4MR1
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6BAN
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4NA7
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![BU of 4na7 by Molmil](/molmil-images/mine/4na7) | Factor XIA in complex with the inhibitor 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid | 分子名称: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid, Coagulation factor XI, SULFATE ION | 著者 | Wei, A. | 登録日 | 2013-10-21 | 公開日 | 2014-02-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors. J.Med.Chem., 57, 2014
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6BD8
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![BU of 6bd8 by Molmil](/molmil-images/mine/6bd8) | Crystal structure of human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide | 著者 | Sevrioukova, I. | 登録日 | 2017-10-21 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay Mol. Pharm., 2017
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6BDK
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![BU of 6bdk by Molmil](/molmil-images/mine/6bdk) | Crystal structure of human CYP3A4 bound to an inhibitor | 分子名称: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-2-(cyclopentylamino)-3-oxo-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-(1H-indol-3-yl)propan-2-yl]carbamate | 著者 | Sevrioukova, I. | 登録日 | 2017-10-23 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Inhibition of Human CYP3A4 by Rationally Designed Ritonavir-Like Compounds: Impact and Interplay of the Side Group Functionalities. Mol Pharm., 15, 2018
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4MTA
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6MK9
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![BU of 6mk9 by Molmil](/molmil-images/mine/6mk9) | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 | 分子名称: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease | 著者 | Yedidi, R.S, Hayashi, H, Das, D, Mitsuya, H. | 登録日 | 2018-09-25 | 公開日 | 2019-10-02 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-121 To Be Published
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4MWH
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![BU of 4mwh by Molmil](/molmil-images/mine/4mwh) | Crystal structure of scCK2 alpha in complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Casein kinase II subunit alpha, MAGNESIUM ION, ... | 著者 | Liu, H. | 登録日 | 2013-09-24 | 公開日 | 2013-11-20 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | The multiple nucleotide-divalent cation binding modes of Saccharomyces cerevisiae CK2 alpha indicate a possible co-substrate hydrolysis product (ADP/GDP) release pathway. Acta Crystallogr.,Sect.D, 70, 2014
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6BRC
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![BU of 6brc by Molmil](/molmil-images/mine/6brc) | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) | 分子名称: | 5-chloro-N~2~-{4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl}-N~4~-[2-(dimethylphosphoryl)phenyl]pyrimidine-2,4-diamine, Calcium/calmodulin-dependent protein kinase kinase 2, SODIUM ION | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-11-30 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal Structure of the Human CAMKK2B in complex with AP26113-analog (ALK-IN-1) To Be Published
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4MXF
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6ML6
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![BU of 6ml6 by Molmil](/molmil-images/mine/6ml6) | ZBTB24 Zinc Fingers 4-8 with 19+1mer DNA Oligonucleotide (Sequence 4 with a CpA 5mC Modification) | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*CP*GP*(5CM)P*AP*GP*GP*TP*CP*CP*TP*GP*GP*AP*CP*GP*AP*AP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*TP*TP*CP*GP*TP*CP*CP*AP*GP*GP*AP*CP*CP*TP*GP*CP*G)-3'), ... | 著者 | Horton, J.R, Cheng, X, Ren, R. | 登録日 | 2018-09-26 | 公開日 | 2019-07-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structural basis of specific DNA binding by the transcription factor ZBTB24. Nucleic Acids Res., 47, 2019
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6BKU
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![BU of 6bku by Molmil](/molmil-images/mine/6bku) | Crystal Structure of the Human CAMKK2B bound to GSK650394 | 分子名称: | 2-cyclopentyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, FORMIC ACID | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Ramos, P.Z, Drewry, D, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-11-09 | 公開日 | 2017-11-29 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of the Human CAMKK2B bound to GSK650394 To Be Published
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6MIG
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6BRU
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![BU of 6bru by Molmil](/molmil-images/mine/6bru) | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor | 分子名称: | (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7,8-trimethyl-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, SULFATE ION, ... | 著者 | Counago, R.M, dos Reis, C.V, de Souza, G.P, Aquino, B, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | 登録日 | 2017-12-01 | 公開日 | 2017-12-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of the Human vaccinia-related kinase bound to a (S)-2-phenylaminopteridinone inhibitor To Be Published
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6IF9
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6INS
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![BU of 6ins by Molmil](/molmil-images/mine/6ins) | X-RAY ANALYSIS OF THE SINGLE CHAIN B29-A1 PEPTIDE-LINKED INSULIN MOLECULE. A COMPLETELY INACTIVE ANALOGUE | 分子名称: | INSULIN, ZINC ION | 著者 | Derewenda, U, Derewenda, Z, Dodson, E.J, Dodson, G.G, Bing, X, Markussen, J. | 登録日 | 1992-11-25 | 公開日 | 1994-01-31 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | X-ray analysis of the single chain B29-A1 peptide-linked insulin molecule. A completely inactive analogue. J.Mol.Biol., 220, 1991
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6BQM
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![BU of 6bqm by Molmil](/molmil-images/mine/6bqm) | Secreted serine protease VesC from Vibrio cholerae | 分子名称: | serine protease VesC | 著者 | Park, Y.J, Korotkov, K.V, Delarosa, J.R, Turley, S, DiMaio, F, Hol, W.G.J. | 登録日 | 2017-11-28 | 公開日 | 2018-11-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Suppressor Mutations in Type II Secretion Mutants of Vibrio cholerae: Inactivation of the VesC Protease. Msphere, 5, 2020
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6BR5
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![BU of 6br5 by Molmil](/molmil-images/mine/6br5) | N2 neuraminidase in complex with a novel antiviral compound | 分子名称: | (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 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 | Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M. | 登録日 | 2017-11-30 | 公開日 | 2018-03-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.0379076 Å) | 主引用文献 | A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity. ChemMedChem, 13, 2018
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4QMS
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![BU of 4qms by Molmil](/molmil-images/mine/4qms) | MST3 in complex with DASATINIB | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, ... | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-16 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.883 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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6BYV
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![BU of 6byv by Molmil](/molmil-images/mine/6byv) | Solution NMR structure of cysteine-rich calcium bound domains of very low density lipoprotein receptor | 分子名称: | CALCIUM ION, Very low-density lipoprotein receptor | 著者 | Banerjee, K, Gruschus, J.M, Tjandra, N, Yakovlev, S, Medved, L. | 登録日 | 2017-12-21 | 公開日 | 2018-07-18 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Nuclear Magnetic Resonance Solution Structure of the Recombinant Fragment Containing Three Fibrin-Binding Cysteine-Rich Domains of the Very Low Density Lipoprotein Receptor. Biochemistry, 57, 2018
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6BSK
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![BU of 6bsk by Molmil](/molmil-images/mine/6bsk) | Human PIM1 kinase in complex with compound 12b | 分子名称: | 1,2-ETHANEDIOL, 4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid, SULFATE ION, ... | 著者 | Ferguson, A.D. | 登録日 | 2017-12-03 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.573 Å) | 主引用文献 | Discovery of 2,6-disubstituted pyrazine derivatives as inhibitors of CK2 and PIM kinases. Bioorg. Med. Chem. Lett., 28, 2018
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6C0U
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![BU of 6c0u by Molmil](/molmil-images/mine/6c0u) | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | 分子名称: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ... | 著者 | Qin, L, Sankaran, B, Kim, C. | 登録日 | 2018-01-02 | 公開日 | 2018-05-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46. J. Biol. Chem., 293, 2018
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4QO9
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![BU of 4qo9 by Molmil](/molmil-images/mine/4qo9) | MST3 IN COMPLEX WITH Danusertib | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | 登録日 | 2014-06-19 | 公開日 | 2015-07-29 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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6C13
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![BU of 6c13 by Molmil](/molmil-images/mine/6c13) | CryoEM structure of mouse PCDH15-4EC-LHFPL5 complex | 分子名称: | Protocadherin-15, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | 著者 | Gouaux, E, Ge, J, Elferich, J. | 登録日 | 2018-01-03 | 公開日 | 2018-08-15 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (11.33 Å) | 主引用文献 | Structure of mouse protocadherin 15 of the stereocilia tip link in complex with LHFPL5. Elife, 7, 2018
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4Q7X
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![BU of 4q7x by Molmil](/molmil-images/mine/4q7x) | Neutrophil serine protease 4 (PRSS57) apo form 1 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Serine protease 57, ... | 著者 | Eigenbrot, C, Lin, S.J, Dong, K.C. | 登録日 | 2014-04-25 | 公開日 | 2014-09-03 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease. Structure, 22, 2014
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