3CEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cej by Molmil](/molmil-images/mine/3cej) | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE2865 | Descriptor: | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid, Glycogen phosphorylase, liver form, ... | Authors: | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | Deposit date: | 2008-02-29 | Release date: | 2008-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
|
|
3CEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cem by Molmil](/molmil-images/mine/3cem) | Human glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE9423 | Descriptor: | 1-(2-carboxyphenyl)-7-chloro-6-[(2-chloro-4,6-difluorophenyl)amino]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, Glycogen phosphorylase, liver form, ... | Authors: | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | Deposit date: | 2008-02-29 | Release date: | 2008-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
|
|
3CEH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ceh by Molmil](/molmil-images/mine/3ceh) | Human liver glycogen phosphorylase (tense state) in complex with the allosteric inhibitor AVE5688 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid, Glycogen phosphorylase, ... | Authors: | Wendt, K.U, Dreyer, M.K, Anderka, O, Klabunde, T, Loenze, P, Defossa, E, Schmoll, D. | Deposit date: | 2008-02-29 | Release date: | 2008-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Thermodynamic characterization of allosteric glycogen phosphorylase inhibitors. Biochemistry, 47, 2008
|
|
1LPK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lpk by Molmil](/molmil-images/mine/1lpk) | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | Deposit date: | 2002-05-08 | Release date: | 2003-05-08 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa J.Med.Chem., 45, 2002
|
|
1LQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1lqd by Molmil](/molmil-images/mine/1lqd) | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | Descriptor: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | Authors: | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | Deposit date: | 2002-05-10 | Release date: | 2003-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and Quantitative Structure-Activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa J.Med.Chem., 45, 2002
|
|
1O4P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4p by Molmil](/molmil-images/mine/1o4p) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78791. | Descriptor: | 2-PHENYLMALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4q by Molmil](/molmil-images/mine/1o4q) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79256. | Descriptor: | PHENYL(SULFO)ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4j by Molmil](/molmil-images/mine/1o4j) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH ISO24. | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4d by Molmil](/molmil-images/mine/1o4d) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78262. | Descriptor: | 2-FORMYLPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O43
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o43 by Molmil](/molmil-images/mine/1o43) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82129. | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, [4-((1Z)-2-(ACETYLAMINO)-3-{[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]AMINO}-3-OXOPROP-1-ENYL)-2-FORMYLPHENYL]ACET IC ACID | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O49
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o49 by Molmil](/molmil-images/mine/1o49) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85493. | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, {4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENOXY}-ACETIC ACID | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4g by Molmil](/molmil-images/mine/1o4g) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59. | Descriptor: | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4m by Molmil](/molmil-images/mine/1o4m) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH MALONICACID. | Descriptor: | MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4h by Molmil](/molmil-images/mine/1o4h) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79072. | Descriptor: | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4l by Molmil](/molmil-images/mine/1o4l) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2. | Descriptor: | CITRIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O45
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o45 by Molmil](/molmil-images/mine/1o45) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU84687. | Descriptor: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4f by Molmil](/molmil-images/mine/1o4f) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073. | Descriptor: | 1,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4k by Molmil](/molmil-images/mine/1o4k) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PASBN. | Descriptor: | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4a by Molmil](/molmil-images/mine/1o4a) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197. | Descriptor: | 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O41
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o41 by Molmil](/molmil-images/mine/1o41) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU78300. | Descriptor: | 2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O47
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o47 by Molmil](/molmil-images/mine/1o47) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82209. | Descriptor: | N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O46
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o46 by Molmil](/molmil-images/mine/1o46) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU90395. | Descriptor: | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-METHOXYCARBONYL-PHENYL}-2-FLUORO-MALONIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4c by Molmil](/molmil-images/mine/1o4c) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PHOSPHATE. | Descriptor: | PHOSPHATE ION, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O4I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o4i by Molmil](/molmil-images/mine/1o4i) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH PAS219. | Descriptor: | PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC, cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|
1O48
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1o48 by Molmil](/molmil-images/mine/1o48) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU85053. | Descriptor: | 5-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
|
|