1C9O
| CRYSTAL STRUCTURE ANALYSIS OF THE BACILLUS CALDOLYTICUS COLD SHOCK PROTEIN BC-CSP | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COLD-SHOCK PROTEIN, SODIUM ION | 著者 | Mueller, U, Perl, D, Schmid, F.X, Heinemann, U. | 登録日 | 1999-08-03 | 公開日 | 2000-04-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.17 Å) | 主引用文献 | Thermal stability and atomic-resolution crystal structure of the Bacillus caldolyticus cold shock protein. J.Mol.Biol., 297, 2000
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3SIT
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8TR5
| Cryo-EM structure of the rat P2X7 receptor in the apo closed state | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GUANOSINE-5'-DIPHOSPHATE, P2X purinoceptor 7, ... | 著者 | Oken, A.C, Lisi, N.E, Krishnamurthy, I, McCarthy, A.E, Godsey, M.H, Glasfeld, A, Mansoor, S.E. | 登録日 | 2023-08-09 | 公開日 | 2024-08-14 | 実験手法 | ELECTRON MICROSCOPY (2.53 Å) | 主引用文献 | High-affinity agonism at the P2X7 receptor is mediated by three residues outside the orthosteric pocket Nat Commun, 2024
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8Y2D
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8Y2G
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3SZT
| Quorum Sensing Control Repressor, QscR, Bound to N-3-oxo-dodecanoyl-L-Homoserine Lactone | 分子名称: | N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, Quorum-sensing control repressor, SODIUM ION | 著者 | Churchill, M.E.A, Lintz, M.J. | 登録日 | 2011-07-19 | 公開日 | 2011-09-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Crystal structure of QscR, a Pseudomonas aeruginosa quorum sensing signal receptor. Proc.Natl.Acad.Sci.USA, 108, 2011
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3T6U
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1BW9
| PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE | 分子名称: | 1,2-ETHANEDIOL, 3-PHENYLPYRUVIC ACID, ISOPROPYL ALCOHOL, ... | 著者 | Vanhooke, J.L, Thoden, J.B, Brunhuber, N.M.W, Blanchard, J.L, Holden, H.M. | 登録日 | 1998-10-01 | 公開日 | 1999-05-18 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Phenylalanine dehydrogenase from Rhodococcus sp. M4: high-resolution X-ray analyses of inhibitory ternary complexes reveal key features in the oxidative deamination mechanism. Biochemistry, 38, 1999
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1BPY
| HUMAN DNA POLYMERASE BETA COMPLEXED WITH GAPPED DNA AND DDCTP | 分子名称: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*DOC)-3'), ... | 著者 | Sawaya, M.R, Pelletier, H, Prasad, R, Wilson, S.H, Kraut, J. | 登録日 | 1997-04-15 | 公開日 | 1997-06-16 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of human DNA polymerase beta complexed with gapped and nicked DNA: evidence for an induced fit mechanism. Biochemistry, 36, 1997
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1D11
| INTERACTIONS BETWEEN AN ANTHRACYCLINE ANTIBIOTIC AND DNA MOLECULAR STRUCTURE OF DAUNOMYCIN COMPLEXED TO D(CPGPTPAPCPG) AT 1.2-ANGSTROMS RESOLUTION | 分子名称: | DAUNOMYCIN, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3'), SODIUM ION | 著者 | Wang, A.H.-J, Ughetto, G, Quigley, G.J, Rich, A. | 登録日 | 1989-10-20 | 公開日 | 1990-10-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Interactions between an anthracycline antibiotic and DNA: molecular structure of daunomycin complexed to d(CpGpTpApCpG) at 1.2-A resolution. Biochemistry, 26, 1987
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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
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1A46
| THROMBIN COMPLEXED WITH HIRUGEN AND A BETA-STRAND MIMETIC INHIBITOR | 分子名称: | (1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | 登録日 | 1998-02-11 | 公開日 | 1998-05-27 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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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 | 2023-12-06 | 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
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1A5G
| HUMAN THROMBIN COMPLEXED WITH NOVEL SYNTHETIC PEPTIDE MIMETIC INHIBITOR AND HIRUGEN | 分子名称: | (1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1-hydroxy-2-oxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | St Charles, R, Tulinsky, A, Kahn, M. | 登録日 | 1998-02-16 | 公開日 | 1998-05-27 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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1A61
| THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR | 分子名称: | (1S,7S)-7-amino-7-benzyl-N-{(1S)-4-carbamimidamido-1-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]butyl}-8-oxohexahydro-1H-pyra zolo[1,2-a]pyridazine-1-carboxamide, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ... | 著者 | St Charles, R, Matthews, J.H, Zhang, E, Tulinsky, A, Kahn, M. | 登録日 | 1998-03-05 | 公開日 | 1998-06-17 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Bound structures of novel P3-P1' beta-strand mimetic inhibitors of thrombin. J.Med.Chem., 42, 1999
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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
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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 | 2023-12-06 | 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
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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
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1B57
| CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE | 分子名称: | CHLORIDE ION, PHOSPHOGLYCOLOHYDROXAMIC ACID, PROTEIN (FRUCTOSE-BISPHOSPHATE ALDOLASE II), ... | 著者 | Hall, D.R, Hunter, W.N. | 登録日 | 1999-01-12 | 公開日 | 2000-01-07 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of Escherichia coli class II fructose-1, 6-bisphosphate aldolase in complex with phosphoglycolohydroxamate reveals details of mechanism and specificity. J.Mol.Biol., 287, 1999
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1D6W
| STRUCTURE OF THROMBIN COMPLEXED WITH SELECTIVE NON-ELECTROPHILIC INHIBITORS HAVING CYCLOHEXYL MOIETIES AT P1 | 分子名称: | (5S)-N-[trans-4-(2-amino-1H-imidazol-5-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide, DECAPEPTIDE INHIBITOR, SODIUM ION, ... | 著者 | Mochalkin, I, Tulinsky, A. | 登録日 | 1999-10-15 | 公開日 | 2000-10-25 | 最終更新日 | 2017-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of thrombin complexed with selective non-electrophilic inhibitors having cyclohexyl moieties at P1. Acta Crystallogr.,Sect.D, 56, 2000
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1D10
| STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN | 分子名称: | DAUNOMYCIN, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), SODIUM ION, ... | 著者 | Frederick, C.A, Williams, L.D, Ughetto, G, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J. | 登録日 | 1989-10-20 | 公開日 | 1990-10-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural comparison of anticancer drug-DNA complexes: adriamycin and daunomycin. Biochemistry, 29, 1990
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1D12
| STRUCTURAL COMPARISON OF ANTICANCER DRUG-DNA COMPLEXES. ADRIAMYCIN AND DAUNOMYCIN | 分子名称: | DNA (5'-D(*CP*GP*AP*TP*CP*G)-3'), DOXORUBICIN, SODIUM ION, ... | 著者 | Frederick, C.A, Williams, L.D, Ughetto, G, Van Der Marel, G.A, Van Boom, J.H, Rich, A, Wang, A.H.-J. | 登録日 | 1989-10-20 | 公開日 | 1990-10-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural comparison of anticancer drug-DNA complexes: adriamycin and daunomycin. Biochemistry, 29, 1990
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1D39
| COVALENT MODIFICATION OF GUANINE BASES IN DOUBLE STRANDED DNA: THE 1.2 ANGSTROMS Z-DNA STRUCTURE OF D(CGCGCG) IN THE PRESENCE OF CUCL2 | 分子名称: | COPPER (II) ION, DNA (5'-D(*CP*(CU)GP*CP*(CU)GP*CP*(CU)G)-3'), SODIUM ION | 著者 | Kagawa, T.F, Geierstanger, B.H, Wang, A.H.-J, Ho, P.S. | 登録日 | 1991-05-07 | 公開日 | 1992-04-15 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Covalent modification of guanine bases in double-stranded DNA. The 1.2-A Z-DNA structure of d(CGCGCG) in the presence of CuCl2. J.Biol.Chem., 266, 1991
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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
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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
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