6HYC
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8RND
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![BU of 8rnd by Molmil](/molmil-images/mine/8rnd) | Cathepsin S in complex with NNPI-C10 inhibitor | Descriptor: | 1,2-ETHANEDIOL, Cathepsin S, DI(HYDROXYETHYL)ETHER, ... | Authors: | Petruzzella, A, Lau, K, Pojer, F, Oricchio, E. | Deposit date: | 2024-01-09 | Release date: | 2024-06-05 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Antibody-peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins. Nat.Chem.Biol., 2024
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8BGA
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![BU of 8bga by Molmil](/molmil-images/mine/8bga) | Structure of Mpro in complex with FGA146 | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide | Authors: | Medrano, F.J, Romero, A. | Deposit date: | 2022-10-27 | Release date: | 2023-11-08 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Commun Chem, 7, 2024
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8OYD
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4WC3
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![BU of 4wc3 by Molmil](/molmil-images/mine/4wc3) | Structure of tRNA-processing enzyme complex 1 | Descriptor: | Poly A polymerase, RNA 76-mer | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-09-04 | Release date: | 2015-04-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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4WBZ
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![BU of 4wbz by Molmil](/molmil-images/mine/4wbz) | tRNA-processing enzyme (apo form 2) | Descriptor: | Poly A polymerase | Authors: | Yamashita, S, Tomtia, K. | Deposit date: | 2014-09-04 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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4WC2
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4WC1
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![BU of 4wc1 by Molmil](/molmil-images/mine/4wc1) | Structure of tRNA-processing enzyme with CTP | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Poly A polymerase | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-09-04 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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4WC7
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![BU of 4wc7 by Molmil](/molmil-images/mine/4wc7) | Structure of tRNA-processing enzyme complex 5 | Descriptor: | CYTIDINE-5'-TRIPHOSPHATE, Poly A polymerase, RNA (75-MER) | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-09-04 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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4X0A
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![BU of 4x0a by Molmil](/molmil-images/mine/4x0a) | Structure of tRNA-processing enzyme complex 6 | Descriptor: | Poly A polymerase, RNA (73-MER) | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-11-21 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.505 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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4X0B
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![BU of 4x0b by Molmil](/molmil-images/mine/4x0b) | Structure of tRNA-processing enzyme complex 7 | Descriptor: | Poly A polymerase, RNA (77-MER) | Authors: | Yamashita, S, Tomita, K. | Deposit date: | 2014-11-21 | Release date: | 2015-04-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme. Structure, 23, 2015
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7R20
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![BU of 7r20 by Molmil](/molmil-images/mine/7r20) | Anti-Arc nanobody E5 | Descriptor: | Anti-Arc nanobody E5, GLYCEROL, SULFATE ION | Authors: | Markusson, S, Kursula, P. | Deposit date: | 2022-02-03 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | High-affinity anti-Arc nanobodies provide tools for structural and functional studies. Plos One, 17, 2022
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7R1Z
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3G3N
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![BU of 3g3n by Molmil](/molmil-images/mine/3g3n) | PDE7A catalytic domain in complex with 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one | Descriptor: | 3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, MAGNESIUM ION, ... | Authors: | Castano, T, Wang, H. | Deposit date: | 2009-02-02 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors Chemmedchem, 4, 2009
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6H0U
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![BU of 6h0u by Molmil](/molmil-images/mine/6h0u) | Glycogen synthase kinase-3 beta (GSK3) complex with a covalent [1,2,4]triazolo[1,5-a][1,3,5]triazine inhibitor | Descriptor: | (2~{R})-3-[7-azanyl-5-(cyclohexylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-2-yl]-2-cyano-propanamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Marcovich, I, Demitri, N, De Zorzi, R, Storici, P. | Deposit date: | 2018-07-10 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Triazolotriazine-Based Dual GSK-3 beta /CK-1 delta Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition. Chemmedchem, 14, 2019
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7QHE
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![BU of 7qhe by Molmil](/molmil-images/mine/7qhe) | Human Butyrylcholinesterase in complex with (S)-1-(4-((naphthalen-1-yl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-(naphthalen-1-ylcarbamoyl)phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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7QHD
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![BU of 7qhd by Molmil](/molmil-images/mine/7qhd) | Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide | Descriptor: | (3~{S})-1-[[4-[2-(1~{H}-indol-3-yl)ethylcarbamoyl]phenyl]methyl]-~{N}-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidine-3-carboxamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Brazzolotto, X, Jing, L, Zhan, P, Liu, X, Nachon, F. | Deposit date: | 2021-12-12 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134, 2023
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2L7S
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1PAH
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5NMA
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![BU of 5nma by Molmil](/molmil-images/mine/5nma) | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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5NMB
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![BU of 5nmb by Molmil](/molmil-images/mine/5nmb) | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{S},5~{R})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, Nuclear receptor coactivator 1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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5NKY
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![BU of 5nky by Molmil](/molmil-images/mine/5nky) | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain | Descriptor: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-1-[(2~{R},5~{S})-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]ethyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol, SRC1, Vitamin D3 receptor A | Authors: | Rochel, N, Belorusova, A.Y. | Deposit date: | 2017-04-03 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Structure-activity relationship study of vitamin D analogs with oxolane group in their side chain. Eur J Med Chem, 134, 2017
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6YTU
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![BU of 6ytu by Molmil](/molmil-images/mine/6ytu) | Atomic-resolution structure of the coiled-coil dimerisation domain of human Arc | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Activity-regulated cytoskeleton-associated protein, CHLORIDE ION | Authors: | Hallin, E.I, Touma, C, Bramham, C.R, Kursula, P. | Deposit date: | 2020-04-24 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Arc self-association and formation of virus-like capsids are mediated by an N-terminal helical coil motif. Febs J., 288, 2021
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