5IH0
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5LAP
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![BU of 5lap by Molmil](/molmil-images/mine/5lap) | p53 cancer mutant Y220C with Cys182 alkylation | Descriptor: | 5-chloranylpyrimidine-4-carboxylic acid, Cellular tumor antigen p53, ZINC ION | Authors: | Joerger, A.C, Bauer, M.R, Fersht, A.R. | Deposit date: | 2016-06-14 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | 2-Sulfonylpyrimidines: Mild alkylating agents with anticancer activity toward p53-compromised cells. Proc.Natl.Acad.Sci.USA, 113, 2016
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5KU9
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![BU of 5ku9 by Molmil](/molmil-images/mine/5ku9) | Crystal structure of MCL1 with compound 1 | Descriptor: | (3~{S})-3-azanyl-4-(4-bromophenyl)-~{N}-[(3~{S})-1-[2-[[(2~{R})-1-(3,4-dichlorophenyl)-4-(methylamino)-4-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-4,5-dihydro-3~{H}-1-benzazepin-3-yl]butanamide, Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION | Authors: | Ferguson, A.D. | Deposit date: | 2016-07-13 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Based Design of Non-Natural Peptidic Macrocyclic Mcl-1 Inhibitors. ACS Med Chem Lett, 8, 2017
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2APJ
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![BU of 2apj by Molmil](/molmil-images/mine/2apj) | X-Ray Structure of Protein from Arabidopsis Thaliana AT4G34215 at 1.6 Angstrom Resolution | Descriptor: | Putative Esterase | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bitto, E, Bingman, C.A, Allard, S.T, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-08-16 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structure at 1.6 Angstroms resolution of the protein product of the At4g34215 gene from Arabidopsis thaliana. Acta Crystallogr.,Sect.D, 61, 2005
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5H84
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![BU of 5h84 by Molmil](/molmil-images/mine/5h84) | Human Gcn5 bound to propionyl-CoA | Descriptor: | 1,2-ETHANEDIOL, Histone acetyltransferase KAT2A, ISOPROPYL ALCOHOL, ... | Authors: | Wolberger, C, Ringel, A.E. | Deposit date: | 2015-12-23 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for acyl-group discrimination by human Gcn5L2. Acta Crystallogr D Struct Biol, 72, 2016
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5H86
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![BU of 5h86 by Molmil](/molmil-images/mine/5h86) | Human Gcn5 bound to butyryl-CoA | Descriptor: | 1,2-ETHANEDIOL, Butyryl Coenzyme A, Histone acetyltransferase KAT2A | Authors: | Wolberger, C, Ringel, A.E. | Deposit date: | 2015-12-23 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural basis for acyl-group discrimination by human Gcn5L2. Acta Crystallogr D Struct Biol, 72, 2016
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5H8B
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![BU of 5h8b by Molmil](/molmil-images/mine/5h8b) | Crystal structure of CK2 with compound 2 | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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4ZHN
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![BU of 4zhn by Molmil](/molmil-images/mine/4zhn) | Crystal Structure of AlkB T208A mutant protein in complex with Co(II), 2-oxoglutarate, and methylated trinucleotide T-meA-T | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, COBALT (II) ION, ... | Authors: | Ergel, B, Yu, B, Vorobiev, S.M, Forouhar, F, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2015-04-25 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.333 Å) | Cite: | DFT Studies of the Rate-Limiting Step in the Reaction Cycle of the Fe/2OG Dioxygenase AlkB and Related Experimental Studies To be published
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5H8G
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![BU of 5h8g by Molmil](/molmil-images/mine/5h8g) | Crystal structure of CK2 with compound 7b | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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3C09
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![BU of 3c09 by Molmil](/molmil-images/mine/3c09) | Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, Matuzumab Fab Heavy chain, ... | Authors: | Ferguson, K.M, Schmiedel, J, Knoechel, T. | Deposit date: | 2008-01-18 | Release date: | 2008-04-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Matuzumab binding to EGFR prevents the conformational rearrangement required for dimerization. Cancer Cell, 13, 2008
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3C08
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5H8E
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![BU of 5h8e by Molmil](/molmil-images/mine/5h8e) | Crystal structure of CK2 with compound 7h | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha, ... | Authors: | Ferguson, A.D. | Deposit date: | 2015-12-23 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo. Acs Med.Chem.Lett., 7, 2016
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3D06
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![BU of 3d06 by Molmil](/molmil-images/mine/3d06) | Human p53 core domain with hot spot mutation R249S (I) | Descriptor: | Cellular tumor antigen p53, ZINC ION | Authors: | Rozenberg, H, Suad, O, Shimon, L.J.W, Frolow, F, Shakked, Z. | Deposit date: | 2008-05-01 | Release date: | 2009-01-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural basis of restoring sequence-specific DNA binding and transactivation to mutant p53 by suppressor mutations J.Mol.Biol., 385, 2009
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3D09
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8A2V
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8A4E
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8A2W
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8A90
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![BU of 8a90 by Molmil](/molmil-images/mine/8a90) | Crystal structure of FrsH | Descriptor: | ACETATE ION, FE (III) ION, GLYCEROL, ... | Authors: | Schneberger, N, Wirtz, D.A, Cruesemann, M, Hagelueken, G. | Deposit date: | 2022-06-27 | Release date: | 2023-07-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.574 Å) | Cite: | Adenylation Domain-Guided Recruitment of Trans- Acting Nonheme Monooxygenases in Nonribosomal Peptide Biosynthesis. Acs Chem.Biol., 18, 2023
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2VZL
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![BU of 2vzl by Molmil](/molmil-images/mine/2vzl) | FERREDOXIN-NADP REDUCTASE (MUTATIONS: T155G, A160T, L263P AND Y303S) COMPLEXED WITH NAD BY COCRYSTALLIZATION | Descriptor: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Herguedas, B, Martinez-Julvez, M, Hermoso, J.A, Peregrina, J.R, Medina, M. | Deposit date: | 2008-07-28 | Release date: | 2009-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase. Biochemistry, 48, 2009
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3KEE
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![BU of 3kee by Molmil](/molmil-images/mine/3kee) | HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435 | Descriptor: | (2R,3aR,10Z,11aS,12aR,14aR)-N-(cyclopropylsulfonyl)-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-4,14-dioxo-2,3,3a,4,5,6,7,8,9,11a,12,13,14,14a-tetradecahydrocyclopenta[c]cyclopropa[g][1,6]diazacyclotetradecine-12a(1H)-carboxamide, 19-mer peptide from Genome polyprotein, GLYCEROL, ... | Authors: | Lindberg, J.D, Nystrom, S, Cummings, M.D. | Deposit date: | 2009-10-26 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Induced-Fit Binding of the Macrocyclic Noncovalent Inhibitor TMC435 to its HCV NS3/NS4A Protease Target Angew.Chem.Int.Ed.Engl., 49, 2010
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8AYQ
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![BU of 8ayq by Molmil](/molmil-images/mine/8ayq) | NaK C-DI mutant with Rb+ and Ca2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-09-02 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. J.Chem.Inf.Model., 63, 2023
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8AYP
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![BU of 8ayp by Molmil](/molmil-images/mine/8ayp) | NaK C-DI mutant with Rb+ and Ba2+ | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ... | Authors: | Minniberger, S, Plested, A.J.R. | Deposit date: | 2022-09-02 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel. J.Chem.Inf.Model., 63, 2023
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1XFI
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![BU of 1xfi by Molmil](/molmil-images/mine/1xfi) | X-ray structure of gene product from Arabidopsis thaliana At2g17340 | Descriptor: | MAGNESIUM ION, unknown protein | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-09-14 | Release date: | 2004-09-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The structure at 1.7 A resolution of the protein product of the At2g17340 gene from Arabidopsis thaliana. Acta Crystallogr.,Sect.F, 61, 2005
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1XMT
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![BU of 1xmt by Molmil](/molmil-images/mine/1xmt) | X-ray structure of gene product from arabidopsis thaliana at1g77540 | Descriptor: | BROMIDE ION, putative acetyltransferase | Authors: | Wesenberg, G.E, Smith, D.W, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-10-04 | Release date: | 2004-10-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family. Biochemistry, 45, 2006
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1YDH
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![BU of 1ydh by Molmil](/molmil-images/mine/1ydh) | X-ray structure of a lysine decarboxylase-like protein from arabidopsis thaliana gene at5g11950 | Descriptor: | 1,2-ETHANEDIOL, At5g11950, NITRATE ION | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2004-12-23 | Release date: | 2005-01-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | X-ray crystal structures of the conserved hypothetical proteins from Arabidopsis thaliana gene loci At5g11950 and AT2g37210. Proteins, 65, 2006
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