7PD9
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6U6A
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![BU of 6u6a by Molmil](/molmil-images/mine/6u6a) | Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A | Descriptor: | 2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine, SULFATE ION, Serine/threonine protein kinase | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Chang, C, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-08-29 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Overcoming Fungal Echinocandin Resistance through Inhibition of the Non-essential Stress Kinase Yck2. Cell Chem Biol, 27, 2020
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8QTD
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![BU of 8qtd by Molmil](/molmil-images/mine/8qtd) | Local refinement of SARS-CoV-2 BA.2.86 Spike and XBB-7 Fab | Descriptor: | Spike glycoprotein,Fibritin, XBB-7 fab heavy chain, XBB-7 fab light chain | Authors: | Ren, J, Duyvesteyn, H.M.E, Stuart, D.I. | Deposit date: | 2023-10-12 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity. Cell Rep Med, 5, 2024
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1GU8
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![BU of 1gu8 by Molmil](/molmil-images/mine/1gu8) | SENSORY RHODOPSIN II | Descriptor: | CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II | Authors: | Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M. | Deposit date: | 2002-01-24 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor Structure, 10, 2002
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6NS3
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![BU of 6ns3 by Molmil](/molmil-images/mine/6ns3) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. I222 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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6UAW
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![BU of 6uaw by Molmil](/molmil-images/mine/6uaw) | Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) in complex with laminaritriose | Descriptor: | Glyco_hydro_cc domain-containing protein, SULFATE ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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6UB2
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![BU of 6ub2 by Molmil](/molmil-images/mine/6ub2) | Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Endo-beta-1,3-glucanase, ... | Authors: | Santos, C.R, Lima, E.A, Mandelli, F, Vieira, P.S, Murakami, M.T. | Deposit date: | 2019-09-11 | Release date: | 2020-05-20 | Last modified: | 2020-08-05 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family. Nat.Chem.Biol., 16, 2020
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1GVM
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![BU of 1gvm by Molmil](/molmil-images/mine/1gvm) | CHOLINE BINDING DOMAIN OF THE MAJOR AUTOLYSIN (C-LYTA) FROM STREPTOCOCCUS PNEUMONIAE | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AUTOLYSIN, CHOLINE ION, ... | Authors: | Fernandez-Tornero, C, Lopez, R, Garcia, E, Gimenez-Gallego, G, Romero, A. | Deposit date: | 2002-02-15 | Release date: | 2002-08-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Two New Crystal Forms of the Choline-Binding Domain of the Major Pneumococcal Autolysin: Insights Into the Dynamics of the Active Dimeric J.Mol.Biol., 321, 2002
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8EFR
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![BU of 8efr by Molmil](/molmil-images/mine/8efr) | CryoEM of the soluble OPA1 interfaces with GDP-AlFx bound from the helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-09 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (5.48 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
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7AK4
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![BU of 7ak4 by Molmil](/molmil-images/mine/7ak4) | Structure of SARS-CoV-2 Main Protease bound to Tretazicar. | Descriptor: | 3C-like proteinase, 5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-29 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7AMJ
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![BU of 7amj by Molmil](/molmil-images/mine/7amj) | Structure of SARS-CoV-2 Main Protease bound to PD 168568. | Descriptor: | (3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-10-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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7ZWT
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![BU of 7zwt by Molmil](/molmil-images/mine/7zwt) | Crystal structure of human BCL6 BTB domain in complex with compound 14 | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide, B-cell lymphoma 6 protein, ... | Authors: | Gunnell, E.A, Le Bihan, Y.-V, van Montfort, R.L.M. | Deposit date: | 2022-05-19 | Release date: | 2022-11-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep, 12, 2022
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8DZK
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![BU of 8dzk by Molmil](/molmil-images/mine/8dzk) | Dbr1 in complex with 5-mer cleavage product | Descriptor: | FE (II) ION, RNA (5'-R(P*(G46)P*UP*GP*UP*U)-3'), RNA lariat debranching enzyme, ... | Authors: | Clark, N.E, Taylor, A.B. | Deposit date: | 2022-08-08 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the RNA Lariat Debranching Enzyme Dbr1 with Hydrolyzed Phosphorothioate RNA Product. Biochemistry, 61, 2022
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7AX6
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![BU of 7ax6 by Molmil](/molmil-images/mine/7ax6) | Structure of SARS-CoV-2 Main Protease bound to Glutathione isopropyl ester | Descriptor: | (2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6NX6
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6NXD
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1HB2
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![BU of 1hb2 by Molmil](/molmil-images/mine/1hb2) | 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 (1.3 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
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6UGE
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1H4D
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![BU of 1h4d by Molmil](/molmil-images/mine/1h4d) | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA | Descriptor: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | Authors: | Guse, A, Stevenson, C.E.M, Kuper, J, Buchanan, G, Schwarz, G, Mendel, R.R, Lawson, D.M, Palmer, T. | Deposit date: | 2003-02-26 | Release date: | 2003-05-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis Protein Moba J.Biol.Chem., 278, 2003
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6SP4
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![BU of 6sp4 by Molmil](/molmil-images/mine/6sp4) | KEAP1 IN COMPLEX WITH COMPOUND 23 | Descriptor: | (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide, Kelch-like ECH-associated protein 1 | Authors: | Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S. | Deposit date: | 2019-08-30 | Release date: | 2020-06-03 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction. Acs Med.Chem.Lett., 11, 2020
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6NX8
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8FOU
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![BU of 8fou by Molmil](/molmil-images/mine/8fou) | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-tube | Descriptor: | Virion-associated protein | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano. Nat Commun, 15, 2024
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7AWR
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![BU of 7awr by Molmil](/molmil-images/mine/7awr) | Structure of SARS-CoV-2 Main Protease bound to Tegafur | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, TEGAFUR | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-11-09 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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8FOY
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![BU of 8foy by Molmil](/molmil-images/mine/8foy) | Structure of Agrobacterium tumefaciens bacteriophage Milano contracted tail-sheath | Descriptor: | Tail sheath protein | Authors: | Sonani, R.R, Leiman, P.G, Wang, F, Kreutzberger, M.A.B, Sebastian, A, Esteves, N.C, Kelly, R.J, Scharf, B, Egelman, E.H. | Deposit date: | 2023-01-03 | Release date: | 2024-01-17 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | An extensive disulfide bond network prevents tail contraction in Agrobacterium tumefaciens phage Milano. Nat Commun, 15, 2024
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7RPT
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