7LTG
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![BU of 7ltg by Molmil](/molmil-images/mine/7ltg) | STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN | Descriptor: | (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Beshore, D.C. | Deposit date: | 2021-02-19 | Release date: | 2021-05-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction. Acs Med.Chem.Lett., 12, 2021
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7LTK
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7LTL
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3N1G
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![BU of 3n1g by Molmil](/molmil-images/mine/3n1g) | Crystal structure of DhhN bound to BOCFn3 | Descriptor: | Brother of CDO, CALCIUM ION, Desert hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-15 | Release date: | 2010-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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4AZB
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![BU of 4azb by Molmil](/molmil-images/mine/4azb) | Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH | Descriptor: | 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ... | Authors: | Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2012-06-25 | Release date: | 2013-07-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh. Org.Biomol.Chem., 11, 2013
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3GWX
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![BU of 3gwx by Molmil](/molmil-images/mine/3gwx) | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, PROTEIN (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR-DELTA)) | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Parks, D.J, Blanchard, S.G, Brown, P.J, Sternbach, D.D, Lehmann, J.M, Wisely, G.B, Willson, T.M, Kliewer, S.A, Milburn, M.V. | Deposit date: | 1999-04-26 | Release date: | 2000-04-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors. Mol.Cell, 3, 1999
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7LTO
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![BU of 7lto by Molmil](/molmil-images/mine/7lto) | Nse5-6 complex | Descriptor: | Non-structural maintenance of chromosome element 5, Ubiquitin-like protein SMT3,DNA repair protein KRE29 chimera | Authors: | Yu, Y, Li, S.B, Zheng, S, Tangy, S, Koyi, C, Wan, B.B, Kung, H.H, Andrej, S, Alex, K, Patel, D.J, Zhao, X.L. | Deposit date: | 2021-02-19 | Release date: | 2021-05-19 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Integrative analysis reveals unique structural and functional features of the Smc5/6 complex. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MKK
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7MQQ
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3N1R
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![BU of 3n1r by Molmil](/molmil-images/mine/3n1r) | Crystal Structure of ShhN | Descriptor: | CALCIUM ION, Sonic hedgehog protein, ZINC ION | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-16 | Release date: | 2010-06-02 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal Structure of ShhN TO BE PUBLISHED
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3N4Q
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![BU of 3n4q by Molmil](/molmil-images/mine/3n4q) | Human cytomegalovirus terminase nuclease domain, Mn soaked | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, TERMINASE SUBUNIT UL89 PROTEIN | Authors: | Nadal, M, Mas, P.J, Blanco, A.G, Arnan, C, Sola, M, Hart, D.J, Coll, M. | Deposit date: | 2010-05-22 | Release date: | 2010-10-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure and inhibition of herpesvirus DNA packaging terminase nuclease domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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3IER
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![BU of 3ier by Molmil](/molmil-images/mine/3ier) | Firefly luciferase apo structure (P41 form) with PEG 400 bound | Descriptor: | Luciferin 4-monooxygenase, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Auld, D.S, Thorne, N, Lea, W.A, Maloney, D.J, Shen, M, Raj, G, Thomas, C.J, Simeonov, A, Hanzlik, R.P, Inglese, J. | Deposit date: | 2009-07-23 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular basis for the high-affinity binding and stabilization of firefly luciferase by PTC124. Proc.Natl.Acad.Sci.USA, 107, 2010
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3N1P
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![BU of 3n1p by Molmil](/molmil-images/mine/3n1p) | Crystal Structure of IhhN bound to BOCFn3 | Descriptor: | Brother of CDO, CALCIUM ION, Indian hedgehog protein, ... | Authors: | Kavran, J.M, Leahy, D.J. | Deposit date: | 2010-05-16 | Release date: | 2010-06-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | All mammalian Hedgehog proteins interact with cell adhesion molecule, down-regulated by oncogenes (CDO) and brother of CDO (BOC) in a conserved manner. J.Biol.Chem., 285, 2010
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3IQQ
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![BU of 3iqq by Molmil](/molmil-images/mine/3iqq) | X-ray structure of bovine TRTK12-Ca(2+)-S100B | Descriptor: | CALCIUM ION, Protein S100-B, TRTK12 peptide, ... | Authors: | Charpentier, T.H, Weber, D.J, Toth, E.A. | Deposit date: | 2009-08-20 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | The Effects of CapZ Peptide (TRTK-12) Binding to S100B-Ca(2+) as Examined by NMR and X-ray Crystallography J.Mol.Biol., 396, 2010
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4CZD
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1EBB
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![BU of 1ebb by Molmil](/molmil-images/mine/1ebb) | Bacillus stearothermophilus YhfR | Descriptor: | GLYCEROL, PHOSPHATASE, SULFATE ION | Authors: | Rigden, D.J, Jedrzejas, M.J. | Deposit date: | 2001-07-24 | Release date: | 2002-02-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure and Mechanism of Action of a Cofactor-Dependent Phosphoglycerate Mutase Homolog from Bacillus Stearothermophilus with Broad Specificity Phosphatase Activity. J.Mol.Biol., 315, 2002
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4BTX
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![BU of 4btx by Molmil](/molmil-images/mine/4btx) | Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-isopropylamino-2-phenyl-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone, CALCIUM ION, ... | Authors: | Bligt-Linden, E, Pihlavisto, M, Szatmari, I, Otwinowski, Z, Smith, D.J, Lazar, L, Fulop, F, Salminen, T.A. | Deposit date: | 2013-06-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Novel Pyridazinone Inhibitors for Vascular Adhesion Protein- 1 (Vap-1): Old Target - New Inhibition Mode. J.Med.Chem., 56, 2013
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4BOF
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![BU of 4bof by Molmil](/molmil-images/mine/4bof) | Crystal structure of arginine deiminase from group A streptococcus | Descriptor: | ARGININE DEIMINASE, SULFATE ION, TETRAETHYLENE GLYCOL, ... | Authors: | Henningham, A, Ericsson, D.J, Langer, K, Casey, L, Jovcevski, B, Chhatwal, G.S, Aquilina, J.A, Batzloff, M.R, Kobe, B, Walker, M.J. | Deposit date: | 2013-05-20 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structure-informed design of an enzymatically inactive vaccine component for group A Streptococcus. MBio, 4, 2013
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3HVR
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![BU of 3hvr by Molmil](/molmil-images/mine/3hvr) | Crystal structure of T. thermophilus Argonaute complexed with DNA guide strand and 19-nt RNA target strand with two Mg2+ at the cleavage site | Descriptor: | 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*TP*GP*AP*TP*AP*GP*T)-3', 5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', Argonaute, ... | Authors: | Wang, Y, Li, H, Sheng, G, Patel, D.J. | Deposit date: | 2009-06-16 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.211 Å) | Cite: | Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes. Nature, 461, 2009
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1JWJ
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![BU of 1jwj by Molmil](/molmil-images/mine/1jwj) | Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at Tetrahydrobiopterin Binding Site | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Aoyagi, M, Arvai, A.S, Ghosh, S, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2001-09-04 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structures of tetrahydrobiopterin binding-site mutants of inducible nitric oxide synthase oxygenase dimer and implicated roles of Trp457. Biochemistry, 40, 2001
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3HSL
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![BU of 3hsl by Molmil](/molmil-images/mine/3hsl) | The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi's Sarcoma-Associated Herpesvirus | Descriptor: | ORF59 | Authors: | Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M. | Deposit date: | 2009-06-10 | Release date: | 2009-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus. J.Virol., 83, 2009
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7M7X
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7MU6
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![BU of 7mu6 by Molmil](/molmil-images/mine/7mu6) | Ask1 bound to compound 28 | Descriptor: | 2-methoxy-N-(6-{4-[(2S)-1,1,1-trifluoropropan-2-yl]-4H-1,2,4-triazol-3-yl}pyridin-2-yl)pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Chodaparambil, J.V, Marcotte, D.J. | Deposit date: | 2021-05-14 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.165 Å) | Cite: | Discovery of Potent, Selective, and Brain-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors that Modulate Brain Inflammation In Vivo. J.Med.Chem., 64, 2021
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3HM9
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![BU of 3hm9 by Molmil](/molmil-images/mine/3hm9) | Crystal structure of T. thermophilus Argonaute complexed with DNA guide strand and 19-nt RNA target strand | Descriptor: | 5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3', 5'-R(*UP*AP*UP*AP*CP*AP*AP*CP*CP*UP*AP*CP*UP*AP*CP*CP*UP*CP*G)-3', Argonaute, ... | Authors: | Wang, Y, Li, H, Sheng, G, Patel, D.J. | Deposit date: | 2009-05-28 | Release date: | 2009-10-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes. Nature, 461, 2009
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3HXM
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![BU of 3hxm by Molmil](/molmil-images/mine/3hxm) | Structure of an argonaute complexed with guide DNA and target RNA duplex containing two mismatches. | Descriptor: | Argonaute, DNA (5'-D(P*TP*GP*AP*GP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*TP*AP*TP*AP*GP*T)-3'), MAGNESIUM ION, ... | Authors: | Wang, Y, Li, H, Sheng, G, Patel, D.J. | Deposit date: | 2009-06-21 | Release date: | 2009-10-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Nucleation, propagation and cleavage of target RNAs in Ago silencing complexes. Nature, 461, 2009
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