2IDS
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![BU of 2ids by Molmil](/molmil-images/mine/2ids) | Structure of M98A mutant of amicyanin, Cu(I) | Descriptor: | Amicyanin, COPPER (I) ION | Authors: | Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L. | Deposit date: | 2006-09-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties Biochemistry, 46, 2007
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3W3K
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![BU of 3w3k by Molmil](/molmil-images/mine/3w3k) | Crystal structure of human TLR8 in complex with CL075 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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5OK6
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![BU of 5ok6 by Molmil](/molmil-images/mine/5ok6) | Ubiquitin specific protease 11 USP11 - peptide F complex | Descriptor: | 1,2-ETHANEDIOL, ALA-GLU-GLY-GLU-PHE-TYR-LYS-LEU-LYS-ILE-ARG-THR-PRO-AAR, GLYCEROL, ... | Authors: | Spiliotopoulos, A, Dreveny, I. | Deposit date: | 2017-07-25 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of peptide ligands targeting a specific ubiquitin-like domain-binding site in the deubiquitinase USP11. J.Biol.Chem., 294, 2019
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3W3J
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![BU of 3w3j by Molmil](/molmil-images/mine/3w3j) | Crystal structure of human TLR8 in complex with CL097 | Descriptor: | 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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6SWU
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![BU of 6swu by Molmil](/molmil-images/mine/6swu) | Crystal structure of the TPR domain of KLC1 in complex with an engineered high-affinity cargo peptide. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Kinesin light chain 1,Kinesin light chain 1,TPR domain of kinesin light chain 1 in complex with an engineered high-affinity cargo peptide of sequence TVFTTEDIYEWDDSAI | Authors: | Chegkazi, M.S, Steiner, R.A. | Deposit date: | 2019-09-23 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.849 Å) | Cite: | Fragment-linking peptide design yields a high-affinity ligand for microtubule-based transport. Cell Chem Biol, 28, 2021
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5O8U
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![BU of 5o8u by Molmil](/molmil-images/mine/5o8u) | |
3W3L
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![BU of 3w3l by Molmil](/molmil-images/mine/3w3l) | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 1 | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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8DGG
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![BU of 8dgg by Molmil](/molmil-images/mine/8dgg) | Structure of glycosylated LAG-3 homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Silberstein, J.L, Mathews, I.I, Frank, J.A, Chan, K.-W, Fernandez, D, Du, J, Wang, J, Kong, X.-P, Cochran, J.R. | Deposit date: | 2022-06-23 | Release date: | 2022-08-17 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Structural insights reveal interplay between LAG-3 homodimerization, ligand binding, and function. Proc.Natl.Acad.Sci.USA, 121, 2024
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2IDT
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![BU of 2idt by Molmil](/molmil-images/mine/2idt) | Structure of M98Q mutant of amicyanin, Cu(II) | Descriptor: | Amicyanin, COPPER (II) ION | Authors: | Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L. | Deposit date: | 2006-09-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties Biochemistry, 46, 2007
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4IE9
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![BU of 4ie9 by Molmil](/molmil-images/mine/4ie9) | Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate | Descriptor: | GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ... | Authors: | Dreyer, M.K, Schiffer, A, Lodge, J. | Deposit date: | 2012-12-13 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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2ZHD
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![BU of 2zhd by Molmil](/molmil-images/mine/2zhd) | Exploring trypsin S3 pocket | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-02-04 | Release date: | 2009-02-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
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5WEH
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![BU of 5weh by Molmil](/molmil-images/mine/5weh) | Cytochrome c oxidase from Rhodobacter sphaeroides in the reduced state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Aa3-type cytochrome c oxidase subunit IV, CALCIUM ION, ... | Authors: | Liu, J, Ferguson-Miller, F, Ling, Q, Hiser, C. | Deposit date: | 2017-07-10 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Role of conformational change and K-path ligands in controlling cytochrome c oxidase activity. Biochem. Soc. Trans., 45, 2017
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7O50
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![BU of 7o50 by Molmil](/molmil-images/mine/7o50) | Crystal structure of human legumain in complex with Gly-Ser-Asn peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLY-SER-ASN, ... | Authors: | Dall, E, Brandstetter, H. | Deposit date: | 2021-04-07 | Release date: | 2021-09-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Peptide Ligase Activity of Human Legumain Depends on Fold Stabilization and Balanced Substrate Affinities. Acs Catalysis, 11, 2021
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4IJ9
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![BU of 4ij9 by Molmil](/molmil-images/mine/4ij9) | Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone | Descriptor: | 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Dreyer, M.K, Schiffer, A. | Deposit date: | 2012-12-21 | Release date: | 2013-05-01 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring J.Am.Chem.Soc., 135, 2013
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3W3N
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![BU of 3w3n by Molmil](/molmil-images/mine/3w3n) | Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 3 | Descriptor: | 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2012-12-22 | Release date: | 2013-04-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands Science, 339, 2013
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6SRI
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![BU of 6sri by Molmil](/molmil-images/mine/6sri) | Structure of the Fanconi anaemia core complex | Descriptor: | Fanconi anaemia protein FANCL, Unassigned secondary structure elements (base region, proposed FANCC-FANC-E-FANCF), ... | Authors: | Shakeel, S, Rajendra, E, Alcon, P, He, S, Scheres, S.H.W, Passmore, L.A. | Deposit date: | 2019-09-05 | Release date: | 2019-11-06 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structure of the Fanconi anaemia monoubiquitin ligase complex. Nature, 575, 2019
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4RPJ
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7UXX
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![BU of 7uxx by Molmil](/molmil-images/mine/7uxx) | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain | Descriptor: | ACETATE ION, GLYCEROL, Nucleoprotein | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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7UXZ
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![BU of 7uxz by Molmil](/molmil-images/mine/7uxz) | Crystal structure of SARS-CoV-2 nucleocapsid protein C-terminal domain complexed with Chicoric acid | Descriptor: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bezerra, E.H.S, Tonoli, C.C.C, Soprano, A.S, Franchini, K.G, Trivella, D.B.B, Benedetti, C.E. | Deposit date: | 2022-05-06 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Discovery and structural characterization of chicoric acid as a SARS-CoV-2 nucleocapsid protein ligand and RNA binding disruptor. Sci Rep, 12, 2022
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2NZI
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![BU of 2nzi by Molmil](/molmil-images/mine/2nzi) | |
8W4C
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![BU of 8w4c by Molmil](/molmil-images/mine/8w4c) | The sigma-1 receptor from Xenopus laevis in complex with progesterone by soaking | Descriptor: | PROGESTERONE, Sigma non-opioid intracellular receptor 1 | Authors: | Xiao, Y, Fu, C, Sun, Z, Zhou, X. | Deposit date: | 2023-08-23 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.676 Å) | Cite: | Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor. Nat Commun, 15, 2024
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8W4B
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![BU of 8w4b by Molmil](/molmil-images/mine/8w4b) | The sigma-1 receptor from Xenopus laevis in complex with progesterone by co-crystallization | Descriptor: | PROGESTERONE, Sigma non-opioid intracellular receptor 1 | Authors: | Xiao, Y, Fu, C, Sun, Z, Zhou, X. | Deposit date: | 2023-08-23 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.152 Å) | Cite: | Insight into binding of endogenous neurosteroid ligands to the sigma-1 receptor. Nat Commun, 15, 2024
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5OVB
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![BU of 5ovb by Molmil](/molmil-images/mine/5ovb) | Crystal structure of human BRD4(1) bromodomain in complex with DR46 | Descriptor: | Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2017-08-28 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
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5H9N
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![BU of 5h9n by Molmil](/molmil-images/mine/5h9n) | Crystal structure of LTBP1 Y114A mutant in complex with leukotriene C4 | Descriptor: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid, Lipocalin AI-4 | Authors: | Andersen, J.F. | Deposit date: | 2015-12-28 | Release date: | 2016-05-11 | Last modified: | 2017-05-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Structure and Ligand-Binding Mechanism of a Cysteinyl Leukotriene-Binding Protein from a Blood-Feeding Disease Vector. Acs Chem.Biol., 11, 2016
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8JRN
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![BU of 8jrn by Molmil](/molmil-images/mine/8jrn) | Structure of E6AP-E6 complex in Att1 state | Descriptor: | Protein E6, Ubiquitin-protein ligase E3A, ZINC ION | Authors: | Wang, Z, Yu, X. | Deposit date: | 2023-06-17 | Release date: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural insights into the functional mechanism of the ubiquitin ligase E6AP. Nat Commun, 15, 2024
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