1HEI
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5FGS
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![BU of 5fgs by Molmil](/molmil-images/mine/5fgs) | Crystal structure of C-terminal domain of shaft pilin spaA from Lactobacillus rhamnosus GG - P21212 space group | Descriptor: | Cell surface protein SpaA, ZINC ION | Authors: | Chaurasia, P, Pratap, S, von Ossowski, I, Palva, A, Krishnan, V. | Deposit date: | 2015-12-21 | Release date: | 2016-07-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New insights about pilus formation in gut-adapted Lactobacillus rhamnosus GG from the crystal structure of the SpaA backbone-pilin subunit Sci Rep, 6, 2016
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5OD7
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![BU of 5od7 by Molmil](/molmil-images/mine/5od7) | Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time | Descriptor: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | Authors: | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Buchstaller, H.-P, Eggenweiler, H.-M, Frech, M, Ecker, G.F, Lehmann, M. | Deposit date: | 2017-07-04 | Release date: | 2018-11-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J.Med.Chem., 61, 2018
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5NUJ
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![BU of 5nuj by Molmil](/molmil-images/mine/5nuj) | Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP) | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | Deposit date: | 2017-04-30 | Release date: | 2018-04-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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6NVF
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![BU of 6nvf by Molmil](/molmil-images/mine/6nvf) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 | Descriptor: | (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid, ATP-dependent dethiobiotin synthetase BioD, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 8 To Be Published
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1U5J
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![BU of 1u5j by Molmil](/molmil-images/mine/1u5j) | Propionibacterium shermanii transcarboxylase 5S subunit, Met186Ile | Descriptor: | COBALT (II) ION, transcarboxylase 5S subunit | Authors: | Hall, P.R, Zheng, R, Antony, L, Pusztai-Carey, M, Carey, P.R, Yee, V.C. | Deposit date: | 2004-07-27 | Release date: | 2004-09-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Transcarboxylase 5S structures: assembly and catalytic mechanism of a multienzyme complex subunit. Embo J., 23, 2004
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3RE7
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![BU of 3re7 by Molmil](/molmil-images/mine/3re7) | Copper (II) loaded Bullfrog Ferritin M chain | Descriptor: | COPPER (II) ION, Ferritin, middle subunit | Authors: | Bertini, I, Lalli, D, Mangani, S, Pozzi, C, Rosa, C, Turano, P. | Deposit date: | 2011-04-02 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Structural insights into the ferroxidase site of ferritins from higher eukaryotes. J.Am.Chem.Soc., 134, 2012
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1MVY
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![BU of 1mvy by Molmil](/molmil-images/mine/1mvy) | Amylosucrase mutant E328Q co-crystallized with maltoheptaose. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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2X2M
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![BU of 2x2m by Molmil](/molmil-images/mine/2x2m) | Crystal Structure of phosphorylated RET tyrosine kinase domain with inhibitor | Descriptor: | (3Z)-3-[(3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | Authors: | Knowles, P.P, Murray-Rust, J, Kjaer, S, McDonald, N.Q. | Deposit date: | 2010-01-13 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors. Bioorg. Med. Chem., 18, 2010
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4YW1
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![BU of 4yw1 by Molmil](/molmil-images/mine/4yw1) | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with 3'SL | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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7XKF
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![BU of 7xkf by Molmil](/molmil-images/mine/7xkf) | Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex at lower state | Descriptor: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE, Adhesion G-protein coupled receptor G2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Guo, S.C, Xiao, P, Lin, H, Sun, J.P, Yu, X. | Deposit date: | 2022-04-19 | Release date: | 2022-08-10 | Last modified: | 2023-03-15 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structures of the ADGRG2-G s complex in apo and ligand-bound forms. Nat.Chem.Biol., 18, 2022
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8APL
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![BU of 8apl by Molmil](/molmil-images/mine/8apl) | Vaccinia virus DNA helicase D5 residues 323-785 hexamer with bound DNA processed in C6 | Descriptor: | Primase D5 | Authors: | Burmeister, W.P, Hutin, S, Ling, W.L, Grimm, C, Schoehn, G. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | The Vaccinia Virus DNA Helicase Structure from Combined Single-Particle Cryo-Electron Microscopy and AlphaFold2 Prediction. Viruses, 14, 2022
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6HBK
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![BU of 6hbk by Molmil](/molmil-images/mine/6hbk) | Echovirus 18 Open particle without one pentamer | Descriptor: | Echovirus 18 capsid protein 1, Echovirus 18 capsid protein 2, Echovirus 18 capsid protein 3 | Authors: | Buchta, D, Fuzik, T, Hrebik, D, Levdansky, Y, Moravcova, J, Plevka, P. | Deposit date: | 2018-08-10 | Release date: | 2019-03-20 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Enterovirus particles expel capsid pentamers to enable genome release. Nat Commun, 10, 2019
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6HD9
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![BU of 6hd9 by Molmil](/molmil-images/mine/6hd9) | Crystal structure of the potassium channel MtTMEM175 with rubidium | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Nanobody,Maltose/maltodextrin-binding periplasmic protein, RUBIDIUM ION, ... | Authors: | Brunner, J.D, Jakob, R.P, Schulze, T, Neldner, Y, Moroni, A, Thiel, G, Maier, T, Schenck, S. | Deposit date: | 2018-08-17 | Release date: | 2019-08-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural basis for ion selectivity in TMEM175 K+channels. Elife, 9, 2020
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6HE8
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![BU of 6he8 by Molmil](/molmil-images/mine/6he8) | PAN-proteasome in state 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Majumder, P, Rudack, T, Beck, F, Baumeister, W. | Deposit date: | 2018-08-20 | Release date: | 2018-12-26 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (6.86 Å) | Cite: | Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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4YW3
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![BU of 4yw3 by Molmil](/molmil-images/mine/4yw3) | Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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5V65
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4DJZ
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![BU of 4djz by Molmil](/molmil-images/mine/4djz) | Catalytic fragment of masp-1 in complex with its specific inhibitor developed by directed evolution on sgci scaffold | Descriptor: | Mannan-binding lectin serine protease 1 heavy chain, Mannan-binding lectin serine protease 1 light chain, Protease inhibitor SGPI-2 | Authors: | Heja, D, Harmat, V, Fodor, K, Wilmanns, M, Dobo, J, Kekesi, K.A, Zavodszky, P, Gal, P, Pal, G. | Deposit date: | 2012-02-03 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Monospecific Inhibitors Show That Both Mannan-binding Lectin-associated Serine Protease-1 (MASP-1) and -2 Are Essential for Lectin Pathway Activation and Reveal Structural Plasticity of MASP-2. J.Biol.Chem., 287, 2012
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6JTD
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![BU of 6jtd by Molmil](/molmil-images/mine/6jtd) | Crystal structure of TcCGT1 in complex with UDP | Descriptor: | 1,2-ETHANEDIOL, C-glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Zhao, P, Yun, C.H. | Deposit date: | 2019-04-10 | Release date: | 2019-06-19 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular and Structural Characterization of a Promiscuous C-Glycosyltransferase from Trollius chinensis. Angew.Chem.Int.Ed.Engl., 58, 2019
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6NJ6
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5NX0
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![BU of 5nx0 by Molmil](/molmil-images/mine/5nx0) | Structure of Spin-labelled T4 lysozyme mutant L115C-R119C-R1 at room temperature | Descriptor: | Endolysin | Authors: | Gohlke, U, Loll, B, Consentius, P, Mueller, R, Kaupp, M, Heinemann, U, Wahl, M.C, Risse, T. | Deposit date: | 2017-05-09 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Combining EPR spectroscopy and X-ray crystallography to elucidate the structure and dynamics of conformationally constrained spin labels in T4 lysozyme single crystals. Phys Chem Chem Phys, 19, 2017
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5HJD
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![BU of 5hjd by Molmil](/molmil-images/mine/5hjd) | AF9 YEATS in complex with histone H3 Crotonylation at K18 | Descriptor: | COPPER (II) ION, Protein AF-9, SULFATE ION, ... | Authors: | Li, Y.Y, Zhao, D, Guan, H.P, Li, H.T. | Deposit date: | 2016-01-13 | Release date: | 2016-04-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | Molecular Coupling of Histone Crotonylation and Active Transcription by AF9 YEATS Domain. Mol.Cell, 62, 2016
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2O86
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![BU of 2o86 by Molmil](/molmil-images/mine/2o86) | Crystal structure of a ternary complex of buffalo lactoperoxidase with nitrate and iodide at 2.8 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ... | Authors: | Sheikh, I.A, Singh, N, Singh, A.K, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2006-12-12 | Release date: | 2006-12-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of a ternary complex of buffalo lactoperoxidase with nitrate and iodide at 2.8 A resolution To be Published
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8Y4Z
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![BU of 8y4z by Molmil](/molmil-images/mine/8y4z) | Monomeric HERC5 HECT c-lobe structure in solution | Descriptor: | E3 ISG15--protein ligase HERC5 | Authors: | Dag, C, Lambert, M, Kahraman, K, Lohn, F, Lee, W, Gocenler, O, Guntert, P, Dotsch, V. | Deposit date: | 2024-01-31 | Release date: | 2024-02-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Monomeric HERC5 HECT c-lobe structure in solution To Be Published
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1MW1
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![BU of 1mw1 by Molmil](/molmil-images/mine/1mw1) | Amylosucrase soaked with 14mM sucrose. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, amylosucrase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Skov, L.K, Mirza, O, Sprogoe, D, Dar, I, Remaud-Simeon, M, Albenne, C, Monsan, P, Gajhede, M. | Deposit date: | 2002-09-27 | Release date: | 2002-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Oligosaccharide and Sucrose Complexes of Amylosucrase. STRUCTURAL IMPLICATIONS FOR THE POLYMERASE ACTIVITY J.BIOL.CHEM., 277, 2002
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