2XBA
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![BU of 2xba by Molmil](/molmil-images/mine/2xba) | Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 | 分子名称: | 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium, ALK TYROSINE KINASE RECEPTOR | 著者 | Bossi, R.T, Saccardo, M.B, Ardini, E, Menichincheri, M, Rusconi, L, Magnaghi, P, Orsini, P, Fogliatto, G, Bertrand, J.A. | 登録日 | 2010-04-08 | 公開日 | 2010-07-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structures of Anaplastic Lymphoma Kinase in Complex with ATP Competitive Inhibitors. Biochemistry, 49, 2010
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2XCF
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![BU of 2xcf by Molmil](/molmil-images/mine/2xcf) | Crystal structure of HCV NS3 protease with a boronate inhibitor | 分子名称: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | 著者 | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | 登録日 | 2010-04-22 | 公開日 | 2010-06-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | 主引用文献 | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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192D
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![BU of 192d by Molmil](/molmil-images/mine/192d) | RECOMBINATION-LIKE STRUCTURE OF D(CCGCGG) | 分子名称: | DNA (5'-D(*CP*CP*GP*CP*GP*G)-3'), SODIUM ION | 著者 | Malinina, L, Urpi, L, Salas, X, Huynh-Dinh, T, Subirana, J.A. | 登録日 | 1994-09-22 | 公開日 | 1995-02-07 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Recombination-like structure of d(CCGCGG). J.Mol.Biol., 243, 1994
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4C98
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4CAE
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![BU of 4cae by Molmil](/molmil-images/mine/4cae) | Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 20b) | 分子名称: | 2-oxopentadecyl-CoA, 4-[(2-{5-[(3-METHOXYPHENYL)METHYL]-1,3,4-OXADIAZOL-2-YL}-1-BENZOTHIOPHEN-3-YL)OXY]PIPERIDINE, CHLORIDE ION, ... | 著者 | Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2013-10-08 | 公開日 | 2014-04-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp). J.Med.Chem., 57, 2014
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1Q41
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![BU of 1q41 by Molmil](/molmil-images/mine/1q41) | GSK-3 Beta complexed with Indirubin-3'-monoxime | 分子名称: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME, GLYCOGEN SYNTHASE KINASE-3 BETA | 著者 | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | 登録日 | 2003-08-01 | 公開日 | 2003-10-21 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Characterization of the Gsk-3Beta Active Site Using Selective and Non-selective ATP-Mimetic Inhibitors J.Mol.Biol., 333, 2003
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1Y5Y
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![BU of 1y5y by Molmil](/molmil-images/mine/1y5y) | Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1 | 分子名称: | CALCIUM ION, Formaldehyde-activating enzyme fae, SODIUM ION | 著者 | Acharya, P, Goenrich, M, Hagemeier, C.H, Demmer, U, Vorholt, J.A, Thauer, R.K, Ermler, U. | 登録日 | 2004-12-03 | 公開日 | 2005-01-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | How an enzyme binds the C1-carrier tetrahydromethanopterin: Structure of the tetrahydromethanopterin dependent formaldehyde-activating enzyme (Fae) from Methylobacterium extorquens AM1 J.Biol.Chem., 280, 2005
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2XIC
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![BU of 2xic by Molmil](/molmil-images/mine/2xic) | Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (ESRF data) | 分子名称: | ANCILLARY PROTEIN 1 | 著者 | Pointon, J.A, Smith, W.D, Saalbach, G, Crow, A, Kehoe, M.A, Banfield, M.J. | 登録日 | 2010-06-28 | 公開日 | 2010-08-04 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A Highly Unusual Thioester Bond in a Pilus Adhesin is Required for Efficient Host Cell Interaction J.Biol.Chem., 285, 2010
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2XCL
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4CFO
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![BU of 4cfo by Molmil](/molmil-images/mine/4cfo) | Structure of Lytic Transglycosylase MltC from Escherichia coli in complex with tetrasaccharide at 2.9 A resolution. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside, MLTC | 著者 | Artola-Recolons, C, Bernardo-Garcia, N, Mobashery, S, Hermoso, J.A. | 登録日 | 2013-11-19 | 公開日 | 2014-07-23 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure and Cell Wall Cleavage by Modular Lytic Transglycosylase Mltc of Escherichia Coli. Acs Chem.Biol., 9, 2014
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2XM3
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![BU of 2xm3 by Molmil](/molmil-images/mine/2xm3) | Deinococcus radiodurans ISDra2 Transposase Left end DNA complex | 分子名称: | 5'-D(*TP*TP*AP*GP*T)-3', ACETATE ION, DRA2 TRANSPOSASE BINDING ELEMENT, ... | 著者 | Hickman, A.B, James, J.A, Barabas, O, Pasternak, C, Ton-Hoang, B, Chandler, M, Sommer, S, Dyda, F. | 登録日 | 2010-07-22 | 公開日 | 2010-10-13 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | DNA Recognition and the Precleavage State During Single-Stranded DNA Transposition in D. Radiodurans. Embo J., 29, 2010
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4CF4
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1PRM
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![BU of 1prm by Molmil](/molmil-images/mine/1prm) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | 分子名称: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | 著者 | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | 登録日 | 1994-10-10 | 公開日 | 1995-02-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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1PRL
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![BU of 1prl by Molmil](/molmil-images/mine/1prl) | TWO BINDING ORIENTATIONS FOR PEPTIDES TO SRC SH3 DOMAIN: DEVELOPMENT OF A GENERAL MODEL FOR SH3-LIGAND INTERACTIONS | 分子名称: | C-SRC TYROSINE KINASE SH3 DOMAIN, PROLINE-RICH LIGAND PLR1 (AFAPPLPRR) | 著者 | Feng, S, Chen, J.K, Yu, H, Simon, J.A, Schreiber, S.L. | 登録日 | 1994-10-10 | 公開日 | 1995-02-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Two binding orientations for peptides to the Src SH3 domain: development of a general model for SH3-ligand interactions. Science, 266, 1994
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4BXD
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2UUK
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![BU of 2uuk by Molmil](/molmil-images/mine/2uuk) | Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution | 分子名称: | CALCIUM ION, HIRUDIN I, HUMAN ALPHA THROMBIN, ... | 著者 | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | 登録日 | 2007-03-03 | 公開日 | 2007-09-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | The Determination of Protonation States in Proteins. Acta Crystallogr.,Sect.D, 63, 2007
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1YI0
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![BU of 1yi0 by Molmil](/molmil-images/mine/1yi0) | Crystal structure of Arabidopsis thaliana Acetohydroxyacid synthase In Complex With A Sulfonylurea Herbicide, Sulfometuron methyl | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ETHYL DIHYDROGEN DIPHOSPHATE, ... | 著者 | McCourt, J.A, Pang, S.S, King-Scott, J, Guddat, L.W, Duggleby, R.G. | 登録日 | 2005-01-10 | 公開日 | 2006-01-17 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1DGB
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![BU of 1dgb by Molmil](/molmil-images/mine/1dgb) | HUMAN ERYTHROCYTE CATALASE | 分子名称: | CATALASE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | 登録日 | 1999-11-23 | 公開日 | 2000-02-11 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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4BXJ
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2UWL
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![BU of 2uwl by Molmil](/molmil-images/mine/2uwl) | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa | 分子名称: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHENESULFONAMIDE, COAGULATION FACTOR X | 著者 | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P. | 登録日 | 2007-03-22 | 公開日 | 2007-04-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa. Bioorg.Med.Chem.Lett., 17, 2007
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4CAJ
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![BU of 4caj by Molmil](/molmil-images/mine/4caj) | Crystallographic structure of the mouse SIGN-R1 CRD domain in complex with sialic acid | 分子名称: | CALCIUM ION, CD209 ANTIGEN-LIKE PROTEIN B, CHLORIDE ION, ... | 著者 | Silva-Martin, N, Bartual, S.G, Hermoso, J.A. | 登録日 | 2013-10-08 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.191 Å) | 主引用文献 | Structural Basis for Selective Recognition of Endogenous and Microbial Polysaccharides by Macrophage Receptor Sign-R1 Structure, 22, 2014
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1PJR
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4BPA
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![BU of 4bpa by Molmil](/molmil-images/mine/4bpa) | Crystal structure of AmpDh2 from Pseudomonas aeruginosa in complex with NAG-NAM-NAG-NAM tetrasaccharide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, AMPDH2, ZINC ION | 著者 | Artola-Recolons, C, Martinez-Caballero, S, Lee, M, Carrasco-Lopez, C, Hesek, D, Spink, E, Lastochkin, E, Zhang, W, Hellman, L, Boggess, B, Mobashery, S, Hermoso, J.A. | 登録日 | 2013-05-23 | 公開日 | 2013-07-17 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Reaction Products and the X-Ray Structure of Ampdh2, a Virulence Determinant of Pseudomonas Aeruginosa. J.Am.Chem.Soc., 135, 2013
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4CAF
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![BU of 4caf by Molmil](/molmil-images/mine/4caf) | Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a) | 分子名称: | 2-oxopentadecyl-CoA, 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine, AMMONIUM ION, ... | 著者 | Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | 登録日 | 2013-10-08 | 公開日 | 2014-04-02 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp). J.Med.Chem., 57, 2014
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1PY2
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![BU of 1py2 by Molmil](/molmil-images/mine/1py2) | Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2 | 分子名称: | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION | 著者 | Thanos, C.D, Randal, M, Wells, J.A. | 登録日 | 2003-07-07 | 公開日 | 2004-01-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Potent small-molecule binding to a dynamic hot spot on IL-2. J.Am.Chem.Soc., 125, 2003
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