2LJ9
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3RGG
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3SYR
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![BU of 3syr by Molmil](/molmil-images/mine/3syr) | Glycogen phosphorylase b in complex with beta-D-glucopyranonucleoside 5-fluorouracil | Descriptor: | 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Skamnaki, V.T, Kantsadi, A.L, Kontou, M, Leonidas, D.D. | Deposit date: | 2011-07-18 | Release date: | 2012-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why. Chem.Biol.Drug Des., 79, 2012
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3RG8
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![BU of 3rg8 by Molmil](/molmil-images/mine/3rg8) | Crystal structure of Treponema denticola PurE | Descriptor: | 1,2-ETHANEDIOL, Phosphoribosylaminoimidazole carboxylase, PurE protein | Authors: | Mathews, I.I, Starks, C.M, Kappock, T.J. | Deposit date: | 2011-04-07 | Release date: | 2011-05-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Treponema denticola PurE Is a Bacterial AIR Carboxylase. Biochemistry, 50, 2011
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3SYM
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![BU of 3sym by Molmil](/molmil-images/mine/3sym) | Glycogen Phosphorylase b in complex with 3 -C-(hydroxymethyl)-beta-D-glucopyranonucleoside of 5-fluorouracil | Descriptor: | 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form | Authors: | Skamnaki, V.T, Katsandi, A.L, Kontou, M, Leonidas, D.D. | Deposit date: | 2011-07-18 | Release date: | 2012-02-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why. Chem.Biol.Drug Des., 79, 2012
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7SSE
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![BU of 7sse by Molmil](/molmil-images/mine/7sse) | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2021-11-10 | Release date: | 2021-12-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets. J.Chem.Inf.Model., 63, 2023
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6G0X
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![BU of 6g0x by Molmil](/molmil-images/mine/6g0x) | TAILSPIKE PROTEIN OF E. COLI BACTERIOPHAGE HK620 IN COMPLEX WITH PENTASACCHARIDE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Seckler, R, Barbirz, S. | Deposit date: | 2018-03-20 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Solvent Networks Tune Thermodynamics of Oligosaccharide Complex Formation in an Extended Protein Binding Site. J. Am. Chem. Soc., 140, 2018
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6S2X
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![BU of 6s2x by Molmil](/molmil-images/mine/6s2x) | Crystal structure of the Legionella pneumophila ChiA C-terminal domain | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ChiA | Authors: | Garnett, J.A, Shaw, R. | Deposit date: | 2019-06-23 | Release date: | 2020-04-22 | Last modified: | 2020-05-13 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure and functional analysis of the Legionella pneumophila chitinase ChiA reveals a novel mechanism of metal-dependent mucin degradation. Plos Pathog., 16, 2020
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3F9I
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8EJX
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4L0F
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6GVR
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6GVP
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4L0E
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5M96
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5NUH
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7NGB
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![BU of 7ngb by Molmil](/molmil-images/mine/7ngb) | Structure of Wild-Type Human Potassium Chloride Transporter KCC3 in NaCl (LMNG/CHS) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-02-09 | Release date: | 2021-06-09 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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3DNG
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![BU of 3dng by Molmil](/molmil-images/mine/3dng) | Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor | Descriptor: | (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide, CALCIUM ION, Neutrophil collagenase, ... | Authors: | Pochetti, G, Montanari, R, Mazza, F. | Deposit date: | 2008-07-02 | Release date: | 2009-03-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8) J.Med.Chem., 52, 2009
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3M51
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![BU of 3m51 by Molmil](/molmil-images/mine/3m51) | Structure of the 14-3-3/PMA2 complex stabilized by Pyrrolidone1 | Descriptor: | 14-3-3-like protein C, 2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid, N.plumbaginifolia H+-translocating ATPase mRNA | Authors: | Ottmann, C, Rose, R, Waldmann, H. | Deposit date: | 2010-03-12 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions Angew.Chem.Int.Ed.Engl., 49, 2010
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3M50
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![BU of 3m50 by Molmil](/molmil-images/mine/3m50) | Structure of the 14-3-3/PMA2 complex stabilized by Epibestatin | Descriptor: | 14-3-3-like protein C, N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine, N.plumbaginifolia H+-translocating ATPase mRNA | Authors: | Ottmann, C, Rose, R, Waldmann, H. | Deposit date: | 2010-03-12 | Release date: | 2010-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification and structure of small-molecule stabilizers of 14-3-3 protein-protein interactions Angew.Chem.Int.Ed.Engl., 49, 2010
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4URR
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![BU of 4urr by Molmil](/molmil-images/mine/4urr) | Tailspike protein of Sf6 bacteriophage bound to Shigella flexneri O- antigen octasaccharide fragment | Descriptor: | 1,2-ETHANEDIOL, BIFUNCTIONAL TAIL PROTEIN, MANGANESE (II) ION, ... | Authors: | Gohlke, U, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2014-07-01 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Bacteriophage Tailspikes and Bacterial O-Antigens as a Model System to Study Weak-Affinity Protein-Polysaccharide Interactions. J.Am.Chem.Soc., 138, 2016
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6RLW
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6MBZ
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![BU of 6mbz by Molmil](/molmil-images/mine/6mbz) | Structure of Transcription Factor | Descriptor: | Signal transducer and activator of transcription 5B | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2018-08-30 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.21 Å) | Cite: | Structural and functional consequences of the STAT5BN642Hdriver mutation. Nat Commun, 10, 2019
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6MBW
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![BU of 6mbw by Molmil](/molmil-images/mine/6mbw) | Structure of Transcription Factor | Descriptor: | Signal transducer and activator of transcription 5B | Authors: | Seo, H.-S, Dhe-Paganon, S. | Deposit date: | 2018-08-30 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural and functional consequences of the STAT5BN642H driver mutation. Nat Commun, 10, 2019
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5HZA
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![BU of 5hza by Molmil](/molmil-images/mine/5hza) | Crystal structure of GII.10 P domain in complex with 3-fucosyllactose (3 FL) | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]beta-D-glucopyranose | Authors: | Hansman, G.S, Koromyslova, A.D, Singh, B.K. | Deposit date: | 2016-02-02 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Basis for Norovirus Inhibition by Human Milk Oligosaccharides. J.Virol., 90, 2016
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