3M7Q
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![BU of 3m7q by Molmil](/molmil-images/mine/3m7q) | Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Caribbean sea anemone stichodactyla helianthus in complex with bovine pancreatic trypsin | 分子名称: | Cationic trypsin, Kunitz-type proteinase inhibitor SHPI-1, PHOSPHATE ION | 著者 | Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Gil, D, Talavera, A, Gonzalez, Y, de los angeles Chavez, M, Betzel, C. | 登録日 | 2010-03-17 | 公開日 | 2011-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insights into serine protease inhibition by a marine invertebrate BPTI Kunitz-type inhibitor. J.Struct.Biol., 180, 2012
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6R50
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6R5C
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![BU of 6r5c by Molmil](/molmil-images/mine/6r5c) | |
6R51
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6SGP
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![BU of 6sgp by Molmil](/molmil-images/mine/6sgp) | X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu | 分子名称: | (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Barinka, C, Shukla, S, Motlova, L. | 登録日 | 2019-08-05 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
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7KO8
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![BU of 7ko8 by Molmil](/molmil-images/mine/7ko8) | Cryo-EM structure of the mature and infective Mayaro virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein, E1 glycoprotein, ... | 著者 | Riberio-Filho, H.V, Coimbra, L.D, Cassago, A, Rocha, R.P.F, Padilha, A.C.M, Schatz, M, van Heel, M.G, Portugal, R.V, Trivella, D.B.B, de Oliveira, P.S.L, Marques, R.E. | 登録日 | 2020-11-06 | 公開日 | 2021-04-28 | 最終更新日 | 2021-11-10 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Cryo-EM structure of the mature and infective Mayaro virus at 4.4 angstrom resolution reveals features of arthritogenic alphaviruses. Nat Commun, 12, 2021
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4Z87
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![BU of 4z87 by Molmil](/molmil-images/mine/4z87) | Structure of the IMP dehydrogenase from Ashbya gossypii bound to GDP | 分子名称: | ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, ... | 著者 | Buey, R.M, de Pereda, J.M, Revuelta, J.L. | 登録日 | 2015-04-08 | 公開日 | 2015-11-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases. Nat Commun, 6, 2015
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3T4H
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![BU of 3t4h by Molmil](/molmil-images/mine/3t4h) | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ... | 著者 | Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2011-07-26 | 公開日 | 2012-03-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
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3H5Z
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![BU of 3h5z by Molmil](/molmil-images/mine/3h5z) | Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | 分子名称: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | 著者 | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | 登録日 | 2009-04-22 | 公開日 | 2009-05-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness. Nature, 464, 2010
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1MIT
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![BU of 1mit by Molmil](/molmil-images/mine/1mit) | RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V) (NMR, MINIMIZED AVERAGE STRUCTURE) | 分子名称: | TRYPSIN INHIBITOR V | 著者 | Cai, M, Gong, Y, Huang, Y, Liu, J, Prakash, O, Wen, L, Wen, J.J, Huang, J.-K, Krishnamoorthi, R. | 登録日 | 1995-10-26 | 公開日 | 1996-04-03 | 最終更新日 | 2017-11-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure and backbone dynamics of recombinant Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy. Biochemistry, 35, 1996
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4NCG
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![BU of 4ncg by Molmil](/molmil-images/mine/4ncg) | Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses | 分子名称: | 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT | 著者 | Yan, Y. | 登録日 | 2013-10-24 | 公開日 | 2014-02-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses. Bioorg.Med.Chem.Lett., 24, 2014
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7NIO
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![BU of 7nio by Molmil](/molmil-images/mine/7nio) | Crystal structure of the SARS-CoV-2 helicase APO form | 分子名称: | SARS-CoV-2 helicase NSP13, ZINC ION | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-12 | 公開日 | 2021-03-17 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7NN0
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![BU of 7nn0 by Molmil](/molmil-images/mine/7nn0) | Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-23 | 公開日 | 2021-03-24 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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4Z0G
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![BU of 4z0g by Molmil](/molmil-images/mine/4z0g) | Structure of the IMPDH from Ashbya gossypii bound to GMP | 分子名称: | GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, ... | 著者 | Buey, R.M, de Pereda, J.M, Revuelta, J.L. | 登録日 | 2015-03-26 | 公開日 | 2015-11-25 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases. Nat Commun, 6, 2015
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3T4V
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![BU of 3t4v by Molmil](/molmil-images/mine/3t4v) | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine | 分子名称: | Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ... | 著者 | Aik, W.S, McDonough, M.A, Schofield, C.J. | 登録日 | 2011-07-26 | 公開日 | 2012-03-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.732 Å) | 主引用文献 | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
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5NHW
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![BU of 5nhw by Molmil](/molmil-images/mine/5nhw) | CRYSTAL STRUCTURE OF THE BIMAGRUMAB Fab | 分子名称: | GLYCEROL, anti-human ActRII Bimagrumab Fab heavy-chain, anti-human ActRII Bimagrumab Fab light-chain | 著者 | Rondeau, J.-M. | 登録日 | 2017-03-22 | 公開日 | 2017-11-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Blockade of activin type II receptors with a dual anti-ActRIIA/IIB antibody is critical to promote maximal skeletal muscle hypertrophy. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4CJN
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![BU of 4cjn by Molmil](/molmil-images/mine/4cjn) | Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand | 分子名称: | (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ... | 著者 | Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A. | 登録日 | 2013-12-21 | 公開日 | 2015-02-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.947 Å) | 主引用文献 | Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One. J.Am.Chem.Soc., 137, 2015
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7NNG
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![BU of 7nng by Molmil](/molmil-images/mine/7nng) | Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104 | 分子名称: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ... | 著者 | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | 登録日 | 2021-02-24 | 公開日 | 2021-04-07 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5NH3
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6BNJ
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![BU of 6bnj by Molmil](/molmil-images/mine/6bnj) | Human hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((R)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | 分子名称: | (3-{(3R,4R)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-[(2R)-2-hydroxy-2-phosphonoethoxy]pyrrolidin-1-yl}-3-oxopropy l)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | 著者 | Keough, D.T, Rejman, D, Guddat, L.W. | 登録日 | 2017-11-16 | 公開日 | 2017-12-06 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.909 Å) | 主引用文献 | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 13, 2018
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5BNB
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4JOA
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![BU of 4joa by Molmil](/molmil-images/mine/4joa) | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | 分子名称: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | 著者 | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | 登録日 | 2013-03-18 | 公開日 | 2013-07-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode Bioorg.Med.Chem.Lett., 23, 2013
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6B09
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3T3Y
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6BO7
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![BU of 6bo7 by Molmil](/molmil-images/mine/6bo7) | Crystal structure of Plasmodium vivax hypoxanthine guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine | 分子名称: | Hypoxanthine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid | 著者 | Guddat, L.W, Keough, D.T, Rejman, D. | 登録日 | 2017-11-18 | 公開日 | 2017-12-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.856 Å) | 主引用文献 | Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics. ACS Chem. Biol., 13, 2018
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