7NBI
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7Q1F
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![BU of 7q1f by Molmil](/molmil-images/mine/7q1f) | CPAP:TUBULIN:IE5 ALPHAREP COMPLEX | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CITRATE ANION, Centromere protein J, ... | Authors: | Campanacci, V, Gigant, b. | Deposit date: | 2021-10-19 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.347 Å) | Cite: | Structural convergence for tubulin binding of CPAP and vinca domain microtubule inhibitors. Proc.Natl.Acad.Sci.USA, 119, 2022
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1J0E
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![BU of 1j0e by Molmil](/molmil-images/mine/1j0e) | ACC deaminase mutant reacton intermediate | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Ose, T, Fujino, A, Yao, M, Honma, M, Tanaka, I. | Deposit date: | 2002-11-12 | Release date: | 2003-05-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Reaction intermediate structures of 1-aminocyclopropane-1-carboxylate deaminase: insight into PLP-dependent cyclopropane ring-opening reaction J.BIOL.CHEM., 278, 2003
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8C3J
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![BU of 8c3j by Molmil](/molmil-images/mine/8c3j) | Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22 | Descriptor: | 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA | Authors: | Pantelejevs, T, Hyvonen, M. | Deposit date: | 2022-12-26 | Release date: | 2023-11-29 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase. Chem Sci, 14, 2023
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6Y09
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7QV8
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7OSZ
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![BU of 7osz by Molmil](/molmil-images/mine/7osz) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4d | Descriptor: | 3-[(2-methylphenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OT0
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![BU of 7ot0 by Molmil](/molmil-images/mine/7ot0) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4h | Descriptor: | 3-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OSY
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![BU of 7osy by Molmil](/molmil-images/mine/7osy) | Human Prolyl-tRNA Synthetase in Complex with L-proline | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OT1
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![BU of 7ot1 by Molmil](/molmil-images/mine/7ot1) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 3c | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OT3
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![BU of 7ot3 by Molmil](/molmil-images/mine/7ot3) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 3b | Descriptor: | Bifunctional glutamate/proline--tRNA ligase, PROLINE, STRONTIUM ION, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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7OT2
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![BU of 7ot2 by Molmil](/molmil-images/mine/7ot2) | Human Prolyl-tRNA Synthetase in Complex with L-proline and Compound 4j | Descriptor: | 3-[[2-(trifluoromethyl)phenyl]methylamino]pyrazine-2-carboxamide, Bifunctional glutamate/proline--tRNA ligase, PROLINE, ... | Authors: | Pang, L, Zitko, J, Strelkov, S.V, Weeks, S.D. | Deposit date: | 2021-06-09 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Towards Novel 3-Aminopyrazinamide-Based Prolyl-tRNA Synthetase Inhibitors: In Silico Modelling, Thermal Shift Assay and Structural Studies. Int J Mol Sci, 22, 2021
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6ZAY
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![BU of 6zay by Molmil](/molmil-images/mine/6zay) | Crystal structure of Atg16L in complex with GDP-bound Rab33B | Descriptor: | 1,2-ETHANEDIOL, Autophagy-related protein 16-1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pantoom, S, Wu, Y.W. | Deposit date: | 2020-06-06 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | RAB33B recruits the ATG16L1 complex to the phagophore via a noncanonical RAB binding protein. Autophagy, 17, 2021
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3HN2
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![BU of 3hn2 by Molmil](/molmil-images/mine/3hn2) | Crystal structure of 2-dehydropantoate 2-reductase FROM Geobacter metallireducens GS-15 | Descriptor: | 2-dehydropantoate 2-reductase | Authors: | Patskovsky, Y, Toro, R, Morano, C, Rutter, M, Chang, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of 2-dehydropantoate 2-reductase FROM Geobacter metallireducens To be Published
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2GVF
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![BU of 2gvf by Molmil](/molmil-images/mine/2gvf) | HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021 | Descriptor: | (6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE, Polyprotein, ZINC ION, ... | Authors: | Arasappan, A, Njoroge, F.G, Chen, K.X, Venkatraman, S, Parekh, T.N, Gu, H, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V, Girijavallabhan, V. | Deposit date: | 2006-05-02 | Release date: | 2007-01-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg.Med.Chem.Lett., 16, 2006
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6XV5
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5DBJ
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![BU of 5dbj by Molmil](/molmil-images/mine/5dbj) | Crystal structure of halogenase PltA | Descriptor: | CHLORIDE ION, FADH2-dependent halogenase PltA, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Pang, A.H, Tsodikov, O.V. | Deposit date: | 2015-08-21 | Release date: | 2015-10-07 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of halogenase PltA from the pyoluteorin biosynthetic pathway. J.Struct.Biol., 192, 2015
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6U2J
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![BU of 6u2j by Molmil](/molmil-images/mine/6u2j) | EM structure of MPEG-1 (L425K, alpha conformation) soluble pre-pore complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-20 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.37 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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1IAY
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![BU of 1iay by Molmil](/molmil-images/mine/1iay) | CRYSTAL STRUCTURE OF ACC SYNTHASE COMPLEXED WITH COFACTOR PLP AND INHIBITOR AVG | Descriptor: | 1-AMINOCYCLOPROPANE-1-CARBOXYLATE SYNTHASE 2, 2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE | Authors: | Huai, Q, Xia, Y, Chen, Y, Callahan, B, Li, N, Ke, H. | Deposit date: | 2001-03-24 | Release date: | 2001-04-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of 1-aminocyclopropane-1-carboxylate (ACC) synthase in complex with aminoethoxyvinylglycine and pyridoxal-5'-phosphate provide new insight into catalytic mechanisms J.Biol.Chem., 276, 2001
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6U2W
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![BU of 6u2w by Molmil](/molmil-images/mine/6u2w) | EM structure of MPEG-1(L425K) pre-pore complex bound to liposome | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-20 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.63 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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7Y52
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![BU of 7y52 by Molmil](/molmil-images/mine/7y52) | Crystal structure of peptidyl-tRNA hydrolase from Enterococcus faecium | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Peptidyl-tRNA hydrolase, ... | Authors: | Pandey, R, Zohib, M, Mundra, S, Pal, R.K, Arora, A. | Deposit date: | 2022-06-16 | Release date: | 2024-01-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Characterization of structure of peptidyl-tRNA hydrolase from Enterococcus faecium and its inhibition by a pyrrolinone compound. Int.J.Biol.Macromol., 275, 2024
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6U23
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![BU of 6u23 by Molmil](/molmil-images/mine/6u23) | EM structure of MPEG-1(w.t.) soluble pre-pore | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | Authors: | Pang, S.S, Bayly-Jones, C. | Deposit date: | 2019-08-19 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | The cryo-EM structure of the acid activatable pore-forming immune effector Macrophage-expressed gene 1. Nat Commun, 10, 2019
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7YXV
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5SML
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![BU of 5sml by Molmil](/molmil-images/mine/5sml) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z68337194 (Mpro-IBM0045) | Descriptor: | 3C-like proteinase, 6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide, DIMETHYL SULFOXIDE | Authors: | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | Deposit date: | 2022-04-20 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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5SMN
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![BU of 5smn by Molmil](/molmil-images/mine/5smn) | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework -- Crystal structure of SARS-CoV-2 main protease in complex with Z1365651030 (Mpro-IBM0078) | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide | Authors: | Fearon, D, Owen, C.D, Lukacik, P, Strain-Damerell, C.M, von Delft, F. | Deposit date: | 2022-04-20 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | PanDDA analysis group deposition of SARS-CoV-2 main protease ligands identified from single sequence-guideddeep generative framework To Be Published
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