9GTW
 
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with iminosugar compound 3g | | 分子名称: | (2~{S},3~{S},4~{S},5~{S})-2-heptyl-5-(hydroxymethyl)pyrrolidine-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sulzenbacher, G, Roig-Zamboni, V, Moracci, M, Parenti, G, Py, S. | | 登録日 | 2024-09-18 | | 公開日 | 2025-10-01 | | 最終更新日 | 2025-10-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | C -Branched Iminosugars as Selective Pharmacological Chaperones of Lysosomal alpha-Glucosidase for the Treatment of Pompe Disease.
J.Med.Chem., 68, 2025
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3MW2
 | | Crystal structure of beta-neurexin 1 with the splice insert 4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Neurexin-1-alpha, PHOSPHATE ION | | 著者 | Jin, X, Shapiro, L. | | 登録日 | 2010-05-05 | | 公開日 | 2010-07-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Splice Form Dependence of beta-Neurexin/Neuroligin Binding Interactions.
Neuron, 67, 2010
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4NNN
 | | yCP in complex with MG132 | | 分子名称: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide, Probable proteasome subunit alpha type-7, ... | | 著者 | Stein, M.L, Cui, H, Beck, P, Dubiella, C, Voss, C, Krueger, A, Schmidt, B, Groll, M. | | 登録日 | 2013-11-18 | | 公開日 | 2014-02-12 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5FJL
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7SEC
 | | Crystal structure of human Fibrillarin in complex with compound 1a | | 分子名称: | 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | 著者 | Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T. | | 登録日 | 2021-09-30 | | 公開日 | 2022-02-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
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1ZTJ
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 2-(5-Benzylamino-2-methylsulfanyl-6-oxo-6H-pyrimidin-1-yl)-N-[4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide | | 分子名称: | 2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE, BICARBONATE ION, Coagulation factor XI, ... | | 著者 | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R.E, Strickler, J.E, Abdel-Meguid, S.S. | | 登録日 | 2005-05-27 | | 公開日 | 2006-05-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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6DFJ
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4NQE
 | | Crystal structure of TCR-MR1 ternary complex bound to 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2013-11-25 | | 公開日 | 2014-04-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | T-cell activation by transitory neo-antigens derived from distinct microbial pathways.
Nature, 509, 2014
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4NEW
 | | Crystal structure of Trypanothione Reductase from Trypanosoma cruzi in complex with inhibitor EP127 (5-{5-[1-(PYRROLIDIN-1-YL)CYCLOHEXYL]-1,3-THIAZOL-2-YL}-1H-INDOLE) | | 分子名称: | 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, Trypanothione reductase, ... | | 著者 | Persch, E, Bryson, S, Pai, E.F, Krauth-Siegel, R.L, Diederich, F. | | 登録日 | 2013-10-30 | | 公開日 | 2014-05-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Binding to large enzyme pockets: small-molecule inhibitors of trypanothione reductase.
Chemmedchem, 9, 2014
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6DB0
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2PCL
 | | Crystal structure of ABC transporter with complex (aq_297) from aquifex aeolicus VF5 | | 分子名称: | 1,2-ETHANEDIOL, Lipoprotein-releasing system ATP-binding protein lolD, MAGNESIUM ION, ... | | 著者 | Jeyakanthan, J, Kanaujia, S.P, Rafi, Z.A, Sekar, K, Ebihara, A, Nakagawa, N, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2007-03-30 | | 公開日 | 2007-10-02 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of ABC transporter with complex (aq_297) from aquifex aeolicus VF5
To be Published
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1ZVX
 | | Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer) | | 分子名称: | (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID, CALCIUM ION, Neutrophil collagenase, ... | | 著者 | Pochetti, G, Gavuzzo, E, Campestre, C, Agamennone, M, Tortorella, P, Consalvi, V, Gallina, C, Hiller, O, Tschesche, H, Tucker, P.A, Mazza, F. | | 登録日 | 2005-06-03 | | 公開日 | 2006-05-16 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates.
J.Med.Chem., 49, 2006
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5FNI
 | | Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination | | 分子名称: | 5-[[3,4-bis(chloranyl)phenoxy]methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene, 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 | 2015-11-15 | | 公開日 | 2016-03-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 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
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7SCR
 | | Crystal structure of trypanosome brucei hypoxanthine-guanine-xanthine phosphoribzosyltransferase in complex with (4S,7S)-7-hydroxy-4-((guanin-9-yl)methyl)-2,5-dioxaheptan-1,7-diphosphonate | | 分子名称: | ({(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2S)-2-hydroxy-2-phosphonoethoxy]propoxy}methyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase | | 著者 | Guddat, L.W, Keough, D.T. | | 登録日 | 2021-09-29 | | 公開日 | 2022-03-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.12068486 Å) | | 主引用文献 | Stereo-Defined Acyclic Nucleoside Phosphonates are Selective and Potent Inhibitors of Parasite 6-Oxopurine Phosphoribosyltransferases.
J.Med.Chem., 65, 2022
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7S4X
 | | Cas9:gRNA in complex with 18-20MM DNA, 1 minute time-point, kinked active conformation | | 分子名称: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, NTS, ... | | 著者 | Bravo, J.P.K, Taylor, D.W, Liu, M.S, Johnson, K.A. | | 登録日 | 2021-09-09 | | 公開日 | 2022-03-02 | | 最終更新日 | 2025-05-21 | | 実験手法 | ELECTRON MICROSCOPY (2.76 Å) | | 主引用文献 | Structural basis for mismatch surveillance by CRISPR-Cas9.
Nature, 603, 2022
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5F9T
 | | Crystal Structure of Streptococcus pneumoniae NanC, covalent complex with a fluorinated Neu5Ac derivative | | 分子名称: | (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, GLYCEROL, ... | | 著者 | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | | 登録日 | 2015-12-10 | | 公開日 | 2015-12-23 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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1ZTL
 | | Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with N-[4-Guanidino-1-(thiazole-2-carbonyl)-butyl]-2-{6-oxo-5-[(quinolin-8-ylmethyl)-amino]-2-m-tolyl-6H-pyrimidin-1-yl}-acetamide | | 分子名称: | Coagulation factor XI, N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE, SULFATE ION | | 著者 | Nagafuji, P, Jin, L, Rynkiewicz, M, Quinn, J, Bibbins, F, Meyers, H, Babine, R, Strickler, J.E, Abdel-Meguid, S.S. | | 登録日 | 2005-05-27 | | 公開日 | 2006-05-09 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Pyrimidinone Inhibitors of a Thrombolytic Protease
To be Published
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7SL7
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7SL1
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7SPA
 | | Chlorella virus Hyaluronan Synthase in the GlcNAc-primed, channel-open state | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | 著者 | Maloney, F.P, Kuklewicz, J, Zimmer, J. | | 登録日 | 2021-11-02 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
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7ZLU
 | | Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with UDP-2-deoxy-2-fluoro-D-glucose | | 分子名称: | 1,3-PROPANDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Roversi, P, Zitzmann, N, Bayo, Y, Ibba, R. | | 登録日 | 2022-04-15 | | 公開日 | 2022-06-22 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.049 Å) | | 主引用文献 | A quinolin-8-ol sub-millimolar inhibitor of UGGT, the ER glycoprotein folding quality control checkpoint.
Iscience, 26, 2023
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7SP8
 | | Chlorella virus Hyaluronan Synthase bound to UDP-GlcNAc | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Hyaluronan synthase, ... | | 著者 | Maloney, F.P, Kuklewicz, J, Zimmer, J. | | 登録日 | 2021-11-02 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-10-30 | | 実験手法 | ELECTRON MICROSCOPY (2.7 Å) | | 主引用文献 | Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
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7SP7
 | | Chlorella virus hyaluronan synthase inhibited by UDP | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Hyaluronan synthase, ... | | 著者 | Maloney, F.P, Kuklewicz, J, Zimmer, J. | | 登録日 | 2021-11-02 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
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7SP6
 | | Chlorella virus hyaluronan synthase | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CHOLESTEROL HEMISUCCINATE, Hyaluronan synthase, ... | | 著者 | Maloney, F.P, Kuklewicz, J, Zimmer, J. | | 登録日 | 2021-11-02 | | 公開日 | 2022-04-06 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure, substrate recognition and initiation of hyaluronan synthase.
Nature, 604, 2022
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7S4G
 | | Fab fragment bound to the Cter peptide of Ly6G6D | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ... | | 著者 | Rouge, L, Lupardus, P. | | 登録日 | 2021-09-08 | | 公開日 | 2022-04-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
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