1ZVI
 
 | | Rat Neuronal Nitric Oxide Synthase Oxygenase Domain | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric-oxide synthase, brain, ... | | 著者 | Matter, H, Kumar, H.S, Fedorov, R, Frey, A, Kotsonis, P, Hartmann, E, Frohlich, L.G, Reif, A, Pfleiderer, W, Scheurer, P, Ghosh, D.K, Schlichting, I, Schmidt, H.H. | | 登録日 | 2005-06-02 | | 公開日 | 2005-08-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural Analysis of Isoform-Specific Inhibitors Targeting the Tetrahydrobiopterin Binding Site of Human Nitric Oxide Synthases.
J.Med.Chem., 48, 2005
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1ZVL
 | | Rat Neuronal Nitric Oxide Synthase Oxygenase Domain complexed with natural substrate L-Arg. | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric-oxide synthase, ... | | 著者 | Matter, H, Kumar, H.S, Fedorov, R, Frey, A, Kotsonis, P, Hartmann, E, Frohlich, L.G, Reif, A, Pfleiderer, W, Scheurer, P, Ghosh, D.K, Schlichting, I, Schmidt, H.H. | | 登録日 | 2005-06-02 | | 公開日 | 2005-08-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Analysis of Isoform-Specific Inhibitors Targeting the Tetrahydrobiopterin Binding Site of Human Nitric Oxide Synthases.
J.Med.Chem., 48, 2005
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2BMG
 | | Crystal structure of factor Xa in complex with 50 | | 分子名称: | 3-[2-(2,4-DICHLOROPHENYL)ETHOXY]-4-METHOXY-N-[(1-PYRIDIN-4-YLPIPERIDIN-4-YL)METHYL]BENZAMIDE, CALCIUM ION, COAGULATION FACTOR X | | 著者 | Schreuder, H, Matter, H, Will, D.W, Nazare, M, Laux, V, Wehner, V, Loenze, P, Liesum, A. | | 登録日 | 2005-03-14 | | 公開日 | 2006-03-08 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Requirements for Factor Xa Inhibition by 3-Oxybenzamides with Neutral P1 Substituents: Combining X-Ray Crystallography, 3D-Qsar and Tailored Scoring Functions
J.Med.Chem., 48, 2005
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3SFC
 | | Structure-Based Optimization of Potent 4- and 6-Azaindole-3-Carboxamides as Renin Inhibitors | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Renin, ... | | 著者 | Scheiper, B, Matter, H, Steinhagen, H, Bocskei, Z, Fleury, V, McCort, G. | | 登録日 | 2011-06-13 | | 公開日 | 2011-08-31 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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1O1V
 | | Human Ileal Lipid-Binding Protein (ILBP) in Complex with Cholyltaurine | | 分子名称: | Gastrotropin, TAUROCHOLIC ACID | | 著者 | Kurz, M, Brachvogel, V, Matter, H, Stengelin, S, Thuering, H, Kramer, W. | | 登録日 | 2003-02-10 | | 公開日 | 2003-02-18 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and
its comparison with homologous structures.
Proteins, 50, 2003
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1DMK
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 4-AMINO-6-PHENYL-TETRAHYDROPTERIDINE | | 分子名称: | 2,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINE, ACETATE ION, CACODYLATE ION, ... | | 著者 | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | | 登録日 | 1999-12-14 | | 公開日 | 2000-12-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
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2BQW
 | | CRYSTAL STRUCTURE OF FACTOR XA IN COMPLEX WITH COMPOUND 45 | | 分子名称: | 1-{2-[(4-CHLOROPHENYL)AMINO]-2-OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | 登録日 | 2005-04-28 | | 公開日 | 2006-04-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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2BOH
 | | Crystal structure of factor Xa in complex with compound "1" | | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-4-YL)-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR XA | | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | 登録日 | 2005-04-11 | | 公開日 | 2006-04-05 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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2BQ7
 | | Crystal structure of factor Xa in complex with 43 | | 分子名称: | CALCIUM ION, COAGULATION FACTOR X, FACTOR XA, ... | | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | 登録日 | 2005-04-27 | | 公開日 | 2006-04-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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2BQ6
 | | Crystal structure of factor Xa in complex with 21 | | 分子名称: | 1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-3-YL]METHYL}-3-CYANO-N-(1-ISOPROPYLPIPERIDIN-4-YL)-7-METHYL-1H-INDOLE-2-CARBOXAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | 著者 | Nazare, M, Will, D.W, Matter, H, Schreuder, H, Ritter, K, Urmann, M, Essrich, M, Bauer, A, Wagner, M, Czech, J, Laux, V, Wehner, V. | | 登録日 | 2005-04-27 | | 公開日 | 2006-04-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold: A Study Combining Structure-Activity Relationship and X-Ray Crystallography.
J.Med.Chem., 48, 2005
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1O1U
 | | human ileal lipid-binding protein (ILBP) in free form | | 分子名称: | Gastrotropin | | 著者 | Kurz, M, Brachvogel, V, Matter, H, Stengelin, S, Thuering, H, Kramer, W. | | 登録日 | 2003-02-10 | | 公開日 | 2003-02-25 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and its comparison with homologous structures.
Proteins, 50, 2003
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4A7I
 | | Factor Xa in complex with a potent 2-amino-ethane sulfonamide inhibitor | | 分子名称: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN XA, CALCIUM ION, ... | | 著者 | Nazare, M, Matter, H, Will, D.W, Wagner, M, Urmann, M, Czech, J, Schreuder, H, Bauer, A, Ritter, K, Wehner, V. | | 登録日 | 2011-11-14 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Fragment Deconstruction of Small, Potent Factor Xa Inhibitors: Exploring the Superadditivity Energetics of Fragment Linking in Protein-Ligand Complexes.
Angew.Chem.Int.Ed.Engl., 51, 2012
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1DMJ
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE | | 分子名称: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ... | | 著者 | Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H. | | 登録日 | 1999-12-14 | | 公開日 | 2000-12-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
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1LPG
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 79. | | 分子名称: | Blood coagulation factor Xa, CALCIUM ION, [4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-METHYL)-PHENYL]-TRIMETHYL-AMMONIUM | | 著者 | Schreuder, H.A, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-08 | | 公開日 | 2003-05-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 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
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1LQD
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 45. | | 分子名称: | 1-(3-CARBAMIMIDOYL-BENZYL)-4-METHYL-1H-INDOLE-2-CARBOXYLIC ACID 3,5-DIMETHYL-BENZYLAMIDE, Blood coagulation factor Xa, CALCIUM ION | | 著者 | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-10 | | 公開日 | 2003-05-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | 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
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1LQE
 | | CRYSTAL STRUCTURE OF TRYPSIN IN COMPLEX WITH 79. | | 分子名称: | CALCIUM ION, SULFATE ION, TRYPSIN, ... | | 著者 | Schreuder, H.A, Liesum, A. | | 登録日 | 2002-05-10 | | 公開日 | 2003-05-10 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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
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1LPZ
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 41. | | 分子名称: | 1-(3-carbamimidoylbenzyl)-N-(3,5-dichlorobenzyl)-4-methyl-1H-indole-2-carboxamide, Blood coagulation factor Xa, CALCIUM ION | | 著者 | Schreuder, H.A, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-08 | | 公開日 | 2003-05-08 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | 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.Biol.Chem., 45, 2002
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1LPK
 | | CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125. | | 分子名称: | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-BENZYLESTER, Blood coagulation factor Xa, CALCIUM ION | | 著者 | Schreuder, H.A, Loenze, P, Brachvogel, V, Liesum, A. | | 登録日 | 2002-05-08 | | 公開日 | 2003-05-08 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | 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
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1BZS
 | | CRYSTAL STRUCTURE OF MMP8 COMPLEXED WITH HMR2909 | | 分子名称: | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Schreuder, H, Brachvogel, V, Loenze, P. | | 登録日 | 1998-11-04 | | 公開日 | 2000-05-31 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Quantitative structure-activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure analysis.
J.Med.Chem., 42, 1999
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7SPT
 | | Crystal structure of exofacial state human glucose transporter GLUT3 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | | 著者 | Wang, N, Jiang, X, Yan, N. | | 登録日 | 2021-11-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
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7SPS
 | | Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | | 著者 | Wang, N, Jiang, X, Yan, N. | | 登録日 | 2021-11-03 | | 公開日 | 2022-05-18 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular basis for inhibiting human glucose transporters by exofacial inhibitors.
Nat Commun, 13, 2022
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6R7S
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6EZQ
 | | human Serum Albumin complexed with NBD-C12 fatty acid | | 分子名称: | 12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid, Serum albumin | | 著者 | Wenskowsky, L, Liesum, A, Schreuder, H.A. | | 登録日 | 2017-11-16 | | 公開日 | 2017-12-13 | | 最終更新日 | 2018-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Identification and Characterization of a Single High-Affinity Fatty Acid Binding Site in Human Serum Albumin.
Angew. Chem. Int. Ed. Engl., 57, 2018
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3OQF
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3OOT
 | | Crystal Structure Analysis of Renin-indole-piperazin inhibitor complexes | | 分子名称: | 2-(3-fluoro-2-methylbenzyl)-4-methyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indol-5-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | 著者 | Bocskei, Z. | | 登録日 | 2010-08-31 | | 公開日 | 2010-10-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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