6KP0
| Crystal structure of two domain M1 zinc metallopeptidase E323A mutant bound to L-arginine | Descriptor: | ARGININE, SODIUM ION, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2019-08-13 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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3KQF
| 1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis. | Descriptor: | CALCIUM ION, CHLORIDE ION, Enoyl-CoA hydratase/isomerase family protein | Authors: | Minasov, G, Halavaty, A, Wawrzak, Z, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-11-17 | Release date: | 2009-11-24 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 1.8 Angstrom Resolution Crystal Structure of Enoyl-CoA Hydratase from Bacillus anthracis. TO BE PUBLISHED
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3BX8
| Engineered Human Lipocalin 2 (LCN2), apo-form | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ENGINEERED HUMAN LIPOCALIN 2, PENTAETHYLENE GLYCOL | Authors: | Schonfeld, D.L, Chatwell, L, Skerra, A. | Deposit date: | 2008-01-11 | Release date: | 2009-01-20 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High affinity molecular recognition and functional blockade of CTLA-4 by an engineered human lipocalin To be Published
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6KR6
| Crystal structure of Drosophila Piwi | Descriptor: | MERCURY (II) ION, Protein piwi, ZINC ION, ... | Authors: | Yamaguchi, S, Oe, A, Yamashita, K, Hirano, S, Mastumoto, N, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2019-08-21 | Release date: | 2020-02-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of Drosophila Piwi. Nat Commun, 11, 2020
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6KSG
| Vibrio cholerae Methionine Aminopeptidase in holo form | Descriptor: | GLYCEROL, Methionine aminopeptidase, NICKEL (II) ION, ... | Authors: | Pillalamarri, V, Addlagatta, A. | Deposit date: | 2019-08-23 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp. Eur.J.Med.Chem., 209, 2020
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3KUU
| Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis | Descriptor: | Phosphoribosylaminoimidazole carboxylase catalytic subunit PurE, SULFATE ION | Authors: | Anderson, S.M, Wawrzak, Z, Brunzelle, J.S, Onopriyenko, O, Kwon, K, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-11-27 | Release date: | 2009-12-22 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Structure of the PurE Phosphoribosylaminoimidazole Carboxylase Catalytic Subunit from Yersinia pestis To be Published
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5LIX
| Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK184 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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6KOZ
| Crystal structure of two domain M1 zinc metallopeptidase E323 mutant bound to L-Leucine amino acid | Descriptor: | LEUCINE, SODIUM ION, ZINC ION, ... | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2019-08-13 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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3L4I
| CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-20 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate To be Published
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7WYI
| Native Photosystem I of Chlamydomonas reinhardtii | Descriptor: | CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ... | Authors: | Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H. | Deposit date: | 2022-02-16 | Release date: | 2023-02-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin. Biochim Biophys Acta Bioenerg, 1864, 2023
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6U6X
| Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide | Descriptor: | DNA SC-GS-SC-SC-DT, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | Deposit date: | 2019-08-30 | Release date: | 2020-09-02 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification. Nat Commun, 12, 2021
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3BUG
| BACE-1 complexed with compound 3 | Descriptor: | 4-(2-aminoethyl)-2-ethylphenol, BETA-SECRETASE 1 | Authors: | Kuglstatter, A, Hennig, M. | Deposit date: | 2008-01-02 | Release date: | 2008-03-11 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Tyramine fragment binding to BACE-1 Bioorg.Med.Chem.Lett., 18, 2008
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3STM
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3KS9
| Metabotropic glutamate receptor mGluR1 complexed with LY341495 antagonist | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-20 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metabotropic glutamate receptor mglur1 complexed with LY341495 antagonist To be Published
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7WZN
| PSI-LHCI from Chlamydomonas reinhardtii with bound ferredoxin | Descriptor: | CHLOROPHYLL A, CHLOROPHYLL A ISOMER, CHLOROPHYLL B, ... | Authors: | Kurisu, G, Gerle, C, Mitsuoka, K, Kawamoto, A, Tanaka, H. | Deposit date: | 2022-02-18 | Release date: | 2023-02-22 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (4.9 Å) | Cite: | Three structures of PSI-LHCI from Chlamydomonas reinhardtii suggest a resting state re-activated by ferredoxin. Biochim Biophys Acta Bioenerg, 1864, 2023
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6U6Y
| Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ... | Authors: | Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N. | Deposit date: | 2019-08-30 | Release date: | 2020-09-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification. Nat Commun, 12, 2021
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5EIC
| Crystal structure of the bromodomain of human CREBBP in complex with AYC | Descriptor: | 1,2-ETHANEDIOL, 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, CREB-binding protein | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2015-10-29 | Release date: | 2016-11-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
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5LSP
| 107_A07 Fab in complex with fragment of the Met receptor | Descriptor: | 107_A07 Fab heavy chain, 107_A07 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | DiCara, D, Chirgadze, D.Y, Pope, A, Karatt-Vellatt, A, Winter, A, van den Heuvel, J, Gherardi, E, McCafferty, J. | Deposit date: | 2016-09-05 | Release date: | 2017-09-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.605 Å) | Cite: | Characterization and structural determination of a new anti-MET function-blocking antibody with binding epitope distinct from the ligand binding domain. Sci Rep, 7, 2017
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6KOY
| Crystal structure of two domain M1 Zinc metallopeptidase E323A mutant bound to L-tryptophan amino acid | Descriptor: | TRYPTOPHAN, ZINC ION, Zinc metalloprotease | Authors: | Agrawal, R, Kumar, A, Kumar, A, Makde, R.D. | Deposit date: | 2019-08-13 | Release date: | 2020-01-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase. Int.J.Biol.Macromol., 147, 2020
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3KUX
| Structure of the YPO2259 putative oxidoreductase from Yersinia pestis | Descriptor: | CHLORIDE ION, Putative oxidoreductase | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Kwon, K, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-11-28 | Release date: | 2009-12-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of the YPO2259 putative oxidoreductase from Yersinia pestis To be Published
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5LZ0
| Llama nanobody PorM_01 | Descriptor: | PorM nanobody | Authors: | Duhoo, Y, Leone, P, Roussel, A. | Deposit date: | 2016-09-29 | Release date: | 2017-05-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis. Acta Crystallogr F Struct Biol Commun, 73, 2017
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6L4V
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3T6V
| Crystal Structure of Laccase from Steccherinum ochraceum | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M. | Deposit date: | 2011-07-29 | Release date: | 2012-04-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments. J.Inorg.Biochem., 111, 2012
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7X5P
| Truncated VhChiP (1-19aa) in complex with doxycycline | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, Chitoporin, ... | Authors: | Sanram, S, Robinson, C.R, Aunkham, A, Suginta, W. | Deposit date: | 2022-03-05 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and function of truncated VhChiP To Be Published
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5LGU
| Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34 | Descriptor: | 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | Authors: | Mattevi, A, Ciossani, G. | Deposit date: | 2016-07-08 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship. J. Med. Chem., 60, 2017
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