PDB: 45744 件ウェブページステータス検索Chemie searchBIRD

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3SV2	Human Thrombin In Complex With UBTHR105 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-4-ylmethyl)-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-07-12 公開日 2012-06-20 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
1DOJ	Crystal structure of human alpha-thrombin*RWJ-51438 complex at 1.7 A 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-THROMBIN, HIRUGEN, ... 著者 Recacha, R, Costanzo, M.J, Maryanoff, B.E, Carson, M, DeLucas, L, Chattopadhyay, D. 登録日 1999-12-21 公開日 2000-11-03 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of human alpha-thrombin complexed with RWJ-51438 at 1.7 A: unusual perturbation of the 60A-60I insertion loop. Acta Crystallogr.,Sect.D, 56, 2000
3SIT	Crystal structure of porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ... 著者 Blanchard, H, Yu, X. 登録日 2011-06-20 公開日 2011-09-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Novel structural insights into rotavirus recognition of ganglioside glycan receptors. J.Mol.Biol., 413, 2011
3S7K	Structure of thrombin mutant Y225P in the E form 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, POTASSIUM ION, Prothrombin 著者 Niu, W, Chen, Z, Gandhi, P, Vogt, A, Pozzi, N, Pele, L.A, Zapata, F, Di Cera, E. 登録日 2011-05-26 公開日 2011-07-06 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystallographic and Kinetic Evidence of Allostery in a Trypsin-like Protease. Biochemistry, 50, 2011
3SHC	Human Thrombin In Complex With UBTHR101 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloropyridin-2-yl)methyl]-L-prolinamide, Hirudin variant-2, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-06-16 公開日 2012-06-20 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
1E3Z	Acarbose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 1.93A 分子名称: 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-alpha-D-xylo-hexopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, ... 著者 Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. 登録日 2000-06-27 公開日 2001-06-21 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
3SIS	Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ... 著者 Blanchard, H, Yu, X. 登録日 2011-06-20 公開日 2011-09-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Novel structural insights into rotavirus recognition of ganglioside glycan receptors. J.Mol.Biol., 413, 2011
1E40	Tris/maltotriose complex of chimaeric amylase from B. amyloliquefaciens and B. licheniformis at 2.2A 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-AMYLASE, CALCIUM ION, ... 著者 Brzozowski, A.M, Lawson, D.M, Turkenburg, J.P, Bisgaard-Frantzen, H, Svendsen, A, Borchert, T.V, Dauter, Z, Wilson, K.S, Davies, G.J. 登録日 2000-06-27 公開日 2001-06-21 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Analysis of a Chimeric Bacterial Alpha-Amylase. High Resolution Analysis of Native and Ligand Complexes Biochemistry, 39, 2000
3TAY	Crystal structure of porcine rotavirus CRW-8 VP8* in complex with N-glycolylneuraminic acid 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZAMIDINE, ... 著者 Yu, X, Blanchard, H. 登録日 2011-08-04 公開日 2012-10-17 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural Basis of Rotavirus Strain Preference toward N-Acetyl- or N-Glycolylneuraminic Acid-Containing Receptors. J.Virol., 86, 2012
3SP3	Lysozyme in 20% sucrose 分子名称: CHLORIDE ION, Lysozyme, SODIUM ION, ... 著者 Sharma, P, Solanki, A.K, Ashish 登録日 2011-07-01 公開日 2011-07-27 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.801 Å) 主引用文献 Lysozyme in 20% sucrose to be published
3QG6	Structural Basis for Ligand Recognition and Discrimination of a Quorum Quenching Antibody 分子名称: AP4-24H11 Heavy Chain, AP4-24H11 Light Chain, Agr autoinducing peptide, ... 著者 Kirchdoerfer, R.N, Janda, J.D, Kaufmann, G.F, Wilson, I.A. 登録日 2011-01-24 公開日 2011-03-23 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody. J.Biol.Chem., 286, 2011
3RUH	Alternative analogs as viable substrates of UDP-hexose 4-epimerases 分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, SULFATE ION, ... 著者 Bhatt, V.S, Guan, W, Wang, P.G. 登録日 2011-05-05 公開日 2011-05-25 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Alternative analogs as viable substrates of UDP-hexose 4-epimerases TO BE PUBLISHED
3S41	Glucokinase in complex with activator and glucose 分子名称: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... 著者 Liu, S. 登録日 2011-05-18 公開日 2011-09-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus MEDCHEMCOMM, 2, 2011
3SI3	Human Thrombin In Complex With UBTHR103 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(pyridin-2-ylmethyl)-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-06-17 公開日 2012-06-20 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
3U8O	Human thrombin complexed with D-Phe-Pro-D-Arg-D-Thr 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. 登録日 2011-10-17 公開日 2012-05-23 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors. Plos One, 7, 2012
3U69	Unliganded wild-type human thrombin 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Figueiredo, A.C, Clement, C.C, Philipp, M, Barbosa Pereira, P.J. 登録日 2011-10-12 公開日 2012-04-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Rational design and characterization of d-phe-pro-d-arg-derived direct thrombin inhibitors. Plos One, 7, 2012
3SI4	Human Thrombin In Complex With UBTHR104 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-2-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-06-17 公開日 2012-06-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.27 Å) 主引用文献 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
3T5F	Human Thrombin In Complex With MI340 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-07-27 公開日 2012-08-01 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
3QLP	X-ray structure of the complex between human alpha thrombin and a modified thrombin binding aptamer (mTBA) 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ... 著者 Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. 登録日 2011-02-03 公開日 2011-10-19 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.14 Å) 主引用文献 Thrombin-aptamer recognition: a revealed ambiguity. Nucleic Acids Res., 39, 2011
3QEM	Crystal structure of amino terminal domains of the NMDA receptor subunit GluN1 and GluN2B in complex with Ro 25-6981 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol, Glutamate [NMDA] receptor subunit epsilon-2, ... 著者 Karakas, E, Simorowski, N, Furukawa, H. 登録日 2011-01-20 公開日 2011-06-15 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.003 Å) 主引用文献 Subunit arrangement and phenylethanolamine binding in GluN1/GluN2B NMDA receptors. Nature, 475, 2011
3QTV	Thrombin Inhibition by Pyridin Derivatives 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-4-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-02-23 公開日 2012-02-29 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
3QWC	Thrombin Inhibition by Pyridin Derivatives 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-02-28 公開日 2012-03-14 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
3RMO	Human Thrombin in complex with MI004 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin variant-2, ... 著者 Biela, A, Heine, A, Klebe, G. 登録日 2011-04-21 公開日 2012-04-25 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect J.Med.Chem., 55, 2012
3U8R	Human thrombin complexed with D-Phe-Pro-D-Arg-Ile 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Figueiredo, A.C, Clement, C.C, Philipp, M, Pereira, P.J.B. 登録日 2011-10-17 公開日 2012-05-23 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Rational design and characterization of D-Phe-Pro-D-Arg-derived direct thrombin inhibitors. Plos One, 7, 2012
3TT1	Crystal Structure of LeuT in the outward-open conformation in complex with Fab 分子名称: Leucine transporter LeuT, SODIUM ION, mouse monoclonal 1gG2a Fab fragment, ... 著者 Krishnamurthy, H, Gouaux, E. 登録日 2011-09-13 公開日 2012-01-04 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (3.099 Å) 主引用文献 X-ray structures of LeuT in substrate-free outward-open and apo inward-open states. Nature, 481, 2012

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