2YGA
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![BU of 2yga by Molmil](/molmil-images/mine/2yga) | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | Deposit date: | 2011-04-12 | Release date: | 2011-11-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90. Faseb J., 25, 2011
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9BOR
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![BU of 9bor by Molmil](/molmil-images/mine/9bor) | IkappaBzeta ankyrin repeat domain:NF-kappaB p50 homodimer complex at 2.0 Angstrom resolution | Descriptor: | (2R,3S)-heptane-1,2,3-triol, NF-kappa-B inhibitor zeta, Nuclear factor NF-kappa-B p50 subunit | Authors: | Rogers, W.E, Zhu, N, Huxford, T. | Deposit date: | 2024-05-05 | Release date: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Structural and biochemical analyses of the nuclear I kappa B zeta protein in complex with the NF-kappa B p50 homodimer. Genes Dev., 38, 2024
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2QGE
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1MNP
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![BU of 1mnp by Molmil](/molmil-images/mine/1mnp) | MANGANESE PEROXIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE (II) ION, ... | Authors: | Sundaramoorthy, M, Poulos, T.L. | Deposit date: | 1995-01-27 | Release date: | 1995-09-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preliminary crystallographic analysis of manganese peroxidase from Phanerochaete chrysosporium. J.Mol.Biol., 238, 1994
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2YPP
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![BU of 2ypp by Molmil](/molmil-images/mine/2ypp) | 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase in complex with 3 tyrosine molecules | Descriptor: | CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Blackmore, N.J, Reichau, S, Jiao, W, Hutton, R.D, Baker, E.N, Jameson, G.B, Parker, E.J. | Deposit date: | 2012-10-31 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Three Sites and You are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis. J.Mol.Biol., 425, 2013
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2QGB
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![BU of 2qgb by Molmil](/molmil-images/mine/2qgb) | Human transthyretin (TTR) in Apo-form | Descriptor: | Transthyretin | Authors: | Connelly, S, Wilson, I.A. | Deposit date: | 2007-06-28 | Release date: | 2008-02-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors. J.Med.Chem., 51, 2008
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2QGC
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4OIZ
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![BU of 4oiz by Molmil](/molmil-images/mine/4oiz) | Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis | Descriptor: | LysM domain protein, methyl alpha-D-mannopyranoside | Authors: | Patra, D, Mishra, P, Surolia, A, Vijayan, M. | Deposit date: | 2014-01-20 | Release date: | 2014-07-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure, interactions and evolutionary implications of a domain-swapped lectin dimer from Mycobacterium smegmatis. Glycobiology, 24, 2014
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2ZCY
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![BU of 2zcy by Molmil](/molmil-images/mine/2zcy) | yeast 20S proteasome:syringolin A-complex | Descriptor: | (2S)-2-[[(2S)-1-[[(5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxo-butan-2-yl]carbamoylamino]-3-methyl-butanoic acid, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Dudler, R, Kaiser, M. | Deposit date: | 2007-11-15 | Release date: | 2008-04-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A plant pathogen virulence factor inhibits the eukaryotic proteasome by a novel mechanism Nature, 452, 2008
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5VPS
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![BU of 5vps by Molmil](/molmil-images/mine/5vps) | Crystal structure of an SDR from Burkholderia ambifaria in complex with NADPH with a TCEP adduct | Descriptor: | 1,2-ETHANEDIOL, Short-chain dehydrogenase/reductase SDR, [(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]piperidin-4-yl]-tris(3-hydroxy-3-oxopropyl)phosphanium | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2017-05-05 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Cautionary Tale of Using Tris(alkyl)phosphine Reducing Agents with NAD+-Dependent Enzymes. Biochemistry, 2020
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4PCS
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![BU of 4pcs by Molmil](/molmil-images/mine/4pcs) | Crystal structure of a bacterial fucosidase with iminosugar (2S,3S,4R,5S)-3,4-dihydroxy-2-[2'-phenyl]ethynyl-5-methylpyrrolidine | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | Authors: | Davies, G.J, Wright, D.W, Behr, J.B. | Deposit date: | 2014-04-16 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars. Chembiochem, 16, 2015
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5W1D
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1CR7
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![BU of 1cr7 by Molmil](/molmil-images/mine/1cr7) | PEANUT LECTIN-LACTOSE COMPLEX MONOCLINIC FORM | Descriptor: | CALCIUM ION, LECTIN, MANGANESE (II) ION, ... | Authors: | Ravishankar, R, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 1999-08-14 | Release date: | 2001-04-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of the peanut lectin-lactose complex at acidic pH: retention of unusual quaternary structure, empty and carbohydrate bound combining sites, molecular mimicry and crystal packing directed by interactions at the combining site. Proteins, 43, 2001
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4PCT
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![BU of 4pct by Molmil](/molmil-images/mine/4pct) | Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine | Descriptor: | (2S,3S,4R,5S)-2-ethynyl-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | Authors: | Wright, D.W, Davies, G.J. | Deposit date: | 2014-04-16 | Release date: | 2014-07-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars. Chembiochem, 16, 2015
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5TPK
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6E97
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1W22
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![BU of 1w22 by Molmil](/molmil-images/mine/1w22) | Crystal structure of inhibited human HDAC8 | Descriptor: | HISTONE DEACETYLASE 8, N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-2-THIENYL]SULFONYL}AMINO)BENZAMIDE, POTASSIUM ION, ... | Authors: | Vannini, A, Volpari, C, Caroli Casavola, E, Di Marco, S. | Deposit date: | 2004-06-25 | Release date: | 2004-09-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of a Eukaryotic Zn-Dependent Histone Deacetylase,Human Hdac8,Complexed with a Hydroxamic Acid Inhibitor Proc.Natl.Acad.Sci.USA, 101, 2004
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4N8D
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![BU of 4n8d by Molmil](/molmil-images/mine/4n8d) | DPP4 complexed with syn-7aa | Descriptor: | 1-(cis-1-phenyl-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}cyclohexyl)methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Ostermann, N, Zink, F, Kroemer, M. | Deposit date: | 2013-10-17 | Release date: | 2014-02-12 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV. Bioorg.Med.Chem.Lett., 24, 2014
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4PEE
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![BU of 4pee by Molmil](/molmil-images/mine/4pee) | Crystal structure of a bacterial fucosidase with inhibitor 1-phenyl-4-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]triazole | Descriptor: | (2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ... | Authors: | Wright, D.W, Davies, G.J, Behr, J.B. | Deposit date: | 2014-04-23 | Release date: | 2014-07-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars. Chembiochem, 16, 2015
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1A4W
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![BU of 1a4w by Molmil](/molmil-images/mine/1a4w) | CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | Authors: | Matthews, J.H, Krishnan, R, Costanzo, M.J, Maryanoff, B.E, Tulinsky, A. | Deposit date: | 1998-02-06 | Release date: | 1998-04-29 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of thrombin with thiazole-containing inhibitors: probes of the S1' binding site. Biophys.J., 71, 1996
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1A41
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![BU of 1a41 by Molmil](/molmil-images/mine/1a41) | TYPE 1-TOPOISOMERASE CATALYTIC FRAGMENT FROM VACCINIA VIRUS | Descriptor: | SULFATE ION, TOPOISOMERASE I | Authors: | Cheng, C, Kussie, P, Pavletich, N, Shuman, S. | Deposit date: | 1998-02-10 | Release date: | 1999-06-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Conservation of structure and mechanism between eukaryotic topoisomerase I and site-specific recombinases. Cell(Cambridge,Mass.), 92, 1998
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6LBE
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2IG2
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![BU of 2ig2 by Molmil](/molmil-images/mine/2ig2) | DIR PRIMAERSTRUKTUR DES KRISTALLISIERBAREN MONOKLONALEN IMMUNOGLOBULINS IGG1 KOL. II. AMINOSAEURESEQUENZ DER L-KETTE, LAMBDA-TYP, SUBGRUPPE I (GERMAN) | Descriptor: | IGG1-LAMBDA KOL FAB (HEAVY CHAIN), IGG1-LAMBDA KOL FAB (LIGHT CHAIN) | Authors: | Marquart, M, Huber, R. | Deposit date: | 1989-04-18 | Release date: | 1989-07-12 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The primary structure of crystallizable monoclonal immunoglobulin IgG1 Kol. II. Amino acid sequence of the L-chain, gamma-type, subgroup I Biol.Chem.Hoppe-Seyler, 370, 1989
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6AY9
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![BU of 6ay9 by Molmil](/molmil-images/mine/6ay9) | Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide | Descriptor: | CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ... | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | Deposit date: | 2017-09-07 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization. Nat Commun, 14, 2023
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4AIF
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![BU of 4aif by Molmil](/molmil-images/mine/4aif) | AIP TPR domain in complex with human Hsp90 peptide | Descriptor: | AH RECEPTOR-INTERACTING PROTEIN, HEAT SHOCK PROTEIN HSP 90-ALPHA, SULFATE ION | Authors: | Morgan, R.M.L, Roe, S.M, Pearl, L.H, Prodromou, C. | Deposit date: | 2012-02-09 | Release date: | 2013-01-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.006 Å) | Cite: | Structure of the Tpr Domain of Aip: Lack of Client Protein Interaction with the C-Terminal Alpha-7 Helix of the Tpr Domain of Aip is Sufficient for Pituitary Adenoma Predisposition. Plos One, 7, 2012
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