6TGI
 
 | | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | | Descriptor: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2019-11-15 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases.
Sci Rep, 10, 2020
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6TH6
 | | Cryo-EM Structure of T. kodakarensis 70S ribosome | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M. | | Deposit date: | 2019-11-18 | | Release date: | 2020-07-29 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
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8F0S
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-9296 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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8F0P
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the hybrid inhibitor GNE-1305 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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8F0R
 | | Structure of VSD4-NaV1.7-NaVPas channel chimera bound to the arylsulfonamide inhibitor GNE-3565 | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloro-4-({(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl}amino)-2-fluoro-N-(pyrimidin-4-yl)benzene-1-sulfonamide, ... | | Authors: | Kschonsak, M, Jao, C.C, Arthur, C.P, Rohou, A.L, Bergeron, P, Ortwine, D, McKerall, S.J, Hackos, D.H, Deng, L, Chen, J, Sutherlin, D, Dragovich, P.S, Volgraf, M, Wright, M.R, Payandeh, J, Ciferri, C, Tellis, J.C. | | Deposit date: | 2022-11-03 | | Release date: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM reveals an unprecedented binding site for Na V 1.7 inhibitors enabling rational design of potent hybrid inhibitors.
Elife, 12, 2023
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5NR6
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2APQ
 | | Crystal Structure of an Active Site Mutant of Bovine Pancreatic Ribonuclease A (H119A-RNase A) with a 10-Glutamine expansion in the C-terminal hinge-loop. | | Descriptor: | PHOSPHATE ION, Ribonuclease | | Authors: | Sambashivan, S, Liu, Y, Sawaya, M.R, Gingery, M, Eisenberg, D. | | Deposit date: | 2005-08-16 | | Release date: | 2005-09-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Amyloid-like fibrils of ribonuclease A with three-dimensional domain-swapped and native-like structure.
Nature, 437, 2005
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5N5S
 | | Crystal structure of aldehyde dehydrogenase 21 (ALDH21) from Physcomitrella patens in complex with NADP+ | | Descriptor: | 1,2-ETHANEDIOL, Aldehyde dehydrogenase 21 (ALDH21), NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Kopecny, D, Vigouroux, A, Briozzo, P, Morera, S. | | Deposit date: | 2017-02-14 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The ALDH21 gene found in lower plants and some vascular plants codes for a NADP(+) -dependent succinic semialdehyde dehydrogenase.
Plant J., 92, 2017
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5N6Q
 | | Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with 2-phenylacrylic acid | | Descriptor: | 2-Phenylacrylic acid, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | | Deposit date: | 2017-02-15 | | Release date: | 2017-05-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural insights into the ene-reductase synthesis of profens.
Org. Biomol. Chem., 15, 2017
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2VLN
 | | N75A mutant of E9 DNase domain in complex with Im9 | | Descriptor: | COLICIN E9, COLICIN-E9 IMMUNITY PROTEIN, MALONIC ACID | | Authors: | Keeble, A.H, Joachimiak, L.A, Mate, M.J, Meenan, N, Kirkpatrick, N, Baker, D, Kleanthous, C. | | Deposit date: | 2008-01-15 | | Release date: | 2008-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Experimental and Computational Analyses of the Energetic Basis for Dual Recognition of Immunity Proteins by Colicin Endonucleases.
J.Mol.Biol., 379, 2008
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2ASK
 | | Structure of human Artemin | | Descriptor: | SULFATE ION, artemin | | Authors: | Silvian, L, Jin, P, Carmillo, P, Boriack-Sjodin, P.A, Pelletier, C, Rushe, M, Gong, B.J, Sah, D, Pepinsky, B, Rossomando, A. | | Deposit date: | 2005-08-23 | | Release date: | 2006-06-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Artemin crystal structure reveals insights into heparan sulfate binding.
Biochemistry, 45, 2006
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6TAY
 | | Mouse RNF213 mutant R4753K modeling the Moyamoya-disease-related Human variant R4810K | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ... | | Authors: | Ahel, J, Meinhart, A, Haselbach, D, Clausen, T. | | Deposit date: | 2019-10-31 | | Release date: | 2020-07-01 | | Last modified: | 2021-01-13 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism.
Elife, 9, 2020
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5N8I
 | | Serial Cu nitrite reductase structures at elevated cryogenic temperature, 100K reference dataset. | | Descriptor: | COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION | | Authors: | Horrell, S, Kekilli, D, Hough, M, Strange, R. | | Deposit date: | 2017-02-23 | | Release date: | 2017-07-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase.
IUCrJ, 4, 2017
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2AW2
 | | Crystal structure of the human BTLA-HVEM complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, B and T lymphocyte attenuator, NICKEL (II) ION, ... | | Authors: | Compaan, D.M, Gonzalez, L.C, Tom, I, Loyet, K.M, Eaton, D, Hymowitz, S.G. | | Deposit date: | 2005-08-31 | | Release date: | 2005-09-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Attenuating Lymphocyte Activity: the crystal structure of the BTLA-HVEM complex
J.Biol.Chem., 280, 2005
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6T39
 | | Crystal structure of rsEGFP2 in its off-state determined by SFX | | Descriptor: | Green fluorescent protein | | Authors: | Woodhouse, J, Coquelle, N, Adam, V, Barends, T.R.M, De La Mora, E, Bourgeois, D, Colletier, J.P, Schlichting, I, Weik, M. | | Deposit date: | 2019-10-10 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.
Nat Commun, 11, 2020
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5NAP
 | | Torpedo californica acetylcholinesterase in complex with a non-chiral donepezil-like inhibitor 17 | | Descriptor: | (2~{E})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{H}-inden-1-one, Acetylcholinesterase, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Caliandro, R, Pesaresi, A, Lamba, D. | | Deposit date: | 2017-02-28 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.
J Enzyme Inhib Med Chem, 33, 2018
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6TI7
 | | Mixing Abeta(1-40) and Abeta(1-42) peptides generates unique amyloid fibrils | | Descriptor: | Amyloid-beta precursor protein | | Authors: | Cerofolini, L, Ravera, E, Bologna, S, Wiglenda, T, Boddrich, A, Purfurst, B, Benilova, A, Korsak, M, Gallo, G, Rizzo, D, Gonnelli, L, Fragai, M, De Strooper, B, Wanker, E.E, Luchinat, C. | | Deposit date: | 2019-11-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-06-19 | | Method: | SOLID-STATE NMR | | Cite: | Mixing A beta (1-40) and A beta (1-42) peptides generates unique amyloid fibrils.
Chem.Commun.(Camb.), 56, 2020
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6TD7
 | | Structure of truncated hemoglobin THB11 from Chlamydomonas reinhardtii | | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, THB11 | | Authors: | Huwald, D, Gasper, R, Hemschemeier, A, Hofmann, E. | | Deposit date: | 2019-11-08 | | Release date: | 2020-02-26 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Distinctive structural properties of THB11, a pentacoordinate Chlamydomonas reinhardtii truncated hemoglobin with N- and C-terminal extensions.
J.Biol.Inorg.Chem., 25, 2020
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2Y2D
 | | crystal structure of AmpD holoenzyme | | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, ZINC ION | | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | Deposit date: | 2010-12-14 | | Release date: | 2011-07-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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2AO5
 | | Crystal structure of an RNA duplex r(GGCGBrUGCGCU)2 with terminal and internal tandem G-U base pairs | | Descriptor: | 5'-R(*GP*GP*CP*GP*(5BU)P*GP*CP*GP*CP*U)-3', MAGNESIUM ION | | Authors: | Utsunomiya, R, Suto, K, Balasundaresan, D, Fukamizu, A, Kumar, P.K, Mizuno, H. | | Deposit date: | 2005-08-12 | | Release date: | 2006-03-28 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of an RNA duplex r(GGCGBrUGCGCU)2 with terminal and internal tandem G.U base pairs.
Acta Crystallogr.,Sect.D, 62, 2006
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2HLP
 | | CRYSTAL STRUCTURE OF THE E267R MUTANT OF A HALOPHILIC MALATE DEHYDROGENASE IN THE APO FORM | | Descriptor: | CHLORIDE ION, MALATE DEHYDROGENASE, SODIUM ION | | Authors: | Richard, S.B, Madern, D, Garcin, E, Zaccai, G. | | Deposit date: | 1999-04-23 | | Release date: | 2000-02-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Halophilic adaptation: novel solvent protein interactions observed in the 2.9 and 2.6 A resolution structures of the wild type and a mutant of malate dehydrogenase from Haloarcula marismortui.
Biochemistry, 39, 2000
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6T9C
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2XIX
 | | Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen | | Descriptor: | 3,5-DIAMINO-1H-[1,2,4]TRIAZOLE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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2XJ2
 | | Protein kinase Pim-1 in complex with small molecule inhibitor | | Descriptor: | (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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6TAC
 | | Human NAMPT deletion mutant in complex with nicotinamide mononucleotide, pyrophosphate, and Mg2+ | | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | | Deposit date: | 2019-10-29 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity
To Be Published
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