection mechanism of Tc toxins
to be published
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6T10
 | | Crystal structure of YTHDC1 with fragment 28 (DHU_DC1_176) | | 分子名称: | 5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | 登録日 | 2019-10-03 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments.
Acs Chem.Biol., 15, 2020
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