5MO7
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![BU of 5mo7 by Molmil](/molmil-images/mine/5mo7) | Crystal Structure of CK2alpha with N-(3-(((2-chloro-[1,1'-biphenyl]-4-yl)methyl)amino)propyl)methanesulfonamide bound | Descriptor: | 3-[(3-chloranyl-4-phenyl-phenyl)methylamino]propanamide, Casein kinase II subunit alpha, PHOSPHATE ION | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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5FJ1
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7SIH
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![BU of 7sih by Molmil](/molmil-images/mine/7sih) | Crystal Structure of HLA B*3503 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | Deposit date: | 2021-10-14 | Release date: | 2022-11-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control. Immunol.Cell.Biol., 102, 2024
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8CR0
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![BU of 8cr0 by Molmil](/molmil-images/mine/8cr0) | Crystal structure of human carbonic anhydrase II in complex with a triazolyl benzoxaborole inhibitor | Descriptor: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-4-[(4-fluoranylphenoxy)methyl]-1,2,3-triazole, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2023-03-07 | Release date: | 2023-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography. J.Med.Chem., 66, 2023
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6MUT
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![BU of 6mut by Molmil](/molmil-images/mine/6mut) | Cryo-EM structure of ternary Csm-crRNA-target RNA with anti-tag sequence complex in type III-A CRISPR-Cas system | Descriptor: | RNA (5'-R(*GP*UP*GP*GP*AP*AP*AP*GP*GP*CP*GP*GP*GP*CP*AP*GP*AP*GP*GP*C)-3'), RNA (5'-R(P*CP*CP*UP*CP*UP*GP*CP*CP*CP*GP*CP*CP*UP*UP*UP*CP*CP*AP*C)-3'), Uncharacterized protein Csm1, ... | Authors: | Jia, N, Wang, C, Eng, E.T, Patel, D.J. | Deposit date: | 2018-10-23 | Release date: | 2018-12-12 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Type III-A CRISPR-Cas Csm Complexes: Assembly, Periodic RNA Cleavage, DNase Activity Regulation, and Autoimmunity. Mol. Cell, 73, 2019
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5MK1
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7SIG
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![BU of 7sig by Molmil](/molmil-images/mine/7sig) | Crystal Structure of HLA B*3501 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | Descriptor: | Beta-2-microglobulin, CITRATE ANION, MHC class I antigen, ... | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | Deposit date: | 2021-10-14 | Release date: | 2022-11-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.741 Å) | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control. Immunol.Cell.Biol., 102, 2024
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6RRJ
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![BU of 6rrj by Molmil](/molmil-images/mine/6rrj) | GOLGI ALPHA-MANNOSIDASE II in complex with 5-(Adamantan-1yl-methoxy)-pentyl 2,5-dideoxy-2,5-imino-D-talo-hexonamide | Descriptor: | (2~{S},3~{R},4~{S},5~{R})-~{N}-[5-(1-adamantylmethoxy)pentyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Alpha-mannosidase 2, ... | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2019-05-20 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors. J.Am.Chem.Soc., 142, 2020
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7SIF
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![BU of 7sif by Molmil](/molmil-images/mine/7sif) | Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ... | Authors: | Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M. | Deposit date: | 2021-10-14 | Release date: | 2022-11-23 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Molecular insights into the HLA-B35 molecules' classification associated with HIV control. Immunol.Cell.Biol., 102, 2024
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5MLY
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![BU of 5mly by Molmil](/molmil-images/mine/5mly) | Closed loop conformation of PhaZ7 Y105E mutant | Descriptor: | PHB depolymerase PhaZ7 | Authors: | Kellici, T, Mavromoustakos, T, Jendrossek, D, Papageorgiou, A.C. | Deposit date: | 2016-12-08 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.598 Å) | Cite: | Crystal structure analysis, covalent docking, and molecular dynamics calculations reveal a conformational switch in PhaZ7 PHB depolymerase. Proteins, 85, 2017
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6BES
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![BU of 6bes by Molmil](/molmil-images/mine/6bes) | Solution structure of de novo macrocycle design11_ss | Descriptor: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6S07
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![BU of 6s07 by Molmil](/molmil-images/mine/6s07) | Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen. | Descriptor: | Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ... | Authors: | Leisinger, F, Miarzlou, D.A, Seebeck, F.P. | Deposit date: | 2019-06-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen. Chem Sci, 10, 2019
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6XRQ
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![BU of 6xrq by Molmil](/molmil-images/mine/6xrq) | Structural descriptions of ligand interactions to DNA and RNA quadruplexes folded from the non-coding region of Pseudorabies virus | Descriptor: | 2,7-bis[3-(morpholin-4-yl)propyl]-4,9-bis{[3-(morpholin-4-yl)propyl]amino}benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, POTASSIUM ION, RNA (5' GP*GP*CP*UP*CP*GP*GP*CP*GP*GP*CP*GP*GP*A-3') | Authors: | Zhang, Y.S, Parkinson, G.N, Wei, D.G. | Deposit date: | 2020-07-13 | Release date: | 2021-07-28 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Structural descriptions of ligand interactions to RNA quadruplexes folded from the non-coding region of Pseudorabies virus. Biochimie, 2024
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8CPH
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![BU of 8cph by Molmil](/molmil-images/mine/8cph) | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form) | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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7NLC
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![BU of 7nlc by Molmil](/molmil-images/mine/7nlc) | Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide | Descriptor: | AMMONIUM ION, CHLORIDE ION, Protein ORF3, ... | Authors: | Moschidi, D, Dupre, E, Villeret, V, Hanoulle, X. | Deposit date: | 2021-02-22 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.398 Å) | Cite: | Crystallographic structure of human Tsg101 UEV domain in complex with a HEV ORF3 peptide To Be Published
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8CPI
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![BU of 8cpi by Molmil](/molmil-images/mine/8cpi) | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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8CPJ
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![BU of 8cpj by Molmil](/molmil-images/mine/8cpj) | Crystal structure of PPAR gamma (PPARG) in an inactive form | Descriptor: | 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-03-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation. J.Am.Chem.Soc., 145, 2023
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5KAJ
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![BU of 5kaj by Molmil](/molmil-images/mine/5kaj) | Crystal structure of a dioxygenase in the Crotonase superfamily in P21, A319C mutant | Descriptor: | (3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | Authors: | Li, K, Fielding, E.N, Condurso, H.L, Bruner, S.D. | Deposit date: | 2016-06-01 | Release date: | 2017-06-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.681 Å) | Cite: | Probing the structural basis of oxygen binding in a cofactor-independent dioxygenase. Acta Crystallogr D Struct Biol, 73, 2017
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6F77
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![BU of 6f77 by Molmil](/molmil-images/mine/6f77) | Crystal structure of the prephenate aminotransferase from Rhizobium meliloti | Descriptor: | Aspartate aminotransferase A, PYRIDOXAL-5'-PHOSPHATE | Authors: | Cobessi, D, Giustini, C, Graindorge, M, Matringe, M. | Deposit date: | 2017-12-07 | Release date: | 2019-03-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Tyrosine metabolism: identification of a key residue in the acquisition of prephenate aminotransferase activity by 1 beta aspartate aminotransferase. Febs J., 286, 2019
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6UZO
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7NAZ
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![BU of 7naz by Molmil](/molmil-images/mine/7naz) | TPR-rich domain of EccA3 from M. smegmatis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ESX-3 secretion system protein EccA3, GLYCEROL, ... | Authors: | Crosskey, T.D, Wilmanns, M. | Deposit date: | 2021-01-25 | Release date: | 2022-03-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of TPR-rich domain of M. smegmatis EccA3 To Be Published
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8CAI
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![BU of 8cai by Molmil](/molmil-images/mine/8cai) | Streptomycin and Hygromycin B bound to the 30S body | Descriptor: | 16S rRNA, 30S ribosomal protein S16, 30S ribosomal protein S2, ... | Authors: | Paternoga, H, Crowe-McAuliffe, C, Novacek, J, Wilson, D.N. | Deposit date: | 2023-01-24 | Release date: | 2023-07-26 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.08 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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5CMN
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![BU of 5cmn by Molmil](/molmil-images/mine/5cmn) | FLRT3 LRR domain in complex with LPHN3 Olfactomedin domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Latrophilin-3, ... | Authors: | Lu, Y, Salzman, G, Arac, D. | Deposit date: | 2015-07-17 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.605 Å) | Cite: | Structural Basis of Latrophilin-FLRT-UNC5 Interaction in Cell Adhesion. Structure, 23, 2015
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8CAZ
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![BU of 8caz by Molmil](/molmil-images/mine/8caz) | empty 30S head | Descriptor: | 16S rRNA, 30S ribosomal protein S2, 30S ribosomal protein S7, ... | Authors: | Paternoga, H, Beckert, B, Wilson, D.N. | Deposit date: | 2023-01-24 | Release date: | 2023-07-26 | Last modified: | 2023-09-20 | Method: | ELECTRON MICROSCOPY (2.11 Å) | Cite: | Structural conservation of antibiotic interaction with ribosomes. Nat.Struct.Mol.Biol., 30, 2023
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6B40
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![BU of 6b40 by Molmil](/molmil-images/mine/6b40) | BbRAGL-3'TIR synaptic complex with nicked DNA refined with C2 symmetry | Descriptor: | 31TIR intact strand, 31TIR pre-nicked strand of flanking DNA, 31TIR pre-nicked strand of signal DNA, ... | Authors: | Zhang, Y, Cheng, T.C, Xiong, Y, Schatz, D.G. | Deposit date: | 2017-09-25 | Release date: | 2019-03-20 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Transposon molecular domestication and the evolution of the RAG recombinase. Nature, 569, 2019
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