3RDJ
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![BU of 3rdj by Molmil](/molmil-images/mine/3rdj) | Rat PKC C2 domain Apo | 分子名称: | Protein kinase C alpha type | 著者 | Li, P. | 登録日 | 2011-04-01 | 公開日 | 2011-09-07 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Pb2+ as modulator of protein-membrane interactions. J.Am.Chem.Soc., 133, 2011
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3K80
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![BU of 3k80 by Molmil](/molmil-images/mine/3k80) | Structure of essential protein from Trypanosoma brucei | 分子名称: | Antibody, MP18 RNA editing complex protein | 著者 | Wu, M. | 登録日 | 2009-10-13 | 公開日 | 2010-11-17 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structures of a key interaction protein from the Trypanosoma brucei editosome in complex with single domain antibodies. J.Struct.Biol., 174, 2011
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6JSE
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![BU of 6jse by Molmil](/molmil-images/mine/6jse) | Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | 著者 | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | 登録日 | 2019-04-08 | 公開日 | 2019-08-28 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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3JPP
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![BU of 3jpp by Molmil](/molmil-images/mine/3jpp) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate | 分子名称: | 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | 著者 | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | 登録日 | 2009-09-04 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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4GXK
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![BU of 4gxk by Molmil](/molmil-images/mine/4gxk) | R283K DNA polymerase beta ternary complex with a templating 8OG and incoming dATP analog | 分子名称: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(8OG)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | 著者 | Freudenthal, B.D, Beard, W.A, Wilson, S.H. | 登録日 | 2012-09-04 | 公開日 | 2013-01-16 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | DNA polymerase minor groove interactions modulate mutagenic bypass of a templating 8-oxoguanine lesion. Nucleic Acids Res., 41, 2013
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3JPT
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![BU of 3jpt by Molmil](/molmil-images/mine/3jpt) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro chloro methylene triphosphate | 分子名称: | 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | 著者 | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | 登録日 | 2009-09-04 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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3K4E
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![BU of 3k4e by Molmil](/molmil-images/mine/3k4e) | Puf3 RNA binding domain bound to Cox17 RNA 3' UTR recognition sequence site A | 分子名称: | RNA (5'-R(P*CP*UP*UP*GP*UP*AP*UP*AP*UP*A)-3'), mRNA-binding protein PUF3 | 著者 | Zhu, D, Stumpf, C.R, Krahn, J.M, Wickens, M, Hall, T.M.T. | 登録日 | 2009-10-05 | 公開日 | 2009-10-27 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | A 5' cytosine binding pocket in Puf3p specifies regulation of mitochondrial mRNAs. Proc.Natl.Acad.Sci.USA, 106, 2009
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6XJK
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![BU of 6xjk by Molmil](/molmil-images/mine/6xjk) | JAK2 JH2 in complex with JAK067 | 分子名称: | 4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide, Tyrosine-protein kinase JAK2 | 著者 | Puleo, D.E, Krimmer, S.G, Newton, A.S, Schlessinger, J, Jorgensen, W.L. | 登録日 | 2020-06-24 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.023508 Å) | 主引用文献 | Explicit Representation of Cation-pi Interactions in Force Fields with 1/r4 Nonbonded Terms. J Chem Theory Comput, 16, 2020
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5M44
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![BU of 5m44 by Molmil](/molmil-images/mine/5m44) | Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions | 分子名称: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | 登録日 | 2016-10-18 | 公開日 | 2017-01-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | 主引用文献 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor. Pharmaceuticals, 10, 2017
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6ILC
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![BU of 6ilc by Molmil](/molmil-images/mine/6ilc) | |
5LGX
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![BU of 5lgx by Molmil](/molmil-images/mine/5lgx) | |
6X70
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![BU of 6x70 by Molmil](/molmil-images/mine/6x70) | Rev1-DNA Binary Complex | 分子名称: | DNA (5'-D(*CP*AP*TP*CP*GP*CP*TP*AP*CP*CP*AP*CP*AP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*TP*GP*TP*GP*GP*TP*AP*G)-3'), DNA repair protein REV1, ... | 著者 | Weaver, T.M, Freudenthal, B.D. | 登録日 | 2020-05-29 | 公開日 | 2020-09-30 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Visualizing Rev1 catalyze protein-template DNA synthesis. Proc.Natl.Acad.Sci.USA, 117, 2020
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6X77
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6XB2
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![BU of 6xb2 by Molmil](/molmil-images/mine/6xb2) | Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design | 分子名称: | 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Kneller, D.W, Kovalevsky, A, Coates, L. | 登録日 | 2020-06-05 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design. Iucrj, 7, 2020
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6HL4
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![BU of 6hl4 by Molmil](/molmil-images/mine/6hl4) | wild-type NuoEF from Aquifex aeolicus - reduced form | 分子名称: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | 登録日 | 2018-09-10 | 公開日 | 2019-06-26 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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5LIW
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![BU of 5liw by Molmil](/molmil-images/mine/5liw) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319 | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | 登録日 | 2016-07-15 | 公開日 | 2016-07-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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4H56
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![BU of 4h56 by Molmil](/molmil-images/mine/4h56) | Crystal structure of the Clostridium perfringens NetB toxin in the membrane inserted form | 分子名称: | Necrotic enteritis toxin B | 著者 | Savva, C.G, Fernandes da Costa, S.P, Bokori-Brown, M, Naylor, C, Cole, A.R, Moss, D.S, Titball, R.W, Basak, A.K. | 登録日 | 2012-09-18 | 公開日 | 2012-12-26 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (3.9 Å) | 主引用文献 | Molecular Architecture and Functional Analysis of NetB, a Pore-forming Toxin from Clostridium perfringens. J.Biol.Chem., 288, 2013
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4IOI
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![BU of 4ioi by Molmil](/molmil-images/mine/4ioi) | Meditope-enabled trastuzumab in complex with CQFDLSTRRLKC | 分子名称: | Immunoglobulin G-binding protein A, Protein L, Trastuzumab heavy chain, ... | 著者 | Bzymek, K.P, Zer, C, Avery, K.N, Williams, J.C. | 登録日 | 2013-01-07 | 公開日 | 2013-10-09 | 最終更新日 | 2013-11-06 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Identification and grafting of a unique peptide-binding site in the Fab framework of monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 110, 2013
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3JPN
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![BU of 3jpn by Molmil](/molmil-images/mine/3jpn) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-dichloro methylene triphosphate | 分子名称: | 2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | 著者 | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | 登録日 | 2009-09-04 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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5LZ3
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![BU of 5lz3 by Molmil](/molmil-images/mine/5lz3) | |
8E19
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![BU of 8e19 by Molmil](/molmil-images/mine/8e19) | Crystal structure of TnmK1 complexed with TNM H | 分子名称: | (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ... | 著者 | Liu, Y.-C, Gui, C, Shen, B. | 登録日 | 2022-08-10 | 公開日 | 2022-11-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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6XE7
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![BU of 6xe7 by Molmil](/molmil-images/mine/6xe7) | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | 登録日 | 2020-06-12 | 公開日 | 2020-12-02 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents. J.Med.Chem., 63, 2020
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3JPS
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![BU of 3jps by Molmil](/molmil-images/mine/3jps) | Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro methyl methylene triphosphate | 分子名称: | 2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ... | 著者 | Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E. | 登録日 | 2009-09-04 | 公開日 | 2010-06-02 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues. J.Am.Chem.Soc., 132, 2010
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8E4R
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![BU of 8e4r by Molmil](/molmil-images/mine/8e4r) | |
6XQT
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![BU of 6xqt by Molmil](/molmil-images/mine/6xqt) | Room-temperature X-ray Crystal structure of SARS-CoV-2 main protease in complex with Narlaprevir | 分子名称: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase | 著者 | Kneller, D.W, Kovalevsky, A, Coates, L. | 登録日 | 2020-07-10 | 公開日 | 2020-07-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Malleability of the SARS-CoV-2 3CL M pro Active-Site Cavity Facilitates Binding of Clinical Antivirals. Structure, 28, 2020
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