4ZZ8
| X-ray crystal structure of chitosan-binding module 2 in complex with chitotriose derived from chitosanase/glucanase from Paenibacillus sp. IK-5 | Descriptor: | 1,2-ETHANEDIOL, 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Glucanase/chitosanase, ... | Authors: | Shinya, S, Oi, H, Kitaoku, Y, Ohnuma, T, Numata, T, Fukamizo, T. | Deposit date: | 2015-05-22 | Release date: | 2016-04-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mechanism of chitosan recognition by CBM32 carbohydrate-binding modules from a Paenibacillus sp. IK-5 chitosanase/glucanase Biochem.J., 473, 2016
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7B6I
| Crystal structure of MurE from E.coli in complex with Z1373445602 | Descriptor: | 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-07 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | Crystal structure of MurE from E.coli To Be Published
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7AVC
| DoBi scaffold based on PIH1D1 N-terminal domain | Descriptor: | GLYCEROL, PIH1 domain-containing protein 1, SODIUM ION | Authors: | Kolenko, P, Pham, N.P, Pavlicek, J, Mikulecky, P, Schneider, B. | Deposit date: | 2020-11-05 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protein Binder (ProBi) as a New Class of Structurally Robust Non-Antibody Protein Scaffold for Directed Evolution. Viruses, 13, 2021
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7AH4
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0363 | Descriptor: | 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | Deposit date: | 2020-09-24 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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7AH6
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0752 | Descriptor: | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ... | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | Deposit date: | 2020-09-24 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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5AA3
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6J32
| Crystal Structure Analysis of the Glycotransferase of kitacinnamycin | Descriptor: | Kcn28 | Authors: | Shi, J, Liu, C.L, Zhang, B, Guo, W.J, Zhu, J.P, Xu, X, Xu, Q, Jiao, R.H, Tan, R.X, Ge, H.M. | Deposit date: | 2019-01-03 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Genome mining and biosynthesis of kitacinnamycins as a STING activator. Chem Sci, 10, 2019
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5A80
| Crystal structure of human JMJD2A in complex with compound 40 | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[2-(3-methoxyphenyl)ethanoylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, ... | Authors: | Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U. | Deposit date: | 2015-07-11 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors. J.Med.Chem., 59, 2016
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7AH5
| Crystal structure of indoleamine 2,3-dioxygenase 1 (IDO1) in complex with ferric heme and MMG-0706 | Descriptor: | 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Roehrig, U.F, Reynaud, A, Pojer, F, Michielin, O, Zoete, V. | Deposit date: | 2020-09-24 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Azole-Based Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. J.Med.Chem., 64, 2021
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6SKN
| Structure of the native full-length HIV-1 capsid protein in helical assembly (-13,8) | Descriptor: | Gag protein | Authors: | Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P. | Deposit date: | 2019-08-16 | Release date: | 2020-08-26 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A. Nat.Struct.Mol.Biol., 27, 2020
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5AC8
| S. enterica HisA with mutations D10G, dup13-15, G102A | Descriptor: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION | Authors: | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | Deposit date: | 2015-08-12 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6J79
| Fusion protein of heme oxygenase-1 and NADPH-cytochrome P450 reductase (13aa) | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, Heme oxygenase 1,NADPH--cytochrome P450 reductase, ... | Authors: | Sugishima, M, Wada, K. | Deposit date: | 2019-01-17 | Release date: | 2019-04-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.331 Å) | Cite: | Crystal structure of a NADPH-cytochrome P450 oxidoreductase (CYPOR) and heme oxygenase 1 fusion protein implies a conformational change in CYPOR upon NADPH/NADP+binding. Febs Lett., 593, 2019
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6SKQ
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7AQ1
| Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Linnert, M, Parthier, C, Fritz, C. | Deposit date: | 2020-10-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor. Int J Mol Sci, 22, 2021
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5A2M
| Thrombin Inhibitor | Descriptor: | (2S)-1-[(2R)-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]-N-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2015-05-20 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Thrombin Inhibition To be Published
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5A2T
| The Molecular Basis for Flexibility in the Flexible Filamentous Plant Viruses | Descriptor: | BAMBOO MOSAIC VIRUS, COAT PROTEIN | Authors: | DiMaio, F, Chen, C.C, Yu, X, Frenz, B, Hsu, Y.H, Lin, N.S, Egelman, E.H. | Deposit date: | 2015-05-23 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | The Molecular Basis for Flexibility in the Flexible Filamentous Plant Viruses. Nat.Struct.Mol.Biol., 22, 2015
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7AHP
| Crystal structure of Ixodes ricinus serpin - Iripin-3 | Descriptor: | Putative salivary serpin, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM | Authors: | Kascakova, B, Kuta Smatanova, I, Prudnikova, T. | Deposit date: | 2020-09-25 | Release date: | 2021-03-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro Front Immunol, 12, 2021
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6T1G
| Streptavidin variants harbouring an artificial organocatalyst based cofactor | Descriptor: | 1,2-ETHANEDIOL, 5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide, Streptavidin | Authors: | Lechner, H, Hocker, B. | Deposit date: | 2019-10-04 | Release date: | 2020-10-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | An Artificial Cofactor Catalyzing the Baylis-Hillman Reaction with Designed Streptavidin as Protein Host*. Chembiochem, 22, 2021
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7AHI
| Substrate-engaged type 3 secretion system needle complex from Salmonella enterica typhimurium - SpaR state 2 | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, LAURYL DIMETHYLAMINE-N-OXIDE, Lipoprotein PrgK, ... | Authors: | Fahrenkamp, D, Goessweiner-Mohr, N, Miletic, S, Wald, J, Marlovits, T. | Deposit date: | 2020-09-24 | Release date: | 2021-03-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Substrate-engaged type III secretion system structures reveal gating mechanism for unfolded protein translocation Nat Commun, 12, 2021
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7AVR
| The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase 1 | Authors: | Mazur, A, Kolenko, P, Prudnikova, T, Grinkevich, P, Kuta Smatanova, I. | Deposit date: | 2020-11-05 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2. Acta Crystallogr D Struct Biol, 77, 2021
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5ACW
| VIM-2-1, Discovery of novel inhibitor scaffolds against the metallo- beta-lactamase VIM-2 by SPR based fragment screening | Descriptor: | 4-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thiol, BETA-LACTAMASE, CHLORIDE ION, ... | Authors: | Christopeit, T, Carlsen, T.J.O, Helland, R, Leiros, H.K.S. | Deposit date: | 2015-08-18 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of Novel Inhibitor Scaffolds Against the Metallo-Beta-Lactamase Vim-2 by Spr Based Fragment Screening J.Med.Chem., 58, 2015
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5AK6
| ligand complex structure of soluble epoxide hydrolase | Descriptor: | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ... | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-02 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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7AGX
| Apo-state type 3 secretion system export apparatus complex from Salmonella enterica typhimurium | Descriptor: | Protein PrgI, Protein PrgJ, Surface presentation of antigens protein SpaP, ... | Authors: | Goessweiner-Mohr, N, Fahrenkamp, D, Miletic, S, Wald, J, Marlovits, T. | Deposit date: | 2020-09-23 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Substrate-engaged type III secretion system structures reveal gating mechanism for unfolded protein translocation. Nat Commun, 12, 2021
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7AHS
| titin-N2A Ig81-Ig83 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Isoform 5 of Titin, ... | Authors: | Fleming, J.R, Mayans, O. | Deposit date: | 2020-09-25 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The N2A region of titin has a unique structural configuration. J.Gen.Physiol., 153, 2021
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4ZVQ
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