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7SX4
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BU of 7sx4 by Molmil
Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J.
Deposit date:2021-11-22
Release date:2021-12-29
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
4WBX
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BU of 4wbx by Molmil
Conserved hypothetical protein PF1771 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
Descriptor: 2-keto acid:ferredoxin oxidoreductase subunit alpha
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-09-04
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
6P9G
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BU of 6p9g by Molmil
Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 2-(4-oxoquinazolin-3(4H)-yl)propanoic acid
Descriptor: (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ...
Authors:Tempel, W, Mann, M.K, Harding, R.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC)
Deposit date:2019-06-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain.
J.Med.Chem., 62, 2019
6CNY
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BU of 6cny by Molmil
2.3 Angstrom Structure of Phosphodiesterase treated Vivid (complex with FMN)
Descriptor: FLAVIN MONONUCLEOTIDE, Vivid PAS protein VVD
Authors:Zoltowski, B.D, Shabalin, I.G, Kowiel, M, Porebski, P.J, Crane, B.R, Bilwes, A.M.
Deposit date:2018-03-09
Release date:2018-03-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformational switching in the fungal light sensor Vivid.
Science, 316, 2007
2I61
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BU of 2i61 by Molmil
Depressant anti-insect neurotoxin, LqhIT2 from Leiurus quinquestriatus hebraeus
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CARBON DIOXIDE, ...
Authors:Frolow, F, Gurevitz, M, Karbat, I, Turkov, M, Gordon, D.
Deposit date:2006-08-27
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:X-ray Structure and Mutagenesis of the Scorpion Depressant Toxin LqhIT2 Reveals Key Determinants Crucial for Activity and Anti-Insect Selectivity.
J.Mol.Biol., 366, 2007
2VYZ
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BU of 2vyz by Molmil
Mutant Ala55Phe of Cerebratulus lacteus mini-hemoglobin
Descriptor: ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ...
Authors:Salter, M.D, Nienhaus, K, Nienhaus, G.U, Dewilde, S, Moens, L, Pesce, A, Nardini, M, Bolognesi, M, Olson, J.S.
Deposit date:2008-07-29
Release date:2008-10-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Apolar Channel in Cerebratulus Lacteus Hemoglobin is the Route for O2 Entry and Exit.
J.Biol.Chem., 283, 2008
2VTL
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BU of 2vtl by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
4QQE
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BU of 4qqe by Molmil
Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[2-(4-methylpiperazin-1-yl)-5-(quinolin-3-yl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridine-3-carboxamide, ...
Authors:Dong, A, Dombrovski, L, Wernimont, A, Smil, D, Getlik, M, Senisterra, G, Poda, G, Al-Awar, R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2014-06-27
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of WDR5, WD repeat domain 5 in complex with compound SGC-DS-MT-0345
To be Published
4V1M
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BU of 4v1m by Molmil
Architecture of the RNA polymerase II-Mediator core transcription initiation complex
Descriptor: 5'-D(*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP)-3', 5'-D(*CP*CP*AP*GP*GP*AP)-3', 5'-D(*TP*CP*AP*AP*GP*TP*AP*CP*TP*TP*TP*TP*TP*CP *CP*BRUP*GP*GP*TP*C)-3', ...
Authors:Plaschka, C, Lariviere, L, Wenzeck, L, Hemann, M, Tegunov, D, Petrotchenko, E.V, Borchers, C.H, Baumeister, W, Herzog, F, Villa, E, Cramer, P.
Deposit date:2014-09-29
Release date:2015-02-04
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Architecture of the RNA Polymerase II-Mediator Core Initiation Complex.
Nature, 518, 2015
6CIG
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BU of 6cig by Molmil
CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED ISOFLAVONE O-METHYLTRANSFERASE
Descriptor: GLYCEROL, Isoflavone-7-O-methyltransferase 8, N-(TRIS(HYDROXYMETHYL)METHYL)-3-AMINOPROPANESULFONIC ACID, ...
Authors:Zubieta, C, Dixon, R.A, Shabalin, I.G, Kowiel, M, Porebski, P.J, Noel, J.P.
Deposit date:2018-02-23
Release date:2018-03-07
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of two natural product methyltransferases reveal the basis for substrate specificity in plant O-methyltransferases.
Nat. Struct. Biol., 8, 2001
2VTT
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BU of 2vtt by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
Descriptor: 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2W0N
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BU of 2w0n by Molmil
Plasticity of PAS domain and potential role for signal transduction in the histidine-kinase DcuS
Descriptor: SENSOR PROTEIN DCUS
Authors:Etzkorn, M, Kneuper, H, Duennwald, P, Vijayan, V, Kraemer, J, Griesinger, C, Becker, S, Unden, G, Baldus, M.
Deposit date:2008-08-19
Release date:2008-09-30
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Plasticity of the Pas Domain and a Potential Role for Signal Transduction in the Histidine Kinase Dcus.
Nat.Struct.Mol.Biol., 15, 2008
1JQQ
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BU of 1jqq by Molmil
Crystal structure of Pex13p(301-386) SH3 domain
Descriptor: PEROXISOMAL MEMBRANE PROTEIN PAS20
Authors:Douangamath, A, Mayans, O, Barnett, P, Distel, B, Wilmanns, M.
Deposit date:2001-08-08
Release date:2002-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Topography for Independent Binding of alpha-Helical and PPII-Helical Ligands to a Peroxisomal SH3 Domain
Mol.Cell, 10, 2002
2VXJ
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BU of 2vxj by Molmil
CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH AGAL13BGAL14GLC AT 1.9 A RESOLUTION
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, PA-I GALACTOPHILIC LECTIN, ...
Authors:Blanchard, B, Nurisso, A, Hollville, E, Tetaud, C, Wiels, J, Pokorna, M, Wimmerova, M, Varrot, A, Imberty, A.
Deposit date:2008-07-04
Release date:2008-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis of the Preferential Binding for Globo-Series Glycosphingolipids Displayed by Pseudomonas Aeruginosa Lectin I.
J.Mol.Biol., 383, 2008
6CWV
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BU of 6cwv by Molmil
Protein Tyrosine Phosphatase 1B A122S mutant
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Hjortness, M, Zwart, P, Sankaran, B, Fox, J.M.
Deposit date:2018-03-31
Release date:2018-10-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98002291 Å)
Cite:Evolutionarily Conserved Allosteric Communication in Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
2W3Y
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BU of 2w3y by Molmil
Structure of the Evf virulence factor
Descriptor: PALMITIC ACID, VIRULENCE FACTOR
Authors:Quevillon-Cheruel, S, Leulliot, N, Acosta Muniz C, C, Vincent, M, Gallay, J, Argentini, M, Cornu, D, Boccard, F, Lemaitre, B, van Tilbeurgh, H.
Deposit date:2008-11-17
Release date:2008-12-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evf, a Virulence Factor Produced by the Drosophila Pathogen Erwinia Carotovora is a S-Palmitoylated Protein with a New Fold that Binds to Lipid Vesicles.
J.Biol.Chem., 284, 2009
2II4
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BU of 2ii4 by Molmil
Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Coenzyme A-bound form
Descriptor: CHLORIDE ION, COENZYME A, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T.
Deposit date:2006-09-27
Release date:2006-12-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex.
Embo J., 25, 2006
2II3
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BU of 2ii3 by Molmil
Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Oxidized Coenzyme A-bound form
Descriptor: ACETATE ION, CHLORIDE ION, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T.
Deposit date:2006-09-27
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex.
Embo J., 25, 2006
7B4T
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BU of 7b4t by Molmil
Broadly neutralizing DARPin bnD.1 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
Descriptor: Broadly neutralizing DARPin bnD.1, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), SULFATE ION
Authors:Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
Deposit date:2020-12-02
Release date:2021-11-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7B4U
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BU of 7b4u by Molmil
Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
Descriptor: Broadly neutralizing DARPin bnD.2, CALCIUM ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
Authors:Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
Deposit date:2020-12-02
Release date:2021-11-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7B4V
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BU of 7b4v by Molmil
Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
Descriptor: Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ...
Authors:Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
Deposit date:2020-12-02
Release date:2021-11-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
2VSX
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BU of 2vsx by Molmil
Crystal Structure of a Translation Initiation Complex
Descriptor: ADENOSINE MONOPHOSPHATE, ATP-DEPENDENT RNA HELICASE EIF4A, EUKARYOTIC INITIATION FACTOR 4F SUBUNIT P150
Authors:Schutz, P, Bumann, M, Oberholzer, A.E, Bieniossek, C, Altmann, M, Trachsel, H, Baumann, U.
Deposit date:2008-04-30
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Yeast Eif4A-Eif4G Complex: An RNA-Helicase Controlled by Protein-Protein Interactions.
Proc.Natl.Acad.Sci.USA, 105, 2008
7B4W
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BU of 7b4w by Molmil
Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.3, ...
Authors:Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A.
Deposit date:2020-12-02
Release date:2021-11-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
2W5J
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BU of 2w5j by Molmil
Structure of the c14-rotor ring of the proton translocating chloroplast ATP synthase
Descriptor: ATP SYNTHASE C CHAIN, CHLOROPLASTIC
Authors:Vollmar, M, Schlieper, D, Winn, M, Buechner, C, Groth, G.
Deposit date:2008-12-10
Release date:2009-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structure of the c14 rotor ring of the proton translocating chloroplast ATP synthase.
J. Biol. Chem., 284, 2009
2VTH
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BU of 2vth by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
Descriptor: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
Authors:Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
Deposit date:2008-05-15
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008

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