1BI4
 
 | | CATALYTIC DOMAIN OF HIV-1 INTEGRASE | | Descriptor: | INTEGRASE | | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | | Deposit date: | 1998-06-22 | | Release date: | 1998-11-04 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
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1BHL
 | | CACODYLATED CATALYTIC DOMAIN OF HIV-1 INTEGRASE | | Descriptor: | HIV-1 INTEGRASE | | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | | Deposit date: | 1998-06-10 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
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1BL3
 | | CATALYTIC DOMAIN OF HIV-1 INTEGRASE | | Descriptor: | INTEGRASE, MAGNESIUM ION | | Authors: | Maignan, S, Guilloteau, J.P, Zhou-Liu, Q, Clement-Mella, C, Mikol, V. | | Deposit date: | 1998-07-23 | | Release date: | 1998-09-30 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases.
J.Mol.Biol., 282, 1998
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1F0R
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR XA, THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-2-OXO-PYRROLDIN-3-YL]-AMIDE | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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1F0T
 | | BOVINE TRYPSIN COMPLEXED WITH RPR131247 | | Descriptor: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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1EZQ
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR128515 | | Descriptor: | 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER, CALCIUM ION, COAGULATION FACTOR XA | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-11 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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1F0S
 | | Crystal Structure of Human Coagulation Factor XA Complexed with RPR208707 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR XA, THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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1F0U
 | | BOVINE TRYPSIN COMPLEXED WITH RPR128515 | | Descriptor: | 3-[(3'-AMINOMETHYL-BIPHENYL-4-CARBONYL)-AMINO]-2-(3-CARBAMIMIDOYL-BENZYL)-BUTYRIC ACID METHYL ESTER, CALCIUM ION, SULFATE ION, ... | | Authors: | Maignan, S, Guilloteau, J.P, Pouzieux, S, Choi-Sledeski, Y.M, Becker, M.R, Klein, S.I, Ewing, W.R, Pauls, H.W, Spada, A.P, Mikol, V. | | Deposit date: | 2000-05-17 | | Release date: | 2000-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of human factor Xa complexed with potent inhibitors.
J.Med.Chem., 43, 2000
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1NFX
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208944 | | Descriptor: | 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE, CALCIUM ION, COAGULATION FACTOR XA, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors:
preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NFU
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR132747 | | Descriptor: | 3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, COAGULATION FACTOR XA, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NFY
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR200095 | | Descriptor: | 4-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE, CALCIUM ION, Coagulation factor XA, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1NFW
 | | CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR209685 | | Descriptor: | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE, CALCIUM ION, COAGULATION FACTOR XA, ... | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-12-16 | | Release date: | 2003-02-25 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular structures of human Factor Xa complexed with ketopiperazine inhibitors:
preference for a neutral group in the S1 pocket.
J.Med.Chem., 46, 2003
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1GRI
 | | GRB2 | | Descriptor: | GROWTH FACTOR BOUND PROTEIN 2 | | Authors: | Maignan, S, Arnoux, B, Ducruix, A. | | Deposit date: | 1995-02-28 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of the mammalian Grb2 adaptor.
Science, 268, 1995
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2BM2
 | | human beta-II tryptase in complex with 4-(3-Aminomethyl-phenyl)- piperidin-1-yl-(5-phenethyl- pyridin-3-yl)-methanone | | Descriptor: | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN-3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE, HUMAN BETA2 TRYPTASE | | Authors: | Maignan, S, Guilloteau, J.-P, Dupuy, A, Levell, J, Astles, P, Eastwood, P, Cairns, J, Houille, O, Aldous, S, Merriman, G, Whiteley, B, Pribish, J, Czekaj, M, Liang, G, Davidson, J, Harrison, T, Morley, A, Watson, S, Fenton, G, Mccarthy, C, Romano, J, Mathew, R, Engers, D, Gardyan, M, Sides, K, Kwong, J, Tsay, J, Rebello, S, Shen, L, Wang, J, Luo, Y, Giardino, O, Lim, H.-K, Smith, K, Pauls, H. | | Deposit date: | 2005-03-09 | | Release date: | 2005-03-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure Based Design of 4-(3-Aminomethylphenyl) Piperidinyl-1-Amides: Novel, Potent, Selective, and Orally Bioavailable Inhibitors of Bii Tryptase
Bioorg.Med.Chem., 13, 2005
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3LVP
 | | Crystal structure of bisphosphorylated IGF1-R Kinase domain (2P) in complex with a bis-azaindole inhibitor | | Descriptor: | 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Insulin-like growth factor 1 receptor, ... | | Authors: | Maignan, S, Marquette, J.P, Guilloteau, J.P. | | Deposit date: | 2010-02-22 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Design of Potent IGF1-R Inhibitors Related to Bis-azaindoles
Chem.Biol.Drug Des., 76, 2010
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3O23
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3LAU
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1KSN
 | | Crystal Structure of Human Coagulation Factor XA Complexed with FXV673 | | Descriptor: | CALCIUM ION, COAGULATION FACTOR XA, METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | | Authors: | Maignan, S, Guilloteau, J.P. | | Deposit date: | 2002-01-14 | | Release date: | 2002-06-19 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Optimization of the beta-aminoester class of factor Xa inhibitors. Part 2: Identification of FXV673 as a potent and selective inhibitor with excellent In vivo anticoagulant activity.
Bioorg.Med.Chem.Lett., 12, 2002
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4UYN
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | | Deposit date: | 2014-09-02 | | Release date: | 2014-11-19 | | Last modified: | 2019-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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4UZH
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | | Authors: | Pouzieux, S, Maignan, S, Crenne, J.Y. | | Deposit date: | 2014-09-05 | | Release date: | 2014-11-19 | | Last modified: | 2015-01-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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4A6L
 | | beta-tryptase inhibitor | | Descriptor: | 1-{3-[1-({5-[(2-fluorophenyl)ethynyl]furan-2-yl}carbonyl)piperidin-4-yl]phenyl}methanamine, TRYPTASE ALPHA/BETA-1 | | Authors: | Mathieu, M, Maignan, S. | | Deposit date: | 2011-11-04 | | Release date: | 2012-01-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure-Based Library Design and the Discovery of a Potent and Selective Mast Cell Beta-Tryptase Inhibitor as an Oral Therapeutic Agent.
Bioorg.Med.Chem.Lett., 22, 2012
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194L
 | | THE 1.40 A STRUCTURE OF SPACEHAB-01 HEN EGG WHITE LYSOZYME | | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | | Authors: | Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
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193L
 | | THE 1.33 A STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME | | Descriptor: | CHLORIDE ION, LYSOZYME, SODIUM ION | | Authors: | Vaney, M.C, Maignan, S, Ries-Kautt, M, Ducruix, A. | | Deposit date: | 1995-09-01 | | Release date: | 1995-12-07 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | High-resolution structure (1.33 A) of a HEW lysozyme tetragonal crystal grown in the APCF apparatus. Data and structural comparison with a crystal grown under microgravity from SpaceHab-01 mission.
Acta Crystallogr.,Sect.D, 52, 1996
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4UZD
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | | Authors: | Pouzieux, S, Delarbre, L, Crenne, J.Y. | | Deposit date: | 2014-09-05 | | Release date: | 2014-11-19 | | Last modified: | 2019-08-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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3LFS
 | | Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor | | Descriptor: | Cell division protein kinase 2, N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide | | Authors: | Dreyer, M.K, Wendt, K.U, Schimanski-Breves, S, Loenze, P. | | Deposit date: | 2010-01-18 | | Release date: | 2010-03-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Bioorg.Med.Chem.Lett., 20, 2010
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