1MHW
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![BU of 1mhw by Molmil](/molmil-images/mine/1mhw) | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides | 分子名称: | 4-biphenylacetyl-Cys-(D)Arg-Tyr-N-(2-phenylethyl) amide, Cathepsin L | 著者 | Chowdhury, S, Sivaraman, J, Wang, J, Devanathan, G, Lachance, P, Qi, H, Menard, R, Lefebvre, J, Konishi, Y, Cygler, M, Sulea, T, Purisima, E.O. | 登録日 | 2002-08-21 | 公開日 | 2002-12-11 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design of non-covalent inhibitors of human cathepsin L. From the 96-residue proregion to optimized tripeptides J.Med.Chem., 45, 2002
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1WCI
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![BU of 1wci by Molmil](/molmil-images/mine/1wci) | Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch | 分子名称: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, C2-1-HYDROXY-3-METHYL-BUTYL-THIAMIN, ... | 著者 | Machius, M, Wynn, R.M, Chuang, J.L, Tomchick, D.R, Brautigam, C.A, Chuang, D.T. | 登録日 | 2004-11-16 | 公開日 | 2006-02-16 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | A Versatile Conformational Switch Regulates Reactivity in Human Branched-Chain Alpha-Ketoacid Dehydrogenase. Structure, 14, 2006
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1M47
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![BU of 1m47 by Molmil](/molmil-images/mine/1m47) | Crystal Structure of Human Interleukin-2 | 分子名称: | SULFATE ION, interleukin-2 | 著者 | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, Wells, J.A, McDowell, R.S, Wells, J.A, Braisted, A.C. | 登録日 | 2002-07-02 | 公開日 | 2002-07-31 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Binding of small molecules to an adaptive protein-protein interface. Proc.Natl.Acad.Sci.USA, 100, 2003
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1M4C
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![BU of 1m4c by Molmil](/molmil-images/mine/1m4c) | Crystal Structure of Human Interleukin-2 | 分子名称: | interleukin-2 | 著者 | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | 登録日 | 2002-07-02 | 公開日 | 2002-07-31 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1M49
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![BU of 1m49 by Molmil](/molmil-images/mine/1m49) | Crystal Structure of Human Interleukin-2 Complexed with SP-1985 | 分子名称: | 2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER, interleukin-2 | 著者 | Arkin, M.A, Randal, M, DeLano, W.L, Hyde, J, Luong, T.N, Oslob, J.D, Raphael, D.R, Taylor, L, Wang, J, McDowell, R.S, Wells, J.A, Braisted, A.C. | 登録日 | 2002-07-02 | 公開日 | 2002-07-31 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Binding of small molecules to an adaptive
protein-protein interface Proc.Natl.Acad.Sci.USA, 100, 2003
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1IL2
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![BU of 1il2 by Molmil](/molmil-images/mine/1il2) | Crystal Structure of the E. coli Aspartyl-tRNA Synthetase:Yeast tRNAasp:aspartyl-Adenylate Complex | 分子名称: | ASPARTYL TRANSFER RNA, ASPARTYL-ADENOSINE-5'-MONOPHOSPHATE, ASPARTYL-TRNA SYNTHETASE, ... | 著者 | Moulinier, L, Eiler, S, Eriani, G, Gangloff, J, Thierry, J.C, Gabriel, K, McClain, W.H, Moras, D. | 登録日 | 2001-05-07 | 公開日 | 2001-09-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The structure of an AspRS-tRNA(Asp) complex reveals a tRNA-dependent control mechanism. EMBO J., 20, 2001
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2XJ0
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![BU of 2xj0 by Molmil](/molmil-images/mine/2xj0) | Protein kinase Pim-1 in complex with fragment-4 from crystallographic fragment screen | 分子名称: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1IIM
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![BU of 1iim by Molmil](/molmil-images/mine/1iim) | thymidylyltransferase complexed with TTP | 分子名称: | THYMIDINE-5'-TRIPHOSPHATE, glucose-1-phosphate thymidylyltransferase | 著者 | Barton, W.A, Lesniak, J, Biggins, J.B, Jeffrey, P.D, Jiang, J, Rajashankar, K.R, Thorson, J.S, Nikolov, D.B. | 登録日 | 2001-04-23 | 公開日 | 2001-05-09 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure, mechanism and engineering of a nucleotidylyltransferase as a first step toward glycorandomization. Nat.Struct.Biol., 8, 2001
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1DTW
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![BU of 1dtw by Molmil](/molmil-images/mine/1dtw) | HUMAN BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE | 分子名称: | BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE ALPHA SUBUNIT, BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE BETA SUBUNIT, MAGNESIUM ION, ... | 著者 | AEvarsson, A, Chuang, J.L, Wynn, R.M, Turley, S, Chuang, D.T, Hol, W.G.J. | 登録日 | 2000-01-13 | 公開日 | 2000-03-27 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structure of human branched-chain alpha-ketoacid dehydrogenase and the molecular basis of multienzyme complex deficiency in maple syrup urine disease. Structure Fold.Des., 8, 2000
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2XIX
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![BU of 2xix by Molmil](/molmil-images/mine/2xix) | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | 分子名称: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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2XJ2
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![BU of 2xj2 by Molmil](/molmil-images/mine/2xj2) | Protein kinase Pim-1 in complex with small molecule inhibitor | 分子名称: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1X7Z
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![BU of 1x7z by Molmil](/molmil-images/mine/1x7z) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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2XIY
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![BU of 2xiy by Molmil](/molmil-images/mine/2xiy) | Protein kinase Pim-1 in complex with fragment-2 from crystallographic fragment screen | 分子名称: | 2-HYDROXYMETHYL-BENZOIMIDAZOLE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1X7Y
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![BU of 1x7y by Molmil](/molmil-images/mine/1x7y) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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1X80
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![BU of 1x80 by Molmil](/molmil-images/mine/1x80) | Crystal structure of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase | 分子名称: | 2-oxoisovalerate dehydrogenase alpha subunit, 2-oxoisovalerate dehydrogenase beta subunit, CHLORIDE ION, ... | 著者 | Wynn, R.M, Kato, M, Machius, M, Chuang, J.L, Li, J, Tomchick, D.R, Chuang, D.T. | 登録日 | 2004-08-16 | 公開日 | 2004-11-23 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Molecular mechanism for regulation of the human mitochondrial branched-chain alpha-ketoacid dehydrogenase complex by phosphorylation Structure, 12, 2004
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2XIZ
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![BU of 2xiz by Molmil](/molmil-images/mine/2xiz) | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | 分子名称: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | 著者 | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | 登録日 | 2010-07-01 | 公開日 | 2011-02-23 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors Acta Crystallogr.,Sect.D, 67, 2011
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1C5L
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![BU of 1c5l by Molmil](/molmil-images/mine/1c5l) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | CALCIUM ION, Hirudin, SODIUM ION, ... | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5M
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![BU of 1c5m by Molmil](/molmil-images/mine/1c5m) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | PROTEIN (COAGULATION FACTOR X) | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5N
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![BU of 1c5n by Molmil](/molmil-images/mine/1c5n) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, Hirudin, ... | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5V
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![BU of 1c5v by Molmil](/molmil-images/mine/1c5v) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | CALCIUM ION, MAGNESIUM ION, PROTEIN (TRYPSIN) | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5Y
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![BU of 1c5y by Molmil](/molmil-images/mine/1c5y) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR), THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5Q
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![BU of 1c5q by Molmil](/molmil-images/mine/1c5q) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CALCIUM ION, CHLORIDE ION, ... | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5P
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![BU of 1c5p by Molmil](/molmil-images/mine/1c5p) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | BENZAMIDINE, CALCIUM ION, MAGNESIUM ION, ... | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5O
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![BU of 1c5o by Molmil](/molmil-images/mine/1c5o) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | BENZAMIDINE, Hirudin, SODIUM ION, ... | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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1C5W
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![BU of 1c5w by Molmil](/molmil-images/mine/1c5w) | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | 分子名称: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRATE ANION, PROTEIN (UROKINASE-TYPE PLASMINOGEN ACTIVATOR) | 著者 | Katz, B.A, Mackman, R, Luong, C, Radika, K, Martelli, A, Sprengeler, P.A, Wang, J, Chan, H, Wong, L. | 登録日 | 1999-12-22 | 公開日 | 2000-12-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem.Biol., 7, 2000
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