4GK9
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![BU of 4gk9 by Molmil](/molmil-images/mine/4gk9) | Crystal structure of Burkholderia oklahomensis agglutinin (BOA) bound to 3a,6a-mannopentaose | Descriptor: | IMIDAZOLE, SODIUM ION, agglutinin (BOA), ... | Authors: | Whitley, M.J, Furey, W, Gronenborn, A.M. | Deposit date: | 2012-08-10 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity. Febs J., 280, 2013
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6E5A
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![BU of 6e5a by Molmil](/molmil-images/mine/6e5a) | PPARg in complex with compound 4b | Descriptor: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, Peroxisome proliferator-activated receptor gamma | Authors: | Bruning, J.B, Chua, B.S.K. | Deposit date: | 2018-07-19 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Shooting three inflammatory targets with a single bullet: Novel multi-targeting anti-inflammatory glitazones. Eur J Med Chem, 167, 2019
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1BJI
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![BU of 1bji by Molmil](/molmil-images/mine/1bji) | |
6CE6
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![BU of 6ce6 by Molmil](/molmil-images/mine/6ce6) | Structure of HDAC6 zinc-finger ubiquitin binding domain soaked with 3,3'-(benzo[1,2-d:5,4-d']bis(thiazole)-2,6-diyl)dipropionic acid | Descriptor: | 3,3'-(benzo[1,2-d:5,4-d']bis[1,3]thiazole-2,6-diyl)dipropanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-02-11 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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3VFB
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![BU of 3vfb by Molmil](/molmil-images/mine/3vfb) | Crystal Structure of HIV-1 Protease Mutant N88D with novel P1'-Ligands GRL-02031 | Descriptor: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl [(1S,2R)-1-benzyl-2-hydroxy-3-([(4-methoxyphenyl)sulfonyl]{[(2R)-5-oxopyrrolidin-2-yl]methyl}amino)propyl]carbamate, CHLORIDE ION, GLYCEROL, ... | Authors: | Yu, X.X, Wang, Y.F, Chang, Y.C.E, Weber, I.T. | Deposit date: | 2012-01-09 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. J.Med.Chem., 55, 2012
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2GNV
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![BU of 2gnv by Molmil](/molmil-images/mine/2gnv) | |
3U05
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![BU of 3u05 by Molmil](/molmil-images/mine/3u05) | Crystal structure of DB1804-D(CGCGAATTCGCG)2 complex | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-[4'-(1,4,5,6-tetrahydropyrimidin-2-yl)biphenyl-4-yl]-1H-indole, MAGNESIUM ION | Authors: | Wei, D.G, Neidle, S. | Deposit date: | 2011-09-28 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster. J.Am.Chem.Soc., 135, 2013
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4ERE
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![BU of 4ere by Molmil](/molmil-images/mine/4ere) | crystal structure of MDM2 (17-111) in complex with compound 23 | Descriptor: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-tert-butoxy-1-oxobutan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxopiperidin-3-yl]acetic acid | Authors: | Huang, X. | Deposit date: | 2012-04-20 | Release date: | 2012-05-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based design of novel inhibitors of the MDM2-p53 interaction. J.Med.Chem., 55, 2012
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1HON
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![BU of 1hon by Molmil](/molmil-images/mine/1hon) | STRUCTURE OF GUANINE NUCLEOTIDE (GPPCP) COMPLEX OF ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI AT PH 6.5 AND 25 DEGREE CELSIUS | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, AMINOPHOSPHONIC ACID-GUANYLATE ESTER | Authors: | Poland, B.W, Hou, Z, Bruns, C, Fromm, H.J, Honzatko, R.B. | Deposit date: | 1996-04-26 | Release date: | 1996-11-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Refined crystal structures of guanine nucleotide complexes of adenylosuccinate synthetase from Escherichia coli. J.Biol.Chem., 271, 1996
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2OGB
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![BU of 2ogb by Molmil](/molmil-images/mine/2ogb) | Crystal structure of the C-terminal domain of mouse Nrdp1 | Descriptor: | GLYCEROL, RING finger protein 41, THIOCYANATE ION | Authors: | Bouyain, S, Leahy, D.J. | Deposit date: | 2007-01-05 | Release date: | 2007-01-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based mutagenesis of the substrate-recognition domain of Nrdp1/FLRF identifies the binding site for the receptor tyrosine kinase ErbB3. Protein Sci., 16, 2007
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3U08
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![BU of 3u08 by Molmil](/molmil-images/mine/3u08) | Crystal structure of DB1963-D(CGCGAATTCGCG)2 complex at 1.25 A resolution | Descriptor: | 4'-(5-carbamimidoyl-1H-benzimidazol-2-yl)biphenyl-4-carboxamide, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION | Authors: | Wei, D.G, Neidle, S. | Deposit date: | 2011-09-28 | Release date: | 2012-09-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Small-molecule binding to the DNA minor groove is mediated by a conserved water cluster. J.Am.Chem.Soc., 135, 2013
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2IIE
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![BU of 2iie by Molmil](/molmil-images/mine/2iie) | single chain Integration Host Factor protein (scIHF2) in complex with DNA | Descriptor: | DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ... | Authors: | Bao, Q, Droege, P, Davey, C.A. | Deposit date: | 2006-09-28 | Release date: | 2007-02-20 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending J.Mol.Biol., 367, 2007
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2IMO
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![BU of 2imo by Molmil](/molmil-images/mine/2imo) | |
2IN9
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![BU of 2in9 by Molmil](/molmil-images/mine/2in9) | crystal structure of Mtu recA intein, splicing domain | Descriptor: | Endonuclease PI-MtuI, SULFATE ION | Authors: | Van Roey, P. | Deposit date: | 2006-10-06 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue. J.Mol.Biol., 367, 2007
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2IIF
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![BU of 2iif by Molmil](/molmil-images/mine/2iif) | single chain Integration Host Factor mutant protein (scIHF2-K45aE) in complex with DNA | Descriptor: | DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ... | Authors: | Bao, Q, Droege, P, Davey, C.A. | Deposit date: | 2006-09-28 | Release date: | 2007-02-20 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending J.Mol.Biol., 367, 2007
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1LI2
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![BU of 1li2 by Molmil](/molmil-images/mine/1li2) | T4 Lysozyme Mutant L99A/M102Q Bound by Phenol | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ... | Authors: | Wei, B.Q, Baase, W.A, Weaver, L.H, Matthews, B.W, Shoichet, B.K. | Deposit date: | 2002-04-17 | Release date: | 2002-05-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Model Binding Site for Testing Scoring Functions in Molecular Docking J.Mol.Biol., 322, 2002
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2IP2
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![BU of 2ip2 by Molmil](/molmil-images/mine/2ip2) | |
2ID5
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![BU of 2id5 by Molmil](/molmil-images/mine/2id5) | Crystal Structure of the Lingo-1 Ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine rich repeat neuronal 6A, ... | Authors: | Mosyak, L, Wood, A, Dwyer, B, Johnson, M, Stahl, M.L, Somers, W.S. | Deposit date: | 2006-09-14 | Release date: | 2006-09-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition. J.Biol.Chem., 281, 2006
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5W21
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![BU of 5w21 by Molmil](/molmil-images/mine/5w21) | Crystal Structure of a 1:1:1 FGF23-FGFR1c-aKlotho Ternary Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fibroblast growth factor 23, Fibroblast growth factor receptor 1, ... | Authors: | Mohammadi, M. | Deposit date: | 2017-06-05 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | alpha-Klotho is a non-enzymatic molecular scaffold for FGF23 hormone signalling. Nature, 553, 2018
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8CGN
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![BU of 8cgn by Molmil](/molmil-images/mine/8cgn) | Non-rotated 80S S. cerevisiae ribosome with ligands | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | Authors: | Milicevic, N, Jenner, L, Myasnikov, A, Yusupov, M, Yusupova, G. | Deposit date: | 2023-02-06 | Release date: | 2023-09-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.28 Å) | Cite: | mRNA reading frame maintenance during eukaryotic ribosome translocation. Nature, 625, 2024
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5WPT
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![BU of 5wpt by Molmil](/molmil-images/mine/5wpt) | Cryo-EM structure of mammalian endolysosomal TRPML1 channel in nanodiscs in closed II conformation at 3.75 Angstrom resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION | Authors: | Chen, Q, She, J, Guo, J, Bai, X, Jiang, Y. | Deposit date: | 2017-08-07 | Release date: | 2017-10-18 | Last modified: | 2023-04-05 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Structure of mammalian endolysosomal TRPML1 channel in nanodiscs. Nature, 550, 2017
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2IN8
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![BU of 2in8 by Molmil](/molmil-images/mine/2in8) | crystal structure of Mtu recA intein, splicing domain | Descriptor: | Endonuclease PI-MtuI, SULFATE ION | Authors: | Van Roey, P. | Deposit date: | 2006-10-06 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystallographic and mutational studies of Mycobacterium tuberculosis recA mini-inteins suggest a pivotal role for a highly conserved aspartate residue. J.Mol.Biol., 367, 2007
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4NRG
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![BU of 4nrg by Molmil](/molmil-images/mine/4nrg) | |
2IY8
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![BU of 2iy8 by Molmil](/molmil-images/mine/2iy8) | Crystal structure of the sialyltransferase PM0188 with CMP-3FNeuAc and lactose | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, PROTEIN PM0188, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Kim, D.U, Cho, H.S. | Deposit date: | 2006-07-13 | Release date: | 2007-09-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of sialyltransferase PM0188 from Pasteurella multocida complexed with donor analogue and acceptor sugar. Bmb Rep, 41, 2008
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1MNG
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![BU of 1mng by Molmil](/molmil-images/mine/1mng) | STRUCTURE-FUNCTION IN E. COLI IRON SUPEROXIDE DISMUTASE: COMPARISONS WITH THE MANGANESE ENZYME FROM T. THERMOPHILUS | Descriptor: | AZIDE ION, MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE | Authors: | Lah, M.S, Dixon, M, Pattridge, K.A, Stallings, W.C, Fee, J.A, Ludwig, M.L. | Deposit date: | 1994-07-13 | Release date: | 1994-10-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-function in Escherichia coli iron superoxide dismutase: comparisons with the manganese enzyme from Thermus thermophilus. Biochemistry, 34, 1995
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