6AVS
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![BU of 6avs by Molmil](/molmil-images/mine/6avs) | Complex structure of JMJD5 and Symmetric Monomethyl-Arginine (MMA) | 分子名称: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, Lysine-specific demethylase 8, ZINC ION | 著者 | Lee, S, Liu, H, Wang, Y, Dai, S, Zhang, G. | 登録日 | 2017-09-04 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Specific Recognition of Arginine Methylated Histone Tails by JMJD5 and JMJD7. Sci Rep, 8, 2018
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5UJU
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5UKD
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4YAT
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![BU of 4yat by Molmil](/molmil-images/mine/4yat) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) | 分子名称: | N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide, Transcription intermediary factor 1-alpha, ZINC ION | 著者 | Poncet-Montange, G, Palmer, W, Jones, P. | 登録日 | 2015-02-17 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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6AY6
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![BU of 6ay6 by Molmil](/molmil-images/mine/6ay6) | Naegleria fowleri CYP51-voriconazole complex | 分子名称: | CYP51, sterol 14alpha-demethylase, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Debnath, A, Calvet, C.M, Jennings, G, Zhou, W, Aksenov, A, Luth, M, Abagyan, R, Nes, W.D, McKerrow, J.H, Podust, L.M. | 登録日 | 2017-09-07 | 公開日 | 2017-11-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | CYP51 is an essential drug target for the treatment of primary amoebic meningoencephalitis (PAM). PLoS Negl Trop Dis, 11, 2017
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4YB8
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2P1Q
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![BU of 2p1q by Molmil](/molmil-images/mine/2p1q) | Mechanism of Auxin Perception by the TIR1 ubiquitin ligase | 分子名称: | 1H-INDOL-3-YLACETIC ACID, Auxin-responsive protein IAA7, INOSITOL HEXAKISPHOSPHATE, ... | 著者 | Tan, X, Calderon-Villalobos, L.I.A, Sharon, M, Robinson, C.V, Estelle, M, Zheng, N. | 登録日 | 2007-03-06 | 公開日 | 2007-04-10 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Mechanism of auxin perception by the TIR1 ubiquitin ligase. Nature, 446, 2007
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5UM2
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4YBT
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![BU of 4ybt by Molmil](/molmil-images/mine/4ybt) | Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l) | 分子名称: | DIMETHYL SULFOXIDE, N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide, Transcription intermediary factor 1-alpha, ... | 著者 | Poncet-Montange, G, Palmer, W, Jones, P. | 登録日 | 2015-02-19 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Structure-Guided Design of IACS-9571, a Selective High-Affinity Dual TRIM24-BRPF1 Bromodomain Inhibitor. J.Med.Chem., 59, 2016
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4YBI
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![BU of 4ybi by Molmil](/molmil-images/mine/4ybi) | Crystal structure of BACE with amino thiazine inhibitor LY2811376 | 分子名称: | (4S)-4-[2,4-difluoro-5-(pyrimidin-5-yl)phenyl]-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine, Beta-secretase 1, GLYCEROL | 著者 | Timm, D.E. | 登録日 | 2015-02-18 | 公開日 | 2015-04-01 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Robust central reduction of amyloid-beta in humans with an orally available, non-peptidic beta-secretase inhibitor. J.Neurosci., 31, 2011
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2P27
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![BU of 2p27 by Molmil](/molmil-images/mine/2p27) | Crystal Structure of Human Pyridoxal Phosphate Phosphatase with Mg2+ at 1.9 A resolution | 分子名称: | MAGNESIUM ION, Pyridoxal phosphate phosphatase | 著者 | Ramagopal, U.A, Freeman, J, Izuka, M, Toro, R, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | 登録日 | 2007-03-07 | 公開日 | 2007-03-13 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural genomics of protein phosphatases. J.Struct.Funct.Genom., 8, 2007
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4YC4
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![BU of 4yc4 by Molmil](/molmil-images/mine/4yc4) | Crystal structure of phosphatidyl inositol 4-kinase II alpha in complex with nucleotide analog | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Phosphatidylinositol 4-kinase type 2-alpha,Lysozyme,Phosphatidylinositol 4-kinase type 2-alpha, [(1S,3S,4S)-3-(6-amino-9H-purin-9-yl)bicyclo[2.2.1]hept-1-yl]methanol | 著者 | Klima, M, Boura, E. | 登録日 | 2015-02-19 | 公開日 | 2015-07-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | The high-resolution crystal structure of phosphatidylinositol 4-kinase II beta and the crystal structure of phosphatidylinositol 4-kinase II alpha containing a nucleoside analogue provide a structural basis for isoform-specific inhibitor design. Acta Crystallogr.,Sect.D, 71, 2015
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2P2L
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![BU of 2p2l by Molmil](/molmil-images/mine/2p2l) | Rac1-GDP-Zinc Complex | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Ras-related C3 botulinum toxin substrate 1, ZINC ION | 著者 | Prehna, G, Stebbins, C.E. | 登録日 | 2007-03-07 | 公開日 | 2007-05-01 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | A Rac1-GDP trimer complex binds zinc with tetrahedral and octahedral coordination, displacing magnesium. Acta Crystallogr.,Sect.D, 63, 2007
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4YCD
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4YCO
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![BU of 4yco by Molmil](/molmil-images/mine/4yco) | E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe | 分子名称: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, MANGANESE (II) ION, ... | 著者 | Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A. | 登録日 | 2015-02-20 | 公開日 | 2015-04-22 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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5UO1
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![BU of 5uo1 by Molmil](/molmil-images/mine/5uo1) | Structure of human neuronal nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | 分子名称: | 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-01-31 | 公開日 | 2017-05-03 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors. J. Med. Chem., 60, 2017
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6AMP
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![BU of 6amp by Molmil](/molmil-images/mine/6amp) | Crystal structure of H172A PHM (CuH absent, CuM present) | 分子名称: | COPPER (II) ION, Peptidyl-glycine alpha-amidating monooxygenase | 著者 | Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. | 登録日 | 2017-08-10 | 公開日 | 2018-07-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
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4Y10
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![BU of 4y10 by Molmil](/molmil-images/mine/4y10) | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid | 分子名称: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | 著者 | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | 登録日 | 2015-02-06 | 公開日 | 2015-06-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | 主引用文献 | Fluorine teams up with water to restore inhibitor activity to mutant BPTI. Chem Sci, 6, 2015
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6BFQ
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![BU of 6bfq by Molmil](/molmil-images/mine/6bfq) | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies | 分子名称: | Fab Heavy chain, Fab Light Chain, Granulocyte-macrophage colony-stimulating factor | 著者 | Dhagat, U, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | 登録日 | 2017-10-26 | 公開日 | 2018-09-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The mechanism of GM-CSF inhibition by human GM-CSF auto-antibodies suggests novel therapeutic opportunities. MAbs, 10, 2018
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4Y17
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![BU of 4y17 by Molmil](/molmil-images/mine/4y17) | SdiA in complex with 3-oxo-C8-homoserine lactone | 分子名称: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, Transcriptional regulator of ftsQAZ gene cluster | 著者 | Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. | 登録日 | 2015-02-06 | 公開日 | 2015-04-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
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6AN8
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![BU of 6an8 by Molmil](/molmil-images/mine/6an8) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 8.0 | 分子名称: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA PRIMER (5'- D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*GP)-3'), DNA TEMPLATE (5'- D(*AP*TP*GP*AP*AP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), ... | 著者 | Martinez, S.E, Das, K, Arnold, E. | 登録日 | 2017-08-12 | 公開日 | 2018-08-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.596 Å) | 主引用文献 | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes. Protein Sci., 28, 2019
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5V5S
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![BU of 5v5s by Molmil](/molmil-images/mine/5v5s) | multi-drug efflux; membrane transport; RND superfamily; Drug resistance | 分子名称: | Multidrug efflux pump subunit AcrA, Multidrug efflux pump subunit AcrB, Outer membrane protein TolC | 著者 | wang, Z, fan, G, Hryc, C.F, Blaza, J.N, Serysheva, I.I, Schmid, M.F, Chiu, W, Luisi, B.F, Du, D. | 登録日 | 2017-03-15 | 公開日 | 2017-04-19 | 最終更新日 | 2019-10-23 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | An allosteric transport mechanism for the AcrAB-TolC Multidrug Efflux Pump. Elife, 6, 2017
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4Y2S
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2P0Y
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![BU of 2p0y by Molmil](/molmil-images/mine/2p0y) | Crystal structure of Q88YI3_LACPL from Lactobacillus plantarum. Northeast Structural Genomics Consortium target LpR6 | 分子名称: | Hypothetical protein lp_0780 | 著者 | Benach, J, Chen, Y, Seetharaman, J, Chi, K.H, Janjua, H, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2007-03-01 | 公開日 | 2007-03-27 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of Q88YI3_LACPL from Lactobacillus plantarum. To be Published
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4Y08
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![BU of 4y08 by Molmil](/molmil-images/mine/4y08) | ONE MINUTE IRON LOADED HUMAN H FERRITIN | 分子名称: | CHLORIDE ION, FE (II) ION, Ferritin heavy chain, ... | 著者 | Pozzi, C, Di Pisa, F, Mangani, S. | 登録日 | 2015-02-05 | 公開日 | 2015-09-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Iron binding to human heavy-chain ferritin. Acta Crystallogr.,Sect.D, 71, 2015
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