5FAH
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![BU of 5fah by Molmil](/molmil-images/mine/5fah) | KALLIKREIN-7 IN COMPLEX WITH COMPOUND1 | Descriptor: | (2~{S})-~{N}2-[2-(4-methoxyphenyl)ethyl]-~{N}1-(naphthalen-1-ylmethyl)pyrrolidine-1,2-dicarboxamide, ACETATE ION, Kallikrein-7 | Authors: | Ostermann, N, Zink, F. | Deposit date: | 2015-12-11 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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7C7N
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5F8R
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![BU of 5f8r by Molmil](/molmil-images/mine/5f8r) | Blood group antigen binding adhesin BabA of Helicobacter pylori strain S831 in complex with blood group H Lewis b hexasaccharide | Descriptor: | Adhesin binding fucosylated histo-blood group antigen,Adhesin,Adhesin binding fucosylated histo-blood group antigen, Nanobody Nb-ER19, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Moonens, K, Gideonsson, P, Subedi, S, Romao, E, Oscarson, S, Muyldermans, S, Boren, T, Remaut, H. | Deposit date: | 2015-12-09 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Insights into Polymorphic ABO Glycan Binding by Helicobacter pylori. Cell Host Microbe, 19, 2016
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6WZG
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![BU of 6wzg by Molmil](/molmil-images/mine/6wzg) | Human secretin receptor Gs complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Piper, S.J, Belousoff, M.J, Danev, R. | Deposit date: | 2020-05-13 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structure and dynamics of the active Gs-coupled human secretin receptor. Nat Commun, 11, 2020
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5FCK
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![BU of 5fck by Molmil](/molmil-images/mine/5fck) | COMPLEMENT FACTOR D IN COMPLEX WITH COMPOUND 5 | Descriptor: | 1-[2-[(1~{R},3~{S},5~{R})-3-[[(1~{R})-1-(3-chloranyl-2-fluoranyl-phenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxidanylidene-ethyl]pyrazolo[3,4-c]pyridine-3-carboxamide, Complement factor D, SULFATE ION | Authors: | Mac Sweeney, A. | Deposit date: | 2015-12-15 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Small-molecule factor D inhibitors targeting the alternative complement pathway. Nat.Chem.Biol., 12, 2016
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5WIV
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![BU of 5wiv by Molmil](/molmil-images/mine/5wiv) | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | Deposit date: | 2017-07-20 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.143 Å) | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists. Science, 358, 2017
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7COI
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![BU of 7coi by Molmil](/molmil-images/mine/7coi) | Crystal structure of the b-carbonic anhydrase CafA of the fungal pathogen Aspergillus fumigatus | Descriptor: | ACETATE ION, Carbonic anhydrase, ZINC ION | Authors: | Jin, M.S, Kim, S, Yeon, J, Sung, J. | Deposit date: | 2020-08-04 | Release date: | 2020-10-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of beta-Carbonic Anhydrase CafA from the Fungal Pathogen Aspergillus fumigatus . Mol.Cells, 43, 2020
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7CAI
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![BU of 7cai by Molmil](/molmil-images/mine/7cai) | SARS-CoV-2 S trimer with two RBDs in the open state and complexed with two H014 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of H014 Fab, ... | Authors: | Zhe, L, Cao, L, Deng, Y, Sun, Y, Wang, N, Xie, L, Wang, Y, Rao, Z, Qin, C, Wang, X. | Deposit date: | 2020-06-08 | Release date: | 2020-09-23 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structural basis for neutralization of SARS-CoV-2 and SARS-CoV by a potent therapeutic antibody. Science, 369, 2020
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6X4I
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![BU of 6x4i by Molmil](/molmil-images/mine/6x4i) | Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with 3'-uridinemonophosphate | Descriptor: | 1,2-ETHANEDIOL, 3'-URIDINEMONOPHOSPHATE, SODIUM ION, ... | Authors: | Chang, C, Kim, Y, Maltseva, N, Jedrzejczak, R, Endres, M, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-05-22 | Release date: | 2020-06-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Tipiracil binds to uridine site and inhibits Nsp15 endoribonuclease NendoU from SARS-CoV-2. Commun Biol, 4, 2021
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4JSZ
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![BU of 4jsz by Molmil](/molmil-images/mine/4jsz) | Benzenesulfonamide bound to hCAII H94C | Descriptor: | Carbonic anhydrase 2, ZINC ION, benzenesulfonamide | Authors: | Martin, D.P, Hann, Z.S, Cohen, S.M. | Deposit date: | 2013-03-22 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metalloprotein-Inhibitor Binding: Human Carbonic Anhydrase II as a Model for Probing Metal-Ligand Interactions in a Metalloprotein Active Site. Inorg.Chem., 52, 2013
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8G1A
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![BU of 8g1a by Molmil](/molmil-images/mine/8g1a) | Cryo-EM structure of Nav1.7 with CBD | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2023-02-01 | Release date: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Cannabidiol inhibits Na v channels through two distinct binding sites. Nat Commun, 14, 2023
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4J5D
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![BU of 4j5d by Molmil](/molmil-images/mine/4j5d) | Human Cyclophilin D Complexed with an Inhibitor | Descriptor: | 1-(4-aminobenzyl)-3-{2-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl}urea, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Gelin, M, Colliandre, L, Bessin, Y, Guichou, J.F. | Deposit date: | 2013-02-08 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities. Nat Commun, 7, 2016
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7US1
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![BU of 7us1 by Molmil](/molmil-images/mine/7us1) | Structure of parkin (R0RB) bound to two phospho-ubiquitin molecules | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase parkin, ... | Authors: | Fakih, R, Sauve, V, Gehring, K. | Deposit date: | 2022-04-22 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.484 Å) | Cite: | Structure of the second phosphoubiquitin-binding site in parkin. J.Biol.Chem., 298, 2022
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6WRU
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6X1A
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![BU of 6x1a by Molmil](/molmil-images/mine/6x1a) | Non peptide agonist PF-06882961, bound to Glucagon-Like peptide-1 (GLP-1) Receptor | Descriptor: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid, Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Belousoff, M.J, Zhang, X, Danev, R. | Deposit date: | 2020-05-18 | Release date: | 2020-09-09 | Last modified: | 2020-11-18 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Differential GLP-1R Binding and Activation by Peptide and Non-peptide Agonists. Mol.Cell, 80, 2020
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5WUU
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5WQA
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![BU of 5wqa by Molmil](/molmil-images/mine/5wqa) | Crystal structure of PDE4D catalytic domain complexed with Selaginpulvilins K | Descriptor: | 1-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-oxidanyl-fluorene-2-carbaldehyde, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y, Zhang, T, Zheng, X, Yin, S, Luo, H.B. | Deposit date: | 2016-11-24 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The discovery, complex crystal structure, and recognition mechanism of a novel natural PDE4 inhibitor from Selaginella pulvinata Biochem. Pharmacol., 130, 2017
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7CJZ
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7CKR
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![BU of 7ckr by Molmil](/molmil-images/mine/7ckr) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation. | Descriptor: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-07-18 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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6WI9
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![BU of 6wi9 by Molmil](/molmil-images/mine/6wi9) | Human secretin receptor Gs complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Belousoff, M.J, Khoshouei, M. | Deposit date: | 2020-04-09 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Structure and dynamics of the active Gs-coupled human secretin receptor. Nat Commun, 11, 2020
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8FN4
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![BU of 8fn4 by Molmil](/molmil-images/mine/8fn4) | Cryo-EM structure of RNase-treated RESC-A in trypanosomal RNA editing | Descriptor: | RNA-editing substrate-binding complex protein 1 (RESC1), RNA-editing substrate-binding complex protein 2 (RESC2), RNA-editing substrate-binding complex protein 3 (RESC3), ... | Authors: | Liu, S, Wang, H, Li, X, Zhang, F, Lee, J.K.J, Li, Z, Yu, C, Zhao, X, Hu, J.J, Suematsu, T, Alvarez-Cabrera, A.L, Liu, Q, Zhang, L, Huang, L, Aphasizheva, I, Aphasizhev, R, Zhou, Z.H. | Deposit date: | 2022-12-26 | Release date: | 2023-07-19 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of gRNA stabilization and mRNA recognition in trypanosomal RNA editing. Science, 381, 2023
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7UY1
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![BU of 7uy1 by Molmil](/molmil-images/mine/7uy1) | HUMAN PRMT5:MEP50 COMPLEX WITH MTA and Fragment 5 Bound | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Gunn, R.J. | Deposit date: | 2022-05-06 | Release date: | 2022-10-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits. Rsc Med Chem, 13, 2022
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5GXO
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![BU of 5gxo by Molmil](/molmil-images/mine/5gxo) | Discovery of a compound that activates SIRT3 to deacetylate Manganese Superoxide Dismutase | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Lu, J, Li, J, Wu, M, Wang, J, Xia, Q. | Deposit date: | 2016-09-19 | Release date: | 2017-08-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A small molecule activator of SIRT3 promotes deacetylation and activation of manganese superoxide dismutase. Free Radic. Biol. Med., 112, 2017
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4JVJ
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![BU of 4jvj by Molmil](/molmil-images/mine/4jvj) | Crystal structure of human FPPS in complex with magnesium, CL01131, and sulfate | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | Authors: | Park, J, Leung, C.-Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2013-03-25 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Thienopyrimidine Bisphosphonate (ThPBP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase: Optimization and Characterization of the Mode of Inhibition. J.Med.Chem., 56, 2013
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4JL4
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