4ZAA
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![BU of 4zaa by Molmil](/molmil-images/mine/4zaa) | Structure of A. niger Fdc1 in complex with 4-vinyl guaiacol | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, 2-Methoxy-4-vinylphenol, ... | Authors: | Payne, K.A.P, Leys, D. | Deposit date: | 2015-04-13 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.242 Å) | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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5CSJ
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![BU of 5csj by Molmil](/molmil-images/mine/5csj) | S100B-RSK1 crystal structure B | Descriptor: | CALCIUM ION, CHLORIDE ION, Protein S100-B, ... | Authors: | Gogl, G, Nyitray, L. | Deposit date: | 2015-07-23 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of Ribosomal S6 Kinase 1 (RSK1) Inhibition by S100B Protein: MODULATION OF THE EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) SIGNALING CASCADE IN A CALCIUM-DEPENDENT WAY. J.Biol.Chem., 291, 2016
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8BFZ
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![BU of 8bfz by Molmil](/molmil-images/mine/8bfz) | Amyloid-beta 42 filaments extracted from the human brain with Arctic mutation (E22G) of Alzheimer's disease | ABeta42 | Descriptor: | Amyloid-beta precursor protein | Authors: | Yang, Y, Zhang, W.J, Murzin, A.G, Schweighauser, M, Huang, M, Lovestam, S.K.A, Peak-Chew, S.Y, Macdonald, J, Lavenir, I, Ghetti, B, Graff, C, Kumar, A, Nordberg, A, Goedert, M, Scheres, S.H.W. | Deposit date: | 2022-10-27 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cryo-EM structures of amyloid-beta filaments with the Arctic mutation (E22G) from human and mouse brains. Acta Neuropathol, 145, 2023
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8BP2
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![BU of 8bp2 by Molmil](/molmil-images/mine/8bp2) | 2.8A STRUCTURE OF ZOLIFLODACIN WITH S.AUREUS DNA GYRASE AND DNA | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (20-MER), DNA gyrase subunit A, ... | Authors: | Bax, B.D, Morgan, H, Warren, A.J. | Deposit date: | 2022-11-15 | Release date: | 2023-02-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A 2.8 angstrom Structure of Zoliflodacin in a DNA Cleavage Complex with Staphylococcus aureus DNA Gyrase. Int J Mol Sci, 24, 2023
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1UXX
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![BU of 1uxx by Molmil](/molmil-images/mine/1uxx) | CBM6ct from Clostridium thermocellum in complex with xylopentaose | Descriptor: | CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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6HYE
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![BU of 6hye by Molmil](/molmil-images/mine/6hye) | PDX1.2/PDX1.3 complex (PDX1.3:K97A) | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | Deposit date: | 2018-10-20 | Release date: | 2019-04-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse. Acta Crystallogr D Struct Biol, 75, 2019
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5CX8
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![BU of 5cx8 by Molmil](/molmil-images/mine/5cx8) | Structure of RagB, a major immunodominant virulence factor of Porphyromonas gingivalis. | Descriptor: | 3-deoxy-5-O-phosphono-beta-D-ribofuranose, 3-deoxy-beta-D-glucopyranose, 6-O-phosphono-D-tagatose, ... | Authors: | Goulas, T, Garcia-Ferrer, I, Hutcherson, J.A, Potempa, B.A, Potempa, J, Scott, D.A, Gomis-Ruth, F.X. | Deposit date: | 2015-07-28 | Release date: | 2015-10-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of RagB, a major immunodominant outer-membrane surface receptor antigen of Porphyromonas gingivalis. Mol Oral Microbiol, 31, 2016
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5ZJQ
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![BU of 5zjq by Molmil](/molmil-images/mine/5zjq) | Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*GP*AP*TP*TP*TP*AP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*AP*TP*GP*C)-3'), Homeobox protein abdominal-B, ... | Authors: | Baburajendran, N, Zeiske, T, Kaczynska, A, Mann, R, Honig, B, Shapiro, L, Palmer, A.G. | Deposit date: | 2018-03-22 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.443 Å) | Cite: | Intrinsic DNA Shape Accounts for Affinity Differences between Hox-Cofactor Binding Sites. Cell Rep, 24, 2018
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1LND
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![BU of 1lnd by Molmil](/molmil-images/mine/1lnd) | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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4ZA8
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![BU of 4za8 by Molmil](/molmil-images/mine/4za8) | Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid | Descriptor: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, MANGANESE (II) ION, ... | Authors: | Payne, K.A.P, Leys, D. | Deposit date: | 2015-04-13 | Release date: | 2015-06-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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4ZAB
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![BU of 4zab by Molmil](/molmil-images/mine/4zab) | Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic acid | Descriptor: | (2Z)-2-fluoro-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ... | Authors: | Payne, K.A.P, Leys, D. | Deposit date: | 2015-04-13 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition. Nature, 522, 2015
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1LNB
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![BU of 1lnb by Molmil](/molmil-images/mine/1lnb) | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, FE (III) ION, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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1LJ0
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![BU of 1lj0 by Molmil](/molmil-images/mine/1lj0) | Structure of quintuple mutant of the rat outer mitocondrial cytochrome b5. | Descriptor: | Cytochrome B5 outer mitochondrial membrane isoform, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Cowley, A.B, Altuve, A, Kuchment, O, Terzyan, S, Zhang, X.C, Rivera, M, Benson, D. | Deposit date: | 2002-04-18 | Release date: | 2002-11-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Toward engineering the stability and hemin binding properties
of microsomal cytochromes b5 into rat outer mitochondrial cytochrome b5:
Examining the influence of residues 25 and 71. Biochemistry, 41, 2002
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7K60
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![BU of 7k60 by Molmil](/molmil-images/mine/7k60) | |
2OC8
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![BU of 2oc8 by Molmil](/molmil-images/mine/2oc8) | Structure of Hepatitis C Viral NS3 protease domain complexed with NS4A peptide and ketoamide SCH503034 | Descriptor: | BETA-MERCAPTOETHANOL, Hepatitis C virus, ZINC ION, ... | Authors: | Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R.S, Arasappan, A, Bennett, F, Bogen, S.L, Chen, K, Jao, E, Liu, Y.T, Lovey, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V. | Deposit date: | 2006-12-20 | Release date: | 2007-07-31 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization. J.Med.Chem., 50, 2007
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5UYT
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![BU of 5uyt by Molmil](/molmil-images/mine/5uyt) | Crystal structure of ice binding protein from an Antarctic bacterium Flavobacteriaceae | Descriptor: | Ice-binding protein, NITRATE ION | Authors: | Wang, C, Pakhomova, S, Newcomer, M.E, Christner, B.C, Luo, B.-H. | Deposit date: | 2017-02-24 | Release date: | 2017-10-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of antifreeze activity of a bacterial multi-domain antifreeze protein. PLoS ONE, 12, 2017
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5DKR
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![BU of 5dkr by Molmil](/molmil-images/mine/5dkr) | Crystal Structure of Calcium-loaded S100B bound to SBi29 | Descriptor: | 2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide, CALCIUM ION, Protein S100-B | Authors: | Cavalier, M.C, Ansari, M.I, Pierce, A.D, Wilder, P.T, McKnight, L.E, Raman, E.P, Neau, D.B, Bezawada, P, Alasady, M.J, Varney, K.M, Toth, E.A, MacKerell Jr, A.D, Coop, A, Weber, D.J. | Deposit date: | 2015-09-03 | Release date: | 2016-01-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.742 Å) | Cite: | Small Molecule Inhibitors of Ca(2+)-S100B Reveal Two Protein Conformations. J.Med.Chem., 59, 2016
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3PYY
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![BU of 3pyy by Molmil](/molmil-images/mine/3pyy) | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | Descriptor: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | Authors: | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | Deposit date: | 2010-12-13 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site. Chem.Biol., 18, 2011
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3Q09
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![BU of 3q09 by Molmil](/molmil-images/mine/3q09) | |
4F6H
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![BU of 4f6h by Molmil](/molmil-images/mine/4f6h) | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-b-lactamase active site | Descriptor: | Beta-lactamase, PHOSPHATE ION, SULFATE ION, ... | Authors: | Horton, L.B, Shanker, S, Sankaran, B, Mikulski, R, Brown, N.G, Phillips, K, Lykissa, E, Prasad, B.V.V, Palzkill, T.G. | Deposit date: | 2012-05-14 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.744 Å) | Cite: | Mutagenesis of zinc ligand residue Cys221 reveals plasticity in the IMP-1 metallo-beta-lactamase active site Antimicrob.Agents Chemother., 56, 2012
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1LNA
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![BU of 1lna by Molmil](/molmil-images/mine/1lna) | A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN | Descriptor: | CALCIUM ION, COBALT (II) ION, DIMETHYL SULFOXIDE, ... | Authors: | Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W. | Deposit date: | 1994-05-13 | Release date: | 1995-05-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of zinc substitutions in the active site of thermolysin. Protein Sci., 4, 1995
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5T0R
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![BU of 5t0r by Molmil](/molmil-images/mine/5t0r) | |
5T0S
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![BU of 5t0s by Molmil](/molmil-images/mine/5t0s) | Synaptotagmin 1 C2B domain, cadmium-bound | Descriptor: | CADMIUM ION, SODIUM ION, Synaptotagmin-1 | Authors: | Taylor, A.B, Hart, P.J, Igumenova, T.I. | Deposit date: | 2016-08-16 | Release date: | 2017-06-14 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Non-Native Metal Ion Reveals the Role of Electrostatics in Synaptotagmin 1-Membrane Interactions. Biochemistry, 56, 2017
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5SYY
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![BU of 5syy by Molmil](/molmil-images/mine/5syy) | |
4C1S
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![BU of 4c1s by Molmil](/molmil-images/mine/4c1s) | Glycoside hydrolase family 76 (mannosidase) Bt3792 from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, GLYCOSIDE HYDROLASE FAMILY 76 MANNOSIDASE | Authors: | Cuskin, F, Lowe, E.C, Zhu, Y, Temple, M, Thompson, A.J, Cartmell, A, Piens, K, Bracke, D, Vervecken, W, Munoz-Munoz, J.L, Suits, M.D.L, Boraston, A.B, Williams, S.J, Davies, G.J, Abbott, W.D, Martens, E.C, Gilbert, H.J. | Deposit date: | 2013-08-13 | Release date: | 2013-11-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism. Nature, 517, 2015
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