6FSF
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![BU of 6fsf by Molmil](/molmil-images/mine/6fsf) | Crystal structure of the tandem PX-PH-domains of Bem3 from Saccharomyces cerevisiae | Descriptor: | GTPase-activating protein BEM3 | Authors: | Ali, I, Eu, S, Koch, D, Bleimling, N, Goody, R.S, Mueller, M.P. | Deposit date: | 2018-02-19 | Release date: | 2018-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the tandem PX-PH domains of Bem3 from Saccharomyces cerevisiae. Acta Crystallogr F Struct Biol Commun, 74, 2018
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7QP1
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![BU of 7qp1 by Molmil](/molmil-images/mine/7qp1) | Crystal structure of metacaspase from candida glabrata with calcium | Descriptor: | CALCIUM ION, CHLORIDE ION, Metacaspase-1 | Authors: | Conchou, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2021-12-30 | Release date: | 2023-01-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium. Commun Biol, 5, 2022
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7QKD
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![BU of 7qkd by Molmil](/molmil-images/mine/7qkd) | Crystal structure of human Cathepsin L in complex with covalently bound MG132 | Descriptor: | ACETATE ION, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors. J.Med.Chem., 2024
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4ZX5
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4ZXL
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![BU of 4zxl by Molmil](/molmil-images/mine/4zxl) | CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ... | Authors: | Selvan, N, van Aalten, D.M.F. | Deposit date: | 2015-05-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development. Biochem.J., 470, 2015
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6FU6
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![BU of 6fu6 by Molmil](/molmil-images/mine/6fu6) | Phosphotriesterase PTE_C23_2 | Descriptor: | FORMIC ACID, POLYACRYLIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-02-26 | Release date: | 2019-03-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphotriesterase
PTE_A53_4 To Be Published
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7QPP
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![BU of 7qpp by Molmil](/molmil-images/mine/7qpp) | High resolution structure of human VDR ligand binding domain in complex with calcitriol | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, SULFATE ION, Vitamin D3 receptor | Authors: | Rochel, N. | Deposit date: | 2022-01-05 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Advances in Vitamin D Receptor Function and Evolution Based on the 3D Structure of the Lamprey Ligand-Binding Domain. J.Med.Chem., 65, 2022
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6FMY
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![BU of 6fmy by Molmil](/molmil-images/mine/6fmy) | IMISX-EP of S-PepTSt | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Di-or tripeptide:H+ symporter, ... | Authors: | Huang, C.-Y, Olieric, V, Howe, N, Warshamanage, R, Weinert, T, Panepucci, E, Vogeley, L, Basu, S, Diederichs, K, Caffrey, M, Wang, M. | Deposit date: | 2018-02-02 | Release date: | 2018-09-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | In situ serial crystallography for rapid de novo membrane protein structure determination. Commun Biol, 1, 2018
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6FWD
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7QKC
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![BU of 7qkc by Molmil](/molmil-images/mine/7qkc) | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | Descriptor: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | Authors: | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | Deposit date: | 2021-12-17 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections. Commun Biol, 6, 2023
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6FRL
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![BU of 6frl by Molmil](/molmil-images/mine/6frl) | BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Widmann, C, Neubauer, P.R, Sewald, N, Niemann, H.H. | Deposit date: | 2018-02-16 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination. PLoS ONE, 13, 2018
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5A5L
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![BU of 5a5l by Molmil](/molmil-images/mine/5a5l) | Structure of dual function FBPase SBPase from Thermosynechococcus elongatus | Descriptor: | 7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose, D-FRUCTOSE 1,6-BISPHOSPHATASE CLASS 2/SEDOHEPTULOSE 1,7-BISPHOSPHATASE, MAGNESIUM ION, ... | Authors: | Cotton, C.A.R, Kabasakal, B, Miah, N, Murray, J.W. | Deposit date: | 2015-06-19 | Release date: | 2015-10-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structure of the Dual-Function Fructose-1,6/Sedoheptulose-1, 7-Bisphosphatase from Thermosynechococcus Elongatus Bound with Sedoheptulose-7-Phosphate. Acta Crystallogr.,Sect.F, 71, 2015
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4ZVI
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![BU of 4zvi by Molmil](/molmil-images/mine/4zvi) | GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR | Descriptor: | DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine | Authors: | Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D. | Deposit date: | 2015-05-18 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation. J.Med.Chem., 58, 2015
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7QP0
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![BU of 7qp0 by Molmil](/molmil-images/mine/7qp0) | Crystal structure of metacaspase from candida glabrata with magnesium | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Metacaspase-1 | Authors: | Conchou, L, Ballut, L, Violot, S, Aghajari, N. | Deposit date: | 2021-12-30 | Release date: | 2023-01-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium. Commun Biol, 5, 2022
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4ZW6
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6FZG
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![BU of 6fzg by Molmil](/molmil-images/mine/6fzg) | PPAR gamma mutant complex | Descriptor: | (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma | Authors: | Rochel, N. | Deposit date: | 2018-03-14 | Release date: | 2019-02-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors. Nat Commun, 10, 2019
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7QQE
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![BU of 7qqe by Molmil](/molmil-images/mine/7qqe) | Nuclear factor one X - NFIX in P41212 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Nuclear factor 1 X-type, ZINC ION | Authors: | Lapi, M, Chaves-Sanjuan, A, Gourlay, L.J, Tiberi, M, Polentarutti, M, Demitri, N, Bais, G, Nardini, M. | Deposit date: | 2022-01-07 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Nuclear factor one X - NFIX in P41212 To Be Published
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7QQJ
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![BU of 7qqj by Molmil](/molmil-images/mine/7qqj) | Sucrose phosphorylase from Jeotgalibaca ciconiae | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sucrose phosphorylase | Authors: | Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2022-01-08 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Sucrose phosphorylase from Jeotgalibaca ciconiae To Be Published
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5A3J
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![BU of 5a3j by Molmil](/molmil-images/mine/5a3j) | Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13-Oxo-9(Z),11(E),15(Z)- octadecatrienoic acid. | Descriptor: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid), PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC | Authors: | Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D. | Deposit date: | 2015-06-01 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.776 Å) | Cite: | Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana. Front Plant Sci, 8, 2017
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6G3M
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![BU of 6g3m by Molmil](/molmil-images/mine/6g3m) | Phosphotriesterase PTE_C23M_4 | Descriptor: | 1-ethyl-1-methyl-cyclohexane, CHLORIDE ION, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Leader, H, Ashani, Y, Goldsmith, M, Greisen, P, Tawfik, D, Sussman, L.J. | Deposit date: | 2018-03-26 | Release date: | 2019-04-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.665 Å) | Cite: | Phosphotriesterase
PTE_C23M_4 To Be Published
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7QQ2
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7QQD
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![BU of 7qqd by Molmil](/molmil-images/mine/7qqd) | Nuclear factor one X - NFIX in P21 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NFI binding site (forward), NFI binding site (reverse), ... | Authors: | Lapi, M, Chaves-Sanjuan, A, Gourlay, L.J, Tiberi, M, Polentarutti, M, Demitri, N, Bais, G, Nardini, M. | Deposit date: | 2022-01-07 | Release date: | 2023-01-18 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Nuclear factor one X - NFIX in P41212 To Be Published
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7QQI
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![BU of 7qqi by Molmil](/molmil-images/mine/7qqi) | Sucrose phosphorylase from Faecalibaculum rodentium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aamy domain-containing protein | Authors: | Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2022-01-08 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Sucrose phosphorylase from Faecalibaculum rodentium To Be Published
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6G31
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![BU of 6g31 by Molmil](/molmil-images/mine/6g31) | Crystal structure of human geranylgeranyl diphosphate synthase mutant D188Y bound to zoledronate | Descriptor: | Geranylgeranyl pyrophosphate synthase, MAGNESIUM ION, ZOLEDRONIC ACID | Authors: | Lisnyansky, M, Kapelushnik, N, Ben-Bassat, A, Marom, M, Loewenstein, A, Khananshvili, D, Giladi, M, Haitin, Y. | Deposit date: | 2018-03-24 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Reduced Activity of Geranylgeranyl Diphosphate Synthase Mutant Is Involved in Bisphosphonate-Induced Atypical Fractures. Mol. Pharmacol., 94, 2018
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2ZMI
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![BU of 2zmi by Molmil](/molmil-images/mine/2zmi) | Crystal Structure of Rat Vitamin D Receptor Bound to Adamantyl Vitamin D Analogs: Structural Basis for Vitamin D Receptor Antagonism and/or Partial Agonism | Descriptor: | (1R,3R,7E,17beta)-17-{(1S,2E,5R)-5-hydroxy-1-methyl-5-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, 1,2-ETHANEDIOL, FORMIC ACID, ... | Authors: | Nakabayashi, M, Yamada, S, Tanaka, T, Igarashi, M, Yoshimoto, N, Ikura, T, Ito, N, Makishima, M, Tokiwa, H, DeLuca, H.F, Shimizu, M. | Deposit date: | 2008-04-19 | Release date: | 2008-09-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of rat vitamin d receptor bound to adamantyl vitamin d analogs: structural basis for vitamin d receptor antagonism and partial agonism J.Med.Chem., 51, 2008
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