2EW4
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![BU of 2ew4 by Molmil](/molmil-images/mine/2ew4) | Solution structure of MrIA | Descriptor: | MrIA | Authors: | Nilsson, K.P, Lovelace, E.S, Caesar, C.E, Tynngard, N, Alewood, P.F, Johansson, H.M, Sharpe, I.A, Lewis, R.J, Daly, N.L, Craik, D.J. | Deposit date: | 2005-11-02 | Release date: | 2005-11-15 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Solution structure of chi-conopeptide MrIA, a modulator of the human norepinephrine transporter Biopolymers, 80, 2005
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4KFN
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![BU of 4kfn by Molmil](/molmil-images/mine/4kfn) | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-04-27 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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2F6J
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4MDT
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![BU of 4mdt by Molmil](/molmil-images/mine/4mdt) | Structure of LpxC bound to the reaction product UDP-(3-O-(R-3-hydroxymyristoyl))-glucosamine | Descriptor: | PHOSPHATE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ZINC ION, ... | Authors: | Clayton, G.M, Klein, D.J, Rickert, K.W, Patel, S.B, Kornienko, M, Zugay-Murphy, J, Reid, J.C, Tummala, S, Sharma, S, Singh, S.B, Miesel, L, Lumb, K.J, Soisson, S.M. | Deposit date: | 2013-08-23 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structure of the Bacterial Deacetylase LpxC Bound to the Nucleotide Reaction Product Reveals Mechanisms of Oxyanion Stabilization and Proton Transfer. J.Biol.Chem., 288, 2013
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4MEL
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![BU of 4mel by Molmil](/molmil-images/mine/4mel) | Crystal Structure of the human USP11 DUSP-UBL domains | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.899 Å) | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains. Biochemistry, 53, 2014
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4M11
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![BU of 4m11 by Molmil](/molmil-images/mine/4m11) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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2H6Q
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![BU of 2h6q by Molmil](/molmil-images/mine/2h6q) | Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex | Descriptor: | Histone H3 K4-Me3 9-residue peptide, WD-repeat protein 5 | Authors: | Ruthenburg, A.J, Wang, W.-K, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | Deposit date: | 2006-06-01 | Release date: | 2006-07-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex. Nat.Struct.Mol.Biol., 13, 2006
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2GKU
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![BU of 2gku by Molmil](/molmil-images/mine/2gku) | Monomeric human telomere DNA tetraplex with 3+1 strand fold topology, two edgewise loops and double-chain reversal loop, NMR, 12 structures | Descriptor: | Human telomere DNA | Authors: | Luu, K.N, Phan, A.T, Kuryavyi, V.V, Lacroix, L, Patel, D.J. | Deposit date: | 2006-04-03 | Release date: | 2006-08-15 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the human telomere in k(+) solution: an intramolecular (3 + 1) g-quadruplex scaffold. J.Am.Chem.Soc., 128, 2006
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2I13
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![BU of 2i13 by Molmil](/molmil-images/mine/2i13) | Aart, a six finger zinc finger designed to recognize ANN triplets | Descriptor: | 5'-D(*CP*AP*GP*AP*TP*GP*TP*AP*GP*GP*GP*AP*AP*AP*AP*GP*CP*CP*CP*GP*GP*G)-3', 5'-D(*GP*CP*CP*CP*GP*GP*GP*CP*TP*TP*TP*TP*CP*CP*CP*TP*AP*CP*AP*TP*CP*T)-3', Aart, ... | Authors: | Horton, N.C, Segal, D.J, Bhakta, M, Crotty, J.W, Barbas III, C.F. | Deposit date: | 2006-08-12 | Release date: | 2006-10-03 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure of Aart, a Designed Six-finger Zinc Finger Peptide, Bound to DNA. J.Mol.Biol., 363, 2006
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2I1G
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![BU of 2i1g by Molmil](/molmil-images/mine/2i1g) | DPC micelle-bound NMR structures of Tritrp5 | Descriptor: | 13-mer analogue of Prophenin-1 containing WWW | Authors: | Schibli, D.J, Nguyen, L.T. | Deposit date: | 2006-08-14 | Release date: | 2006-11-28 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of tritrpticin analogs: potential relationships between antimicrobial activities, model membrane interactions, and their micelle-bound NMR structures Biophys.J., 91, 2006
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4I4F
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![BU of 4i4f by Molmil](/molmil-images/mine/4i4f) | Structure of Focal Adhesion Kinase catalytic domain in complex with an allosteric binding pyrazolobenzothiazine compound. | Descriptor: | Focal adhesion kinase 1, ISOPROPYL ALCOHOL, N-(4-tert-butylbenzyl)-1,5-dimethyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-8-amine 4,4-dioxide | Authors: | Skene, R.J, Hosfield, D.J. | Deposit date: | 2012-11-27 | Release date: | 2013-02-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-based discovery of cellular-active allosteric inhibitors of FAK. Bioorg.Med.Chem.Lett., 23, 2013
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2I1I
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![BU of 2i1i by Molmil](/molmil-images/mine/2i1i) | DPC micelle-bound NMR structures of Tritrp8 | Descriptor: | 13-mer analogue of Prophenin-1 containing WWW | Authors: | Schibli, D.J, Nguyen, L.T. | Deposit date: | 2006-08-14 | Release date: | 2006-11-28 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of tritrpticin analogs: potential relationships between antimicrobial activities, model membrane interactions, and their micelle-bound NMR structures Biophys.J., 91, 2006
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2I03
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![BU of 2i03 by Molmil](/molmil-images/mine/2i03) | Crystal structure of human dipeptidyl peptidase 4 (DPP IV) with potent alkynyl cyanopyrrolidine (ABT-279) | Descriptor: | 2-[4-({2-[(2S,5R)-2-(AMINOMETHYL)-5-ETHYNYLPYRROLIDIN-1-YL]-2-OXOETHYL}AMINO)-4-METHYLPIPERIDIN-1-YL]ISONICOTINIC ACID, Dipeptidyl peptidase 4 | Authors: | Longenecker, K.L, Madar, D.J. | Deposit date: | 2006-08-09 | Release date: | 2006-12-12 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of 2-[4-{{2-(2S,5R)-2-cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl]amino]- 4-methyl-1-piperidinyl]-4-pyridinecarboxylic acid (ABT-279): a very potent, selective, effective, and well-tolerated inhibitor of dipeptidyl peptidase-IV, useful for the treatment of diabetes. J.Med.Chem., 49, 2006
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2GJX
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![BU of 2gjx by Molmil](/molmil-images/mine/2gjx) | Crystallographic structure of human beta-Hexosaminidase A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase alpha chain, ... | Authors: | Lemieux, M.J, Mark, B.L, Cherney, M.M, Withers, S.G, Mahuran, D.J, James, M.N.G. | Deposit date: | 2006-03-31 | Release date: | 2006-06-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystallographic structure of human beta-Hexosaminidase A: Interpretation of Tay-Sachs Mutations and Loss
of GM2 Ganglioside Hydrolysis J.Mol.Biol., 359, 2006
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4M10
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![BU of 4m10 by Molmil](/molmil-images/mine/4m10) | Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... | Authors: | Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. | Deposit date: | 2013-08-02 | Release date: | 2014-01-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
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4MAD
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![BU of 4mad by Molmil](/molmil-images/mine/4mad) | Crystal structure of beta-galactosidase C (BgaC) from Bacillus circulans ATCC 31382 | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Beta-galactosidase | Authors: | Kamerke, C, You, D.J, Kanaya, S, Elling, L. | Deposit date: | 2013-08-16 | Release date: | 2014-08-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rational design of a glycosynthase by the crystal structure of beta-galactosidase from Bacillus circulans (BgaC) and its use for the synthesis of N-acetyllactosamine type 1 glycan structures. J.Biotechnol., 191, 2014
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4MEM
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![BU of 4mem by Molmil](/molmil-images/mine/4mem) | Crystal Structure of the rat USP11 DUSP-UBL domains | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 11 | Authors: | Harper, S, Gratton, H.E, Cornaciu, I, Oberer, M, Scott, D.J, Emsley, J, Dreveny, I. | Deposit date: | 2013-08-27 | Release date: | 2014-05-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure and Catalytic Regulatory Function of Ubiquitin Specific Protease 11 N-Terminal and Ubiquitin-like Domains. Biochemistry, 53, 2014
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4MES
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2I1E
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![BU of 2i1e by Molmil](/molmil-images/mine/2i1e) | DPC micelle-bound NMR structures of Tritrp2 | Descriptor: | 13-mer analogue of Prophenin-1 containing WWW | Authors: | Schibli, D.J, Nguyen, L.T. | Deposit date: | 2006-08-14 | Release date: | 2006-11-28 | Last modified: | 2020-06-24 | Method: | SOLUTION NMR | Cite: | Structure-function analysis of tritrpticin analogs: potential relationships between antimicrobial activities, model membrane interactions, and their micelle-bound NMR structures Biophys.J., 91, 2006
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4KFO
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![BU of 4kfo by Molmil](/molmil-images/mine/4kfo) | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-04-27 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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4KBR
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2IHE
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![BU of 2ihe by Molmil](/molmil-images/mine/2ihe) | Crystal structure of wild-type single-stranded DNA binding protein from Thermus aquaticus | Descriptor: | Single-stranded DNA-binding protein | Authors: | Fedorov, R, Witte, G, Urbanke, C, Manstein, D.J, Curth, U. | Deposit date: | 2006-09-26 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3D structure of Thermus aquaticus single-stranded DNA-binding protein gives insight into the functioning of SSB proteins. Nucleic Acids Res., 34, 2006
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4LOI
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![BU of 4loi by Molmil](/molmil-images/mine/4loi) | Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p] | Descriptor: | 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, PHOSPHATE ION, Stimulator of interferon genes protein | Authors: | Gao, P, Patel, D.J. | Deposit date: | 2013-07-12 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA. Cell(Cambridge,Mass.), 154, 2013
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4LOK
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![BU of 4lok by Molmil](/molmil-images/mine/4lok) | Crystal structure of mSting in complex with c[G(3',5')pA(3',5')p] | Descriptor: | 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein | Authors: | Gao, P, Patel, D.J. | Deposit date: | 2013-07-12 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA. Cell(Cambridge,Mass.), 154, 2013
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2GBR
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![BU of 2gbr by Molmil](/molmil-images/mine/2gbr) | Crystal Structure of the 35-36 MoaD Insertion Mutant of Ubiquitin | Descriptor: | CADMIUM ION, Ubiquitin | Authors: | Ferraro, D.M, Ferraro, D.J, Ramaswamy, S, Robertson, A.D. | Deposit date: | 2006-03-10 | Release date: | 2006-05-16 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of Ubiquitin Insertion Mutants Support Site-specific Reflex Response to Insertions Hypothesis. J.Mol.Biol., 359, 2006
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