7R56
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2PI0
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![BU of 2pi0 by Molmil](/molmil-images/mine/2pi0) | Crystal Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-B enhancer | Descriptor: | Interferon regulatory factor 3, PRDIII-I region of human interferon-B promoter strand 1, PRDIII-I region of human interferon-B promoter strand 2 | Authors: | Escalante, C.R, Nistal-Villan, E, Leyi, S, Garcia-Sastre, A, Aggarwal, A.K. | Deposit date: | 2007-04-12 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure of IRF-3 bound to the PRDIII-I regulatory element of the human interferon-beta enhancer. Mol.Cell, 26, 2007
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6QVM
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![BU of 6qvm by Molmil](/molmil-images/mine/6qvm) | Undecaheme cytochrome from S-layer of Carboxydothermus ferrireducens | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Osipov, E.M, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Gavrilov, S.F, Popov, V.O. | Deposit date: | 2019-03-04 | Release date: | 2020-03-25 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Extracellular Fe(III) reductase structure reveals a modular organization enabling S-layer insertion and electron transfer to insoluble substrates Structure, 2023
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8EXL
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![BU of 8exl by Molmil](/molmil-images/mine/8exl) | Crystal structure of PI3K-alpha in complex with taselisib | Descriptor: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.989 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXO
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![BU of 8exo by Molmil](/molmil-images/mine/8exo) | Crystal structure of PI3K-alpha in complex with compound 19 | Descriptor: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXU
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![BU of 8exu by Molmil](/molmil-images/mine/8exu) | Crystal structure of PI3K-alpha in complex with compound 30 | Descriptor: | (2S)-2-cyclopropyl-2-({(4S,11aM)-2-[(4S)-2-oxo-4-(trifluoromethyl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}amino)acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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8EXV
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![BU of 8exv by Molmil](/molmil-images/mine/8exv) | Crystal structure of PI3K-alpha in complex with compound 32 | Descriptor: | N~2~-{(4S,11aP)-2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-alaninamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | Deposit date: | 2022-10-25 | Release date: | 2022-11-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha. J.Med.Chem., 65, 2022
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1HB3
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![BU of 1hb3 by Molmil](/molmil-images/mine/1hb3) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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5ESD
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![BU of 5esd by Molmil](/molmil-images/mine/5esd) | Crystal Structure of M. tuberculosis MenD bound to ThDP and Mn2+ | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION, THIAMINE DIPHOSPHATE | Authors: | Johnston, J.M, Jirgis, E.N.M, Bashiri, G, Bulloch, E.M.M, Baker, E.N. | Deposit date: | 2015-11-16 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Views along the Mycobacterium tuberculosis MenD Reaction Pathway Illuminate Key Aspects of Thiamin Diphosphate-Dependent Enzyme Mechanisms. Structure, 24, 2016
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6QPS
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![BU of 6qps by Molmil](/molmil-images/mine/6qps) | Structural characterization of a mannuronic acid specific polysaccharide family 6 lyase enzyme from human gut microbiota | Descriptor: | ACETATE ION, CALCIUM ION, Polysaccharide Lyase Family 6 | Authors: | Fredslund, F, Stender, E.G.P, Svensson, B, Welner, D.H. | Deposit date: | 2019-02-14 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.287 Å) | Cite: | Structural and functional aspects of mannuronic acid-specific PL6 alginate lyase from the human gut microbeBacteroides cellulosilyticus. J.Biol.Chem., 294, 2019
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4U1G
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![BU of 4u1g by Molmil](/molmil-images/mine/4u1g) | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1 | Descriptor: | QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5 | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | Deposit date: | 2014-07-15 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies. Nature, 515, 2014
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1HB4
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![BU of 1hb4 by Molmil](/molmil-images/mine/1hb4) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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7TTL
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![BU of 7ttl by Molmil](/molmil-images/mine/7ttl) | Stable-5-LOX elongated Ha2 (4 copies ASU) | Descriptor: | Arachidonate 5-lipoxygenase, FE (II) ION | Authors: | Gilbert, N.C, Newcomer, M.E. | Deposit date: | 2022-02-01 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Helical remodeling augments 5-lipoxygenase activity in the synthesis of proinflammatory mediators. J.Biol.Chem., 298, 2022
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5K0D
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![BU of 5k0d by Molmil](/molmil-images/mine/5k0d) | Crystal structure of laccase from Thermus thermophilus HB27 (Cu(II)-cyclophanes, 3 min) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Laccase | Authors: | Diaz-Vilchis, A, Ruiz-Arellano, R.R, Rosas-Benitez, E, Stojanoff, V, Rudino-Pinera, E. | Deposit date: | 2016-05-17 | Release date: | 2017-05-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.824 Å) | Cite: | Preserving metallic sites affected by radiation damage: the CuT2 case in Thermus thermophilus multicopper oxidase To be Published
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5LM9
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![BU of 5lm9 by Molmil](/molmil-images/mine/5lm9) | Structure of E. coli NusA | Descriptor: | MAGNESIUM ION, SULFATE ION, Transcription termination/antitermination protein NusA | Authors: | Said, N, Weber, G, Santos, K, Wahl, M.C. | Deposit date: | 2016-07-29 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | Structural basis for lambda N-dependent processive transcription antitermination. Nat Microbiol, 2, 2017
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6QTB
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![BU of 6qtb by Molmil](/molmil-images/mine/6qtb) | Crystal structure of Rea1-MIDAS/Ytm1-UBL complex from Chaetomium thermophilum | Descriptor: | GLYCEROL, MAGNESIUM ION, Midasin,Midasin, ... | Authors: | Ahmed, Y.L, Thoms, M, Hurt, E, Sinning, I. | Deposit date: | 2019-02-22 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures of Rea1-MIDAS bound to its ribosome assembly factor ligands resembling integrin-ligand-type complexes. Nat Commun, 10, 2019
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6GXL
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![BU of 6gxl by Molmil](/molmil-images/mine/6gxl) | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM2 | Descriptor: | Fluoroacetate dehalogenase | Authors: | Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D. | Deposit date: | 2018-06-27 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The hit-and-return system enables efficient time-resolved serial synchrotron crystallography. Nat. Methods, 15, 2018
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8QEB
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![BU of 8qeb by Molmil](/molmil-images/mine/8qeb) | S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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7TIN
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![BU of 7tin by Molmil](/molmil-images/mine/7tin) | The Structure of S. aureus MenD | Descriptor: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Johnston, J.M, Stanborough, T, Ho, N.A.T, Akazong, E.W, Jiao, W. | Deposit date: | 2022-01-14 | Release date: | 2022-09-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric inhibition of Staphylococcus aureus MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway. Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
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8OV5
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![BU of 8ov5 by Molmil](/molmil-images/mine/8ov5) | |
8QEE
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![BU of 8qee by Molmil](/molmil-images/mine/8qee) | S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B. | Deposit date: | 2023-08-31 | Release date: | 2023-10-18 | Last modified: | 2024-04-17 | Method: | ELECTRON MICROSCOPY (2.43 Å) | Cite: | Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation. Proc.Natl.Acad.Sci.USA, 121, 2024
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8CIK
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![BU of 8cik by Molmil](/molmil-images/mine/8cik) | Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution | Descriptor: | Chymosin, GLYCEROL | Authors: | Diusenova, S.E, Shevtsov, M.B, Borshchevskiy, V.I, Belenkaya, S.V, Kolybalov, D.S, Arkhipov, S.G, Volosnikova, E.A, Elchaninov, V.V, Shcherbakov, D.N. | Deposit date: | 2023-02-09 | Release date: | 2023-03-08 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Altai wapiti (Cervus elaphus sibiricus) chymosin at 2.2 A resolution To Be Published
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7MMN
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![BU of 7mmn by Molmil](/molmil-images/mine/7mmn) | |
7AFV
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![BU of 7afv by Molmil](/molmil-images/mine/7afv) | Crystal structure of tetrameric beta-2-microglobulin deltaN6 S52C stabilized by a covalent ligand | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide, Beta-2-microglobulin | Authors: | Guthertz, N, Cawood, E, Karamanos, T. | Deposit date: | 2020-09-20 | Release date: | 2020-12-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Modulation of Amyloidogenic Protein Self-Assembly Using Tethered Small Molecules. J.Am.Chem.Soc., 142, 2020
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8PXH
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![BU of 8pxh by Molmil](/molmil-images/mine/8pxh) | Structure of TauA from E. coli, solved at wavelength 2.375 A | Descriptor: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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