6B2L
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![BU of 6b2l by Molmil](/molmil-images/mine/6b2l) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with piperidin-2-Imine | Descriptor: | DIMETHYL SULFOXIDE, PIPERIDIN-2-IMINE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-09-20 | Release date: | 2018-09-26 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with piperidin-2-Imine To Be Published
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6B6K
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![BU of 6b6k by Molmil](/molmil-images/mine/6b6k) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 6-methyl-2,3-dihydropyridazin-3-one | Descriptor: | 6-methylpyridazin-3-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-02 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridazin-1-ium-6-olate To Be Published
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1I91
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![BU of 1i91 by Molmil](/molmil-images/mine/1i91) | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6619 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-HYDROXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | Descriptor: | 6-[N-(3-HYDROXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W. | Deposit date: | 2001-03-16 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV. J.Med.Chem., 45, 2002
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1I8Z
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![BU of 1i8z by Molmil](/molmil-images/mine/1i8z) | CARBONIC ANHYDRASE II COMPLEXED WITH AL-6629 2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE, 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-, 1,1-DIOXIDE | Descriptor: | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Kim, C.-Y, Chang, J.S, Liao, J, May, J.A, Christianson, D.W. | Deposit date: | 2001-03-16 | Release date: | 2001-03-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structural aspects of isozyme selectivity in the binding of inhibitors to carbonic anhydrases II and IV. J.Med.Chem., 45, 2002
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6BFV
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![BU of 6bfv by Molmil](/molmil-images/mine/6bfv) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-fluoro-1,2-dihydropyrimidin-2-one | Descriptor: | 5-fluoropyrimidin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-27 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-fluoropyrimidin-1-ium-2-olate To Be Published
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4XUF
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![BU of 4xuf by Molmil](/molmil-images/mine/4xuf) | Crystal structure of the FLT3 kinase domain bound to the inhibitor quizartinib (AC220) | Descriptor: | 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-{7-[2-(morpholin-4-yl)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl}phenyl)urea, Receptor-type tyrosine-protein kinase FLT3 | Authors: | Zorn, J.A, Wang, Q, Fujimura, E, Barros, T, Kuriyan, J. | Deposit date: | 2015-01-25 | Release date: | 2015-04-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220). Plos One, 10, 2015
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4XX9
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![BU of 4xx9 by Molmil](/molmil-images/mine/4xx9) | |
1HL7
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![BU of 1hl7 by Molmil](/molmil-images/mine/1hl7) | Gamma lactamase from an Aureobacterium species in complex with 3a,4,7,7a-tetrahydro-benzo [1,3] dioxol-2-one | Descriptor: | 3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE, GAMMA LACTAMASE | Authors: | Line, K, Isupov, M.N, Littlechild, J.A. | Deposit date: | 2003-03-14 | Release date: | 2004-03-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | The Crystal Structure of a (-)Gamma-Lactamase from an Aureobacterium Species Reveals a Tetrahedral Intermediate in the Active Site J.Mol.Biol., 338, 2004
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6BB7
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![BU of 6bb7 by Molmil](/molmil-images/mine/6bb7) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one | Descriptor: | 3-methylpyridin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-17 | Release date: | 2018-10-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridin-1-ium-2-olate To Be Published
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4XZS
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![BU of 4xzs by Molmil](/molmil-images/mine/4xzs) | Crystal Structure of TRIAP1-MBP fusion | Descriptor: | Maltose-binding periplasmic protein,TP53-regulated inhibitor of apoptosis 1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Miliara, X, Garnett, J.A, Abid-Ali, F, Perez-Dorado, I, Matthews, S.J. | Deposit date: | 2015-02-04 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural insight into the TRIAP1/PRELI-like domain family of mitochondrial phospholipid transfer complexes. Embo Rep., 16, 2015
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4XZ0
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![BU of 4xz0 by Molmil](/molmil-images/mine/4xz0) | ZAP-70-tSH2:compound-A complex | Descriptor: | 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone, SULFATE ION, Tyrosine-protein kinase ZAP-70 | Authors: | Barros, T, Kuriyan, J, Visperas, P.R, Winger, J.A. | Deposit date: | 2015-02-03 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem. J., 465, 2015
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4XZ1
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![BU of 4xz1 by Molmil](/molmil-images/mine/4xz1) | ZAP-70-tSH2:Compound-B adduct | Descriptor: | 2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol, Tyrosine-protein kinase ZAP-70, doubly phosphorylated ITAM peptide | Authors: | Barros, T, Kuriyan, J, Winger, J.A, Visperas, P.R. | Deposit date: | 2015-02-03 | Release date: | 2015-07-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem. J., 465, 2015
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6BHB
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![BU of 6bhb by Molmil](/molmil-images/mine/6bhb) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-aminopyrimidin-5-ol | Descriptor: | 2-aminopyrimidin-5-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-10-30 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-aminopyrimidin-5-ol To Be Published
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1GO2
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![BU of 1go2 by Molmil](/molmil-images/mine/1go2) | Structure of Ferredoxin-NADP+ Reductase with Lys 72 replaced by Glu (K72E) | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2001-10-15 | Release date: | 2002-10-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners Proteins: Struct.,Funct., Genet., 59, 2005
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1GR1
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![BU of 1gr1 by Molmil](/molmil-images/mine/1gr1) | Structure of Ferredoxin-NADP+ Reductase with Glu 139 replaced by Lys (E139K) | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2001-12-12 | Release date: | 2002-10-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Probing the Role of Glutamic Acid 139 of Anabena Ferrodoxin-Nadp+ Reductase in the Interaction with Substrates Eur.J.Biochem., 269, 2002
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1GRP
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![BU of 1grp by Molmil](/molmil-images/mine/1grp) | |
1H4X
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![BU of 1h4x by Molmil](/molmil-images/mine/1h4x) | Structure of the Bacillus Cell Fate Determinant SpoIIAA in the Phosphorylated Form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ANTI-SIGMA F FACTOR ANTAGONIST | Authors: | Seavers, P.R, Lewis, R.J, Brannigan, J.A, Verschueren, K.H.G, Murshudov, G.N, Wilkinson, A.J. | Deposit date: | 2001-05-15 | Release date: | 2001-07-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Structure of the Bacillus Cell Fate Determinant Spoiiaa in Phosphorylated and Unphosphorylated Forms Structure, 9, 2001
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1H00
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![BU of 1h00 by Molmil](/molmil-images/mine/1h00) | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | Descriptor: | (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | Authors: | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | Deposit date: | 2002-06-10 | Release date: | 2003-07-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines Bioorg.Med.Chem.Lett., 13, 2003
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4YKT
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![BU of 4ykt by Molmil](/molmil-images/mine/4ykt) | Heat Shock Protein 90 Bound to CS307 | Descriptor: | 1-(5-chloro-2,4-dihydroxyphenyl)-5-({[dihydroxy(pyridin-3-yl)-lambda~4~-sulfanyl]amino}methyl)-1,3-dihydro-2H-benzimidazol-2-one, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS307 To Be Published
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1GUL
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![BU of 1gul by Molmil](/molmil-images/mine/1gul) | HUMAN GLUTATHIONE TRANSFERASE A4-4 COMPLEX WITH IODOBENZYL GLUTATHIONE | Descriptor: | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE, Glutathione S-transferase A4 | Authors: | Bruns, C.M, Hubatsch, I, Ridderstrom, M, Mannervik, B, Tainer, J.A. | Deposit date: | 1998-06-10 | Release date: | 1999-01-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human glutathione transferase A4-4 crystal structures and mutagenesis reveal the basis of high catalytic efficiency with toxic lipid peroxidation products J.Mol.Biol., 288, 1999
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1H42
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![BU of 1h42 by Molmil](/molmil-images/mine/1h42) | FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY, ALA 160 REPLACED BY THR AND LEU 263 REPLACED BY PRO (T155G-A160T-L263P) | Descriptor: | FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2002-09-26 | Release date: | 2003-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Involvement of the Pyrophosphate and the 2'-Phosphate Binding Regions of Ferredoxin-Nadp+ Reductase in Coenzyme Specificity J.Biol.Chem., 278, 2003
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4YQQ
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4YWH
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![BU of 4ywh by Molmil](/molmil-images/mine/4ywh) | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE | Descriptor: | ABC TRANSPORTER SOLUTE BINDING PROTEIN, beta-D-xylopyranose | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-20 | Release date: | 2015-04-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM ACTINOBACILLUS SUCCINOGENES 130Z (Asuc_0499, TARGET EFI-511068) WITH BOUND D-XYLOSE To be published
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4YIC
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![BU of 4yic by Molmil](/molmil-images/mine/4yic) | CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID | Descriptor: | ACETATE ION, CALCIUM ION, IMIDAZOLE, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Koss, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2015-03-01 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | CRYSTAL STRUCTURE OF A TRAP TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM BORDETELLA BRONCHISEPTICA RB50 (BB0280, TARGET EFI-500035) WITH BOUND PICOLINIC ACID To be published
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4YKW
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![BU of 4ykw by Molmil](/molmil-images/mine/4ykw) | Heat Shock Protein 90 Bound to CS312 | Descriptor: | 4-(2-chloro-4-nitrophenyl)-6-methylpyrimidin-2-amine, Heat shock protein HSP 90-alpha | Authors: | Kang, Y.N, Stuckey, J.A. | Deposit date: | 2015-03-04 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Heat Shock Protein 90 Bound to CS312 To Be Published
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