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1T24
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BU of 1t24 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
Descriptor: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-20
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2C
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Plasmodium falciparum lactate dehydrogenase complexed with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-21
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T25
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Plasmodium falciparum lactate dehydrogenase complexed with NADH and 3-hydroxyisoxazole-4-carboxylic acid
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-HYDROXYISOXAZOLE-4-CARBOXYLIC ACID, GLYCEROL, ...
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-20
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2F
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BU of 1t2f by Molmil
Human B lactate dehydrogenase complexed with NAD+ and 4-hydroxy-1,2,5-oxadiazole-3-carboxylic acid
Descriptor: 4-HYDROXY-1,2,5-OXADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase B chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-21
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2D
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BU of 1t2d by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NAD+ and oxalate
Descriptor: GLYCEROL, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-21
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T2E
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BU of 1t2e by Molmil
Plasmodium falciparum lactate dehydrogenase S245A, A327P mutant complexed with NADH and oxamate
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase, ...
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-21
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
1T26
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BU of 1t26 by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with NADH and 4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID, L-lactate dehydrogenase
Authors:Cameron, A, Read, J, Tranter, R, Winter, V.J, Sessions, R.B, Brady, R.L, Vivas, L, Easton, A, Kendrick, H, Croft, S.L, Barros, D, Lavandera, J.L, Martin, J.J, Risco, F, Garcia-Ochoa, S, Gamo, F.J, Sanz, L, Leon, L, Ruiz, J.R, Gabarro, R, Mallo, A, De Las Heras, F.G.
Deposit date:2004-04-20
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification and Activity of a Series of Azole-based Compounds with Lactate Dehydrogenase-directed Anti-malarial Activity.
J.Biol.Chem., 279, 2004
2BPM
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BU of 2bpm by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-630529
Descriptor: (2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-1-YL)PHENYL]PROPANAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Cameron, A, Fogliatto, G, Pevarello, P, Brasca, M.G, Orsini, P, Traquandi, G, Longo, A, Nesi, M, Orzi, F, Piutti, C, Sansonna, P, Varasi, M, Vulpetti, A, Roletto, F, Alzani, R, Ciomei, M, Albanese, C, Pastori, W, Marsiglio, A, Pesenti, E, Fiorentini, F, Bischoff, J.R, Mercurio, C.
Deposit date:2005-04-21
Release date:2005-12-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2-Cyclin a as Antitumor Agents. 2. Lead Optimization
J.Med.Chem., 48, 2005
2C4G
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BU of 2c4g by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-533514
Descriptor: (3Z)-5-ACETYL-3-(BENZOYLIMINO)-3,6-DIHYDROPYRROLO[3,4-C]PYRAZOL-5-IUM, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:Cameron, A, Fogliatto, G, Pevarello, P, Fancelli, D, Vulpetti, A, Amici, R, Villa, M, Pittala, V, Ciomei, M, Mercurio, C, Bischoff, J.R, Roletto, F, Varasi, M, Brasca, M.G.
Deposit date:2005-10-19
Release date:2005-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:3-Amino-1,4,5,6-Tetrahydropyrrolo[3,4-C]Pyrazoles: A New Class of Cdk2 Inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2BKZ
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BU of 2bkz by Molmil
STRUCTURE OF CDK2-CYCLIN A WITH PHA-404611
Descriptor: 1-[4-(AMINOSULFONYL)PHENYL]-1,6-DIHYDROPYRAZOLO[3,4-E]INDAZOLE-3-CARBOXAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ...
Authors:DAlessio, R, Bargiottia, A, Metz, S, Brasca, M.G, Cameron, A, Ermoli, A, Marsiglio, A, Polucci, P, Roletto, F, Tibolla, M, Vazquez, M.L, Vulpetti, A, Pevarello, P.
Deposit date:2005-02-23
Release date:2006-03-08
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Benzodipyrazoles: A New Class of Potent Cdk2 Inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
1VYZ
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BU of 1vyz by Molmil
Structure of CDK2 complexed with PNU-181227
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)BENZAMIDE
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, G, Martina, K, Lfritzen, E, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, W, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-17
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. 1. Lead Finding
J.Med.Chem., 47, 2004
1VYW
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BU of 1vyw by Molmil
Structure of CDK2/Cyclin A with PNU-292137
Descriptor: CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-(3-CYCLOPROPYL-1H-PYRAZOL-5-YL)-2-(2-NAPHTHYL)ACETAMIDE, ...
Authors:Pevarello, P, Brasca, M.G, Amici, R, Orsini, P, Traquandi, G, Corti, L, Piutti, C, Sansonna, P, Villa, M, Pierce, B.S, Pulici, M, Giordano, P, Martina, K, Fritzen, E.L, Nugent, R.A, Casale, E, Cameron, A, Ciomei, M, Roletto, F, Isacchi, A, Fogliatto, G, Pesenti, E, Pastori, W, Marsiglio, A, Leach, K.L, Clare, P.M, Fiorentini, F, Varasi, M, Vulpetti, A, Warpehoski, M.A.
Deposit date:2004-05-07
Release date:2004-06-10
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:3-Aminopyrazole Inhibitors of Cdk2/Cyclin a as Antitumor Agents. Part 1. Lead Finding
J.Med.Chem., 47, 2004
1U5A
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BU of 1u5a by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 3,5-dihydroxy-2-naphthoic acid
Descriptor: 3,7-DIHYDROXY-2-NAPHTHOIC ACID, L-lactate dehydrogenase
Authors:Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
Deposit date:2004-07-27
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
1U4S
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BU of 1u4s by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2,6-naphthalenedisulphonic acid
Descriptor: L-lactate dehydrogenase, NAPHTHALENE-2,6-DISULFONIC ACID
Authors:Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
Deposit date:2004-07-26
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
1U4O
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BU of 1u4o by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2,6-naphthalenedicarboxylic acid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,6-DICARBOXYNAPHTHALENE, L-lactate dehydrogenase
Authors:Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
Deposit date:2004-07-26
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
1U5C
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BU of 1u5c by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 3,7-dihydroxynaphthalene-2-carboxylic acid and NAD+
Descriptor: 3,7-DIHYDROXY-2-NAPHTHOIC ACID, L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Conners, R, Cameron, A, Read, J, Schambach, F, Sessions, R.B, Brady, R.L.
Deposit date:2004-07-27
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase.
Mol.Biochem.Parasitol., 142, 2005
5A16
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BU of 5a16 by Molmil
Crystal structure of Fab4201 raised against Human Erythrocyte Anion Exchanger 1
Descriptor: FAB4201 HEAVY CHAIN
Authors:Arakawa, T, Kobayashi-Yugiri, T, Alguel, Y, Weyand, S, Iwanari, H, Hatae, H, Iwata, M, Abe, Y, Hino, T, Ikeda-Suno, C, Kuma, H, Kang, D, Murata, T, Hamakubo, T, Cameron, A, Kobayashi, T, Hamasaki, N, Iwata, S.
Deposit date:2015-04-28
Release date:2015-06-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of the Anion Exchanger Domain of Human Erythrocyte Band 3
Science, 350, 2015
1XIV
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BU of 1xiv by Molmil
Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol
Descriptor: 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL, GLYCEROL, L-lactate dehydrogenase
Authors:Conners, R, Cameron, A, Read, J.A, Schambach, F, Sessions, R.B, Brady, R.L.
Deposit date:2004-09-22
Release date:2005-06-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mapping the binding site for gossypol-like inhibitors of Plasmodium falciparum lactate dehydrogenase
MOL.BIOCHEM.PARASITOL., 142, 2005
1P8J
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BU of 1p8j by Molmil
CRYSTAL STRUCTURE OF THE PROPROTEIN CONVERTASE FURIN
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE INHIBITOR, ...
Authors:Henrich, S, Cameron, A, Bourenkov, G.P, Kiefersauer, R, Huber, R, Lindberg, I, Bode, W, Than, M.E.
Deposit date:2003-05-07
Release date:2003-07-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of the Proprotein Processing Proteinase Furin Explains its Stringent Specificity
Nat.Struct.Biol., 10, 2003
1BNJ
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BU of 1bnj by Molmil
BARNASE WILDTYPE STRUCTURE AT PH 9.0
Descriptor: BARNASE
Authors:Cameron, A, Henrick, K, Fersht, A.R, Dodson, G, Buckle, A.M.
Deposit date:1995-05-17
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structural analysis of mutations in the hydrophobic cores of barnase.
J.Mol.Biol., 234, 1993
1BNI
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BU of 1bni by Molmil
BARNASE WILDTYPE STRUCTURE AT PH 6.0
Descriptor: BARNASE
Authors:Cameron, A, Henrick, K, Fersht, A.R, Dodson, G, Buckle, A.M.
Deposit date:1995-05-17
Release date:1995-09-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structural analysis of mutations in the hydrophobic cores of barnase.
J.Mol.Biol., 234, 1993
8DV6
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BU of 8dv6 by Molmil
Zika virus envelope protein structure in complex with a potent Human mAb
Descriptor: Envelope protein E, mAb Fab Heavy Chain, mAb Fab Light Chain
Authors:Cameron, A, Puhl, A.C, deSilva, A.M, Premkumar, L.
Deposit date:2022-07-28
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Structure and neutralization mechanism of a human antibody targeting a complex Epitope on Zika virus.
Plos Pathog., 19, 2023
6ZGP
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BU of 6zgp by Molmil
Crystal structure of the quaternary ammonium Rieske monooxygenase CntA in complex with inhibitor MMV12 (MMV020670)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carnitine monooxygenase oxygenase subunit, FE (III) ION, ...
Authors:Quareshy, M, Shanmugam, M, Bugg, T.D.H, Cameron, A, Chen, Y.
Deposit date:2020-06-19
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural basis of carnitine monooxygenase CntA substrate specificity, inhibition, and intersubunit electron transfer.
J.Biol.Chem., 296, 2020
2BMC
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BU of 2bmc by Molmil
Aurora-2 T287D T288D complexed with PHA-680632
Descriptor: (3E)-N-(2,6-DIETHYLPHENYL)-3-{[4-(4-METHYLPIPERAZIN-1-YL)BENZOYL]IMINO}PYRROLO[3,4-C]PYRAZOLE-5(3H)-CARBOXAMIDE, SERINE THREONINE-PROTEIN KINASE 6
Authors:Cameron, A.D, Izzo, G, Sagliano, A, Rusconi, L, Storici, P, Fancelli, D, Berta, D, Bindi, S, Catana, C, Forte, B, Giordano, P, Mantegani, S, Meroni, M, Moll, J, Pittala, V, Severino, D, Tonani, R, Varasi, M, Vulpetti, A, Vianello, P.
Deposit date:2005-03-11
Release date:2005-03-17
Last modified:2019-08-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Potent and Selective Aurora Inhibitors Identified by the Expansion of a Novel Scaffold for Protein Kinase Inhibition.
J.Med.Chem., 48, 2005
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
Descriptor: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
Authors:Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
Deposit date:2009-05-14
Release date:2009-07-28
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009

 

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