3ZMJ
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![BU of 3zmj by Molmil](/molmil-images/mine/3zmj) | Structure of E.coli rhomboid protease GlpG in complex with monobactam L61 | 分子名称: | 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate, CHLORIDE ION, RHOMBOID PROTEASE GLPG, ... | 著者 | Vinothkumar, K.R, Pierrat, O, Large, J.M, Freeman, M. | 登録日 | 2013-02-11 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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5QCV
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![BU of 5qcv by Molmil](/molmil-images/mine/5qcv) | Crystal structure of BACE complex with BMC023 | 分子名称: | (10S,13S)-13-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-9,10-dimethyl-2-oxa-9,12-diazabicyclo[13.3.1]nonadeca-1(19),15,17-triene-8,11-dione, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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3ZED
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![BU of 3zed by Molmil](/molmil-images/mine/3zed) | X-ray structure of the birnavirus VP1-VP3 complex | 分子名称: | CAPSID PROTEIN VP3, GLYCEROL, POTASSIUM ION, ... | 著者 | Bahar, M.W, Sarin, L.P, Graham, S.C, Pang, J, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2012-12-04 | 公開日 | 2013-01-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of a Vp1-Vp3 Complex Suggests How Birnaviruses Package the Vp1 Polymerase. J.Virol., 87, 2013
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3ZHC
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![BU of 3zhc by Molmil](/molmil-images/mine/3zhc) | Structure of the phytase from Citrobacter braakii at 2.3 angstrom resolution. | 分子名称: | CHLORIDE ION, FORMIC ACID, PHYTASE | 著者 | Wilson, K.S, Ariza, A, Sanchez-Romero, I, Skjot, M, Vind, J, DeMaria, L, Skov, L.K, Sanchez-Ruiz, J.M. | 登録日 | 2012-12-20 | 公開日 | 2013-08-28 | 最終更新日 | 2017-08-09 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Mechanism of Protein Kinetic Stabilization by Engineered Disulfide Crosslinks Plos One, 8, 2013
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5QD0
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![BU of 5qd0 by Molmil](/molmil-images/mine/5qd0) | Crystal structure of BACE complex withBMC006 | 分子名称: | (5S,8S,10R)-8-[(1R)-1-hydroxy-2-{[(5-propyl-1H-pyrazol-3-yl)methyl]amino}ethyl]-4,5,10-trimethyl-1-oxa-4,7-diazacyclohexadecane-3,6-dione, Beta-secretase 1 | 著者 | Rondeau, J.M, Shao, C, Yang, H, Burley, S.K. | 登録日 | 2017-12-01 | 公開日 | 2020-06-03 | 最終更新日 | 2021-02-10 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J.Comput.Aided Mol.Des., 34, 2020
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3ZMI
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![BU of 3zmi by Molmil](/molmil-images/mine/3zmi) | Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 | 分子名称: | RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | 著者 | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | 登録日 | 2013-02-11 | 公開日 | 2013-05-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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4A8F
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![BU of 4a8f by Molmil](/molmil-images/mine/4a8f) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*DAP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4A8O
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![BU of 4a8o by Molmil](/molmil-images/mine/4a8o) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4AA9
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![BU of 4aa9 by Molmil](/molmil-images/mine/4aa9) | Camel chymosin at 1.6A resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHYMOSIN, GLYCEROL, ... | 著者 | Langholm Jensen, J, Molgaard, A, Navarro Poulsen, J.C, van den Brink, J.M, Harboe, M, Simonsen, J.B, Qvist, K.B, Larsen, S. | 登録日 | 2011-11-30 | 公開日 | 2012-12-12 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Camel and Bovine Chymosin: The Relationship between Their Structures and Cheese-Making Properties. Acta Crystallogr.,Sect.D, 69, 2013
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4AM0
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![BU of 4am0 by Molmil](/molmil-images/mine/4am0) | Structure of Dengue virus strain 4 DIII in complex with Fab 2H12 | 分子名称: | ENVELOPE PROTEIN,, FAB 2H12, HEAVY CHAIN, ... | 著者 | Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R. | 登録日 | 2012-03-06 | 公開日 | 2012-06-06 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity. J.Immunol., 188, 2012
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4A8Y
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![BU of 4a8y by Molmil](/molmil-images/mine/4a8y) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*TP*TP*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4A8W
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![BU of 4a8w by Molmil](/molmil-images/mine/4a8w) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*TP*TP*CP*GP*CP*GP*TP*AP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4A6W
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![BU of 4a6w by Molmil](/molmil-images/mine/4a6w) | X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes | 分子名称: | 5-(2-chlorophenyl)-N-hydroxy-1,3-oxazole-2-carboxamide, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE | 著者 | Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I. | 登録日 | 2011-11-09 | 公開日 | 2012-06-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes. Chemmedchem, 7, 2012
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4A6V
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![BU of 4a6v by Molmil](/molmil-images/mine/4a6v) | X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes | 分子名称: | CARBONATE ION, MANGANESE (II) ION, METHIONINE AMINOPEPTIDASE, ... | 著者 | Huguet, F, Melet, A, AlvesdeSousa, R, Lieutaud, A, Chevalier, J, Deschamps, P, Tomas, A, Leulliot, N, Pages, J.M, Artaud, I. | 登録日 | 2011-11-09 | 公開日 | 2012-06-13 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Hydroxamic Acids as Potent Inhibitors of Fe(II) and Mn(II) E. Coli Methionine Aminopeptidase: Biological Activities and X-Ray Structures of Oxazole Hydroxamate-Ecmetap-Mn Complexes. Chemmedchem, 7, 2012
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4A8K
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![BU of 4a8k by Molmil](/molmil-images/mine/4a8k) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*AP*AP*TP*CP)-3', 5'-D(*TP*CP)-3', GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4A8M
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![BU of 4a8m by Molmil](/molmil-images/mine/4a8m) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*AP*AP*TP*CP)-3', ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4A8Q
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![BU of 4a8q by Molmil](/molmil-images/mine/4a8q) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*DTP*TP*CP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4AXY
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![BU of 4axy by Molmil](/molmil-images/mine/4axy) | A molecular basis for the action of the collagen-specific chaperone Hsp47-SERPINH1 and its structure-specific client recognition. | 分子名称: | COLLAGEN-LIKE PEPTIDE | 著者 | Widmer, C, Gebauer, J.M, Brunstein, E, Rosenbaum, S, Zaucke, F, Droegmueller, C, Leeb, T, Baumann, U. | 登録日 | 2012-06-15 | 公開日 | 2012-08-15 | 最終更新日 | 2015-10-28 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Molecular Basis for the Action of the Collagen-Specific Chaperone Hsp47/Serpinh1 and its Structure-Specific Client Recognition. Proc.Natl.Acad.Sci.USA, 109, 2012
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4ALA
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![BU of 4ala by Molmil](/molmil-images/mine/4ala) | Structure of Dengue virus DIII in complex with Fab 2H12 | 分子名称: | ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ... | 著者 | Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R. | 登録日 | 2012-03-02 | 公開日 | 2012-06-06 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity. J.Immunol., 188, 2012
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4AL8
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![BU of 4al8 by Molmil](/molmil-images/mine/4al8) | Structure of Dengue virus DIII in complex with Fab 2H12 | 分子名称: | ENVELOPE PROTEIN, FAB 2H12 HEAVY CHAIN, FAB 2H12 LIGHT CHAIN, ... | 著者 | Midgley, C.M, Flanagan, A, Mongkolsapaya, J, Grimes, J.M, Screaton, G.R. | 登録日 | 2012-03-02 | 公開日 | 2012-06-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Structural Analysis of a Dengue Cross-Reactive Antibody Complexed with Envelope Domain III Reveals the Molecular Basis of Cross-Reactivity. J.Immunol., 188, 2012
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4A8S
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![BU of 4a8s by Molmil](/molmil-images/mine/4a8s) | Non-Catalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial dsRNA virus phi6 from De Novo Initiation to Elongation | 分子名称: | 5'-D(*TP*TP*TP*TP*CP*GP*CP*GP*TP*AP*GP*CP*GP)-3', ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Wright, S, Poranen, M.M, Bamford, D.H, Stuart, D.I, Grimes, J.M. | 登録日 | 2011-11-21 | 公開日 | 2012-07-04 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Noncatalytic Ions Direct the RNA-Dependent RNA Polymerase of Bacterial Double-Stranded RNA Virus Phi6 from De Novo Initiation to Elongation. J.Virol., 86, 2012
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4AF3
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![BU of 4af3 by Molmil](/molmil-images/mine/4af3) | Human Aurora B Kinase in complex with INCENP and VX-680 | 分子名称: | AURORA KINASE B, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE, INNER CENTROMERE PROTEIN | 著者 | Elkins, J.M, Vollmar, M, Wang, J, Picaud, S, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Knapp, S. | 登録日 | 2012-01-16 | 公開日 | 2012-04-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680. J.Med.Chem., 55, 2012
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4AOT
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![BU of 4aot by Molmil](/molmil-images/mine/4aot) | Crystal Structure of Human Serine Threonine Kinase-10 (LOK) Bound to GW830263A | 分子名称: | 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase 10 | 著者 | Elkins, J.M, Salah, E, Szklarz, M, Canning, P, von Delft, F, Yue, W, Liu, Y, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | 登録日 | 2012-03-29 | 公開日 | 2012-04-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Crystal Structure of Human Serine Threonine Kinase-10 (Lok) Bound to Gw830263A To be Published
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4AN2
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![BU of 4an2 by Molmil](/molmil-images/mine/4an2) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | 登録日 | 2012-03-14 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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4ANB
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![BU of 4anb by Molmil](/molmil-images/mine/4anb) | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | 分子名称: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | 著者 | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | 登録日 | 2012-03-16 | 公開日 | 2012-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973) Acs Med.Chem.Lett., 3, 2012
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