6XXN
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![BU of 6xxn by Molmil](/molmil-images/mine/6xxn) | Crystal structure of NB7, a nanobody targeting prostate specific membrane antigen | Descriptor: | NB_7_a,b,c,f, NB_7_g, NB_7_h, ... | Authors: | Shahar, A, Rosenfeld, L, Papo, N. | Deposit date: | 2020-01-28 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Nanobodies Targeting Prostate-Specific Membrane Antigen for the Imaging and Therapy of Prostate Cancer. J.Med.Chem., 63, 2020
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4S2H
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![BU of 4s2h by Molmil](/molmil-images/mine/4s2h) | Joint X-ray/neutron structure of Trichoderma reesei xylanase II at pH 8.5 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Kovalevsky, A, Wan, Q, Langan, P. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2019-12-25 | Method: | NEUTRON DIFFRACTION (1.6 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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8GFO
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6X6G
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![BU of 6x6g by Molmil](/molmil-images/mine/6x6g) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with droperidol | Descriptor: | 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6I
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![BU of 6x6i by Molmil](/molmil-images/mine/6x6i) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT543 | Descriptor: | 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-28 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X6Y
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![BU of 6x6y by Molmil](/molmil-images/mine/6x6y) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1264 | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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6X7A
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![BU of 6x7a by Molmil](/molmil-images/mine/6x7a) | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT572 | Descriptor: | 4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | Deposit date: | 2020-05-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance Rsc Med Chem, 12, 2021
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4TS7
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![BU of 4ts7 by Molmil](/molmil-images/mine/4ts7) | Sulfolobus solfataricus adenine phosphoribosyltransferase with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHATE ION, Purine phosphoribosyltransferase (GpT-1) | Authors: | Kadziola, A. | Deposit date: | 2014-06-18 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Adenine Phosphoribosyltransferase from Sulfolobus solfataricus Is an Enzyme with Unusual Kinetic Properties and a Crystal Structure that Suggests It Evolved from a 6-Oxopurine Phosphoribosyltransferase. Biochemistry, 54, 2015
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8SZZ
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4U2L
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![BU of 4u2l by Molmil](/molmil-images/mine/4u2l) | Dithionite reduced cholesterol in complex with sulfite | Descriptor: | (S)-10-((2S,3S,4R)-5-((S)-((S)-(((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHOXY)(HYDROXY)PHOSPHORYLOXY)(HYDROXY)PHOSPHORYLOXY)-2,3,4-TRIHYDROXYPENTYL)-7,8-DIMETHYL-2,4-DIOXO-2,3,4,4A-TETRAHYDROBENZO[G]PTERIDINE-5(10H)-SULFONIC ACID, Cholesterol oxidase, SULFATE ION | Authors: | Golden, E.A, Vrielink, A. | Deposit date: | 2014-07-17 | Release date: | 2014-12-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.337 Å) | Cite: | High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization. Acta Crystallogr.,Sect.D, 70, 2014
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5E79
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![BU of 5e79 by Molmil](/molmil-images/mine/5e79) | Macromolecular diffractive imaging using imperfect crystals | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Ayyer, K, Yefanov, O, Oberthur, D, Roy-Chowdhury, S, Galli, L, Mariani, V, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Schaffer, A, Dorner, K, James, D, Kupitz, C, Metz, M, Nelson, G, Xavier, P.L, Beyerlein, K.R, Schmidt, M, Sarrou, I, Spence, J.C.H, Weierstall, U, White, T.A, Yang, J.-H, Zhao, Y, Liang, M, Aquila, A, Hunter, M.S, Koglin, J.E, Boutet, S, Fromme, P, Barty, A, Chapman, H.N. | Deposit date: | 2015-10-12 | Release date: | 2017-02-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Macromolecular diffractive imaging using imperfect crystals. Nature, 530, 2016
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4U2S
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8GFR
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![BU of 8gfr by Molmil](/molmil-images/mine/8gfr) | Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with NBH2 | Descriptor: | (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Kovalevsky, A, Coates, L. | Deposit date: | 2023-03-08 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
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8GFU
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8GFK
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8GFN
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![BU of 8gfn by Molmil](/molmil-images/mine/8gfn) | Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with BBH1 | Descriptor: | (1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Kovalevsky, A, Coates, L. | Deposit date: | 2023-03-08 | Release date: | 2023-07-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors. J.Biol.Chem., 299, 2023
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7PE1
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7PE2
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6WQF
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4TW1
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![BU of 4tw1 by Molmil](/molmil-images/mine/4tw1) | Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH | Descriptor: | Possible leukocidin subunit | Authors: | Logan, D.T, Hakansson, M, Saline, M, Kimbung, R, Badarau, A, Rouha, H, Nagy, E. | Deposit date: | 2014-06-29 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH. J.Biol.Chem., 290, 2015
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7PKR
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![BU of 7pkr by Molmil](/molmil-images/mine/7pkr) | Vault structure in primmed conformation | Descriptor: | Major vault protein | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | Deposit date: | 2021-08-26 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Symmetry disruption commits vault particles to disassembly. Sci Adv, 8, 2022
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7PKZ
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![BU of 7pkz by Molmil](/molmil-images/mine/7pkz) | Vault structure in committed conformation | Descriptor: | Major vault protein | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | Deposit date: | 2021-08-27 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (9.8 Å) | Cite: | Symmetry disruption commits vault particles to disassembly. Sci Adv, 8, 2022
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6HV9
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![BU of 6hv9 by Molmil](/molmil-images/mine/6hv9) | S. cerevisiae CMG-Pol epsilon-DNA | Descriptor: | Cell division control protein 45, DNA (5'-D(*GP*CP*AP*GP*CP*CP*AP*CP*GP*CP*TP*GP*GP*CP*CP*GP*TP*TP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*AP*AP*CP*GP*GP*CP*CP*AP*GP*CP*GP*TP*GP*GP*CP*TP*GP*C)-3'), ... | Authors: | Abid Ali, F, Purkiss, A.G, Cheung, A, Costa, A. | Deposit date: | 2018-10-10 | Release date: | 2018-12-12 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (4.98 Å) | Cite: | Structure of DNA-CMG-Pol epsilon elucidates the roles of the non-catalytic polymerase modules in the eukaryotic replisome. Nat Commun, 9, 2018
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7PKY
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![BU of 7pky by Molmil](/molmil-images/mine/7pky) | Half-vault structure | Descriptor: | Major vault protein | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | Deposit date: | 2021-08-27 | Release date: | 2022-03-23 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (7.9 Å) | Cite: | Symmetry disruption commits vault particles to disassembly. Sci Adv, 8, 2022
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6R88
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![BU of 6r88 by Molmil](/molmil-images/mine/6r88) | Structure of Arabidopsis thaliana GLR3.3 ligand-binding domain in complex with glycine | Descriptor: | CHLORIDE ION, GLYCEROL, GLYCINE, ... | Authors: | Alfieri, A, Pederzoli, R, Costa, A. | Deposit date: | 2019-04-01 | Release date: | 2020-01-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The structural bases for agonist diversity in anArabidopsis thalianaglutamate receptor-like channel. Proc.Natl.Acad.Sci.USA, 117, 2020
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