6XBQ
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![BU of 6xbq by Molmil](/molmil-images/mine/6xbq) | Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA | 分子名称: | CARBOXYMETHYLDETHIA COENZYME *A, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | 著者 | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | 登録日 | 2020-06-07 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Streptomyces coelicolor methylmalonyl-CoA epimerase in complex with carboxy-carba(dethia)-CoA To Be Published
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6XBT
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![BU of 6xbt by Molmil](/molmil-images/mine/6xbt) | Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA | 分子名称: | COBALT (II) ION, COENZYME A, Methylmalonyl-CoA epimerase, ... | 著者 | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | 登録日 | 2020-06-07 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Streptomyces coelicolor methylmalonyl-CoA epimerase (Q60A) in complex with 2-nitronate-propionyl-CoA To Be Published
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6X7L
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![BU of 6x7l by Molmil](/molmil-images/mine/6x7l) | LnmK in complex with 2-nitronate-propionyl-CoA | 分子名称: | ALANINE, Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, ... | 著者 | Stunkard, L.M, Kick, B.J, Lohman, J.R. | 登録日 | 2020-05-30 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity. Biochemistry, 60, 2021
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6X7P
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![BU of 6x7p by Molmil](/molmil-images/mine/6x7p) | LnmK in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA | 分子名称: | (2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, (2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, Conserved hypthetical protein, ... | 著者 | Stunkard, L.M, Kick, B.J, Lohman, J.R. | 登録日 | 2020-05-30 | 公開日 | 2020-06-10 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity. Biochemistry, 60, 2021
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1BLS
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![BU of 1bls by Molmil](/molmil-images/mine/1bls) | |
6XBR
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![BU of 6xbr by Molmil](/molmil-images/mine/6xbr) | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA | 分子名称: | AMMONIUM ION, CHLORIDE ION, COBALT (II) ION, ... | 著者 | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | 登録日 | 2020-06-07 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Streptomyces coelicolor methylmalonyl-CoA epimerase (E43L) in complex with 2-nitronate-propionyl-CoA To Be Published
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6XBV
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![BU of 6xbv by Molmil](/molmil-images/mine/6xbv) | Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA | 分子名称: | CHLORIDE ION, COBALT (II) ION, Methylmalonyl-CoA epimerase, ... | 著者 | Stunkard, L.M, Boram, T.J, Benjamin, A.B, Bower, J.B, Lohman, J.R. | 登録日 | 2020-06-07 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Streptomyces coelicolor methylmalonyl-CoA epimerase (S115T) in complex with 2-nitronate-propionyl-CoA To Be Published
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5I6U
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![BU of 5i6u by Molmil](/molmil-images/mine/5i6u) | The crystal structure of PI3Kdelta with compound 32 | 分子名称: | 2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Somoza, J.R, Villasenor, A.G. | 登録日 | 2016-02-16 | 公開日 | 2017-02-22 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.842 Å) | 主引用文献 | The crystal structure of PI3Kdelta with compound 32 To Be Published
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6XZG
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![BU of 6xzg by Molmil](/molmil-images/mine/6xzg) | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 3 | 分子名称: | Influenza viral RNA (vRNA) promoter 47mer, LRRcap domain-containing protein, Polymerase acidic protein, ... | 著者 | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | 登録日 | 2020-02-04 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Host ANP32A mediates the assembly of the influenza virus replicase. Nature, 587, 2020
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1UVQ
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![BU of 1uvq by Molmil](/molmil-images/mine/1uvq) | Crystal structure of HLA-DQ0602 in complex with a hypocretin peptide | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, GLYCINE, ... | 著者 | Siebold, C, Hansen, B.E, Wyer, J.R, Harlos, K, Esnouf, R.E, Svejgaard, A, Bell, J.I, Strominger, J.L, Jones, E.Y, Fugger, L. | 登録日 | 2004-01-22 | 公開日 | 2004-02-05 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of Hla-Dq0602 that Protects Against Type 1 Diabetes and Confers Strong Susceptibility to Narcolepsy Proc.Natl.Acad.Sci.USA, 101, 2004
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6X7Q
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![BU of 6x7q by Molmil](/molmil-images/mine/6x7q) | Chloramphenicol acetyltransferase type III in complex with chloramphenicol and acetyl-oxa(dethia)-CoA | 分子名称: | CHLORAMPHENICOL, Chloramphenicol acetyltransferase 3, DI(HYDROXYETHYL)ETHER, ... | 著者 | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | 登録日 | 2020-05-30 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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6X7R
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![BU of 6x7r by Molmil](/molmil-images/mine/6x7r) | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with oxa(dethia)-coenzyme A | 分子名称: | 3-oxoacyl-[acyl-carrier-protein] synthase 3, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Benjamin, A.B, Stunkard, L.M, Ling, J, Nice, J.N, Lohman, J.R. | 登録日 | 2020-05-30 | 公開日 | 2021-06-02 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structures of chloramphenicol acetyltransferase III and Escherichia coli beta-keto-acylsynthase III co-crystallized with partially hydrolysed acetyl-oxa(de-thia)CoA Acta Crystallogr.,Sect.F, 2023
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6X9I
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![BU of 6x9i by Molmil](/molmil-images/mine/6x9i) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | 著者 | Pathuri, S, Horton, J.R, Cheng, X. | 登録日 | 2020-06-02 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9K
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![BU of 6x9k by Molmil](/molmil-images/mine/6x9k) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3685032A | 分子名称: | (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), ... | 著者 | Pathuri, S, Horton, J.R, Cheng, X. | 登録日 | 2020-06-02 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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6X9J
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![BU of 6x9j by Molmil](/molmil-images/mine/6x9j) | Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830052 | 分子名称: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*AP*GP*GP*CP*(5CM)P*GP*CP*CP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*GP*G)-R(P*(PYO))-D(P*GP*GP*CP*CP*TP*C)-3'), ... | 著者 | Pathuri, S, Horton, J.R, Cheng, X. | 登録日 | 2020-06-02 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer, 2, 2021
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1QNY
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![BU of 1qny by Molmil](/molmil-images/mine/1qny) | X-ray refinement of D2O soaked crystal of concanavalin A | 分子名称: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION | 著者 | Habash, J, Raftery, J, Nuttall, R, Price, H.J, Lehmann, M.S, Wilkinson, C, Kalb(Gilboa), A.J, Helliwell, J.R. | 登録日 | 1999-10-26 | 公開日 | 2000-04-30 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Direct Determination of the Positions of Deuterium Atoms of Bound Water in Concanavalin a by Neutron Laue Crystallography Acta Crystallogr.,Sect.D, 56, 2000
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3QCQ
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![BU of 3qcq by Molmil](/molmil-images/mine/3qcq) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-(3-Amino-1H-indazol-6-yl)-N4-ethyl-2,4-pyrimidinediamine | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-(3-amino-2H-indazol-6-yl)-N~4~-ethylpyrimidine-2,4-diamine, GLYCEROL, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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6X63
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![BU of 6x63 by Molmil](/molmil-images/mine/6x63) | Atomic-Resolution Structure of HIV-1 Capsid Tubes by Magic Angle Spinning NMR | 分子名称: | HIV-1 capsid protein | 著者 | Lu, M, Russell, R.W, Bryer, A, Quinn, C.M, Hou, G, Zhang, H, Schwieters, C.D, Perilla, J.R, Gronenborn, A.M, Polenova, T. | 登録日 | 2020-05-27 | 公開日 | 2020-09-02 | 最終更新日 | 2024-05-15 | 実験手法 | SOLID-STATE NMR | 主引用文献 | Atomic-resolution structure of HIV-1 capsid tubes by magic-angle spinning NMR. Nat.Struct.Mol.Biol., 27, 2020
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3QCY
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![BU of 3qcy by Molmil](/molmil-images/mine/3qcy) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 4-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-N-phenyl-2-morpholinecarboxamide | 分子名称: | (2S)-4-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-N-phenylmorpholine-2-carboxamide, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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1DVD
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![BU of 1dvd by Molmil](/molmil-images/mine/1dvd) | SOLUTION NMR STRUCTURE OF HUMAN STEFIN A AT PH 5.5 AND 308K, NMR, 17 STRUCTURES | 分子名称: | STEFIN A | 著者 | Martin, J.R, Craven, C.J, Jerala, R, Kroon-Zitko, L, Zerovnik, E, Turk, V, Waltho, J.P. | 登録日 | 1996-02-26 | 公開日 | 1996-08-01 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | The three-dimensional solution structure of human stefin A. J.Mol.Biol., 246, 1995
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3QCX
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![BU of 3qcx by Molmil](/molmil-images/mine/3qcx) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 6-{2-Amino-6-[(3R)-3-methyl-4-morpholinyl]-4-pyrimidinyl}-1H-indazol-3-amine | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 6-{2-amino-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl}-2H-indazol-3-amine, GLYCEROL, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2011-11-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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6XZR
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![BU of 6xzr by Molmil](/molmil-images/mine/6xzr) | Influenza C virus polymerase in complex with chicken ANP32A - Subclass 1 | 分子名称: | LRRcap domain-containing protein, Polymerase acidic protein, Polymerase basic protein 2, ... | 著者 | Carrique, L, Keown, J.R, Fan, H, Grimes, J.M, Fodor, E. | 登録日 | 2020-02-05 | 公開日 | 2020-11-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Host ANP32A mediates the assembly of the influenza virus replicase. Nature, 587, 2020
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3QD3
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![BU of 3qd3 by Molmil](/molmil-images/mine/3qd3) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl {(3R,6S)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-3-piperidinyl}carbamate | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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1DQU
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![BU of 1dqu by Molmil](/molmil-images/mine/1dqu) | CRYSTAL STRUCTURE OF THE ISOCITRATE LYASE FROM ASPERGILLUS NIDULANS | 分子名称: | ISOCITRATE LYASE | 著者 | Britton, K.L, Langridge, S.J, Baker, P.J, Weeradechapon, K, Sedelnikova, S.E, De Lucas, J.R, Rice, D.W, Turner, G. | 登録日 | 2000-01-05 | 公開日 | 2000-05-10 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The crystal structure and active site location of isocitrate lyase from the fungus Aspergillus nidulans. Structure Fold.Des., 8, 2000
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3QD4
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![BU of 3qd4 by Molmil](/molmil-images/mine/3qd4) | Phosphoinositide-Dependent Kinase-1 (PDK1) kinase domain with 1,1-Dimethylethyl{(3R,5R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-5-methyl-3-piperidinyl}carbamate | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, SULFATE ION, tert-butyl {(3R,5R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-5-methylpiperidin-3-yl}carbamate | 著者 | Medina, J.R, Becker, C.J, Blackledge, C.W, Duquenne, C, Feng, Y, Grant, S.W, Heerding, D, Li, W.H, Miller, W.H, Romeril, S.P, Scherzer, D, Shu, A, Bobko, M.A, Chadderton, A.R, Dumble, M, Gradiner, C.M, Gilbert, S, Liu, Q, Rabindran, S.K, Sudakin, V, Xiang, H, Brady, P.G, Campobasso, N, Ward, P, Axten, J.M. | 登録日 | 2011-01-17 | 公開日 | 2011-03-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structure-Based Design of Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 (PDK1) Inhibitors. J.Med.Chem., 54, 2011
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