6BAO
| Stigmatella aurantiaca phytochrome photosensory core module, wild type | Descriptor: | 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP | Authors: | Schmidt, M, Stojkovic, E. | Deposit date: | 2017-10-14 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for light control of cell development revealed by crystal structures of a myxobacterial phytochrome. IUCrJ, 5, 2018
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5LQY
| Structure of F-ATPase from Pichia angusta, in state2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase OSCP subunit, ... | Authors: | Vinothkumar, K.R, Montgomery, M.G, Liu, S, Walker, J.E. | Deposit date: | 2016-08-17 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Structure of the mitochondrial ATP synthase fromPichia angustadetermined by electron cryo-microscopy. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6HMK
| POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690 | Descriptor: | 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Tucker, J.A, Barkauskaite, E. | Deposit date: | 2018-09-12 | Release date: | 2018-11-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides. J.Med.Chem., 61, 2018
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6HWA
| Yeast 20S proteasome in complex with 43 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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7Q5A
| Lanreotide nanotube | Descriptor: | Lanreotide | Authors: | Pieri, L, Wang, F, Arteni, A.A, Bressanelli, S, Egelman, E.H, Paternostre, M. | Deposit date: | 2021-11-03 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (2.46 Å) | Cite: | Atomic structure of Lanreotide nanotubes revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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5J6S
| Crystal structure of Endoplasmic Reticulum Aminopeptidase 2 (ERAP2) in complex with a hydroxamic derivative ligand | Descriptor: | (2S)-N~1~-benzyl-2-[(4-fluorophenyl)methyl]-N~3~-hydroxypropanediamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Saridakis, E, Giastas, P, Mpakali, A, Deprez-Poulain, R, Stratikos, E. | Deposit date: | 2016-04-05 | Release date: | 2017-03-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structures of ERAP2 Complexed with Inhibitors Reveal Pharmacophore Requirements for Optimizing Inhibitor Potency. ACS Med Chem Lett, 8, 2017
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7TB9
| Structural characterization of the biological synthetic peptide pCEMP1 | Descriptor: | CEMP1-p1 | Authors: | Lopez Giraldo, A, del Rio Portilla, F, Nidome Campos, M, Romo Arevalo, E, Arzate, H. | Deposit date: | 2021-12-21 | Release date: | 2023-01-18 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of cementum protein 1 derived peptide (CEMP1-p1) and its role in the mineralization process. J.Pept.Sci., 29, 2023
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5LEO
| Complex structure of lysostaphin SH3b domain with peptidoglycan fragment | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLY-GLY-GLY-GLY-GLY, Lysostaphin, ... | Authors: | Jagielska, E, Nowak, E, Bochtler, M, Sabala, I. | Deposit date: | 2016-06-30 | Release date: | 2017-07-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Complex structure of lysostaphin SH3doamin with peptidoglycan fragment To Be Published
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5LHN
| The catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 | Descriptor: | 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, SULFATE ION, ... | Authors: | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P, Andreasen, P.A. | Deposit date: | 2016-07-12 | Release date: | 2017-06-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator. Sci Rep, 7, 2017
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7T6E
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8AHH
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6NOM
| NMR solution structure of Pisum sativum defensin 2 (Psd2) provides evidence for the presence of hydrophobic surface clusters | Descriptor: | Defensin-2 | Authors: | Pinheiro-Aguiar, R, Amaral, V.S.G, Bastos, I, Kurtenbach, E, Almeida, F.C.L. | Deposit date: | 2019-01-16 | Release date: | 2019-08-21 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance solution structure of Pisum sativum defensin 2 provides evidence for the presence of hydrophobic surface-clusters. Proteins, 88, 2020
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8SZ4
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6HTD
| Yeast 20S proteasome with human beta2c (S171G) in complex with 4 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-03 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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8DD2
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus Zolpidem | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, S, Hibbs, R.E. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities. Nat Commun, 13, 2022
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6O0C
| NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L | Descriptor: | Design construct XAA_GVDQ mutant M4L | Authors: | Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D. | Deposit date: | 2019-02-15 | Release date: | 2020-04-22 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Proc.Natl.Acad.Sci.USA, 117, 2020
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8AHG
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5LL5
| Crystal structure of human carbonic anhydrase isozyme XII with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, Carbonic anhydrase 12, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-26 | Release date: | 2017-08-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
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8SUV
| CHIP-TPR in complex with the C-terminus of CHIC2 | Descriptor: | Cysteine-rich hydrophobic domain-containing protein 2, E3 ubiquitin-protein ligase CHIP, SULFATE ION | Authors: | Cupo, A.R, McDermott, L.E, DeSilva, A.R, Callahan, M, Nix, J.C, Gestwicki, J.E, Page, R.C. | Deposit date: | 2023-05-13 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Interaction with the membrane-anchored protein CHIC2 constrains the ubiquitin ligase activity of CHIP Biorxiv, 2023
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6HUU
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8DD3
| Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus DMCM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | Authors: | Zhu, S, Hibbs, R.E. | Deposit date: | 2022-06-17 | Release date: | 2022-08-17 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural and dynamic mechanisms of GABA A receptor modulators with opposing activities. Nat Commun, 13, 2022
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6Z7X
| Insulin analytical antibody OXI-005 Fab | Descriptor: | OXI-005 Fab Heavy chain, OXI-005 Fab Light chain | Authors: | Johansson, E. | Deposit date: | 2020-06-02 | Release date: | 2020-12-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties. Protein Sci., 30, 2021
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6HVW
| Yeast 20S proteasome with human beta2i (1-53) in complex with 43 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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8AHI
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5LLA
| Crystal structure of human carbonic anhydrase isozyme XIII with 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide, CITRIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2016-07-27 | Release date: | 2017-08-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
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