5X4W
 
 | | Mutant human thymidylate synthase A191K crystallized in a sulfate-free condition | | Descriptor: | PHOSPHATE ION, Thymidylate synthase | | Authors: | Chen, D, Jansson, A, Larsson, A, Nordlund, P. | | Deposit date: | 2017-02-14 | | Release date: | 2017-06-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural analyses of human thymidylate synthase reveal a site that may control conformational switching between active and inactive states
J. Biol. Chem., 292, 2017
|
|
5XR8
 | | Crystal structure of the human CB1 in complex with agonist AM841 | | Descriptor: | (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, CHOLESTEROL, Cannabinoid receptor 1,Flavodoxin,Cannabinoid receptor 1, ... | | Authors: | Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J. | | Deposit date: | 2017-06-07 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Crystal structures of agonist-bound human cannabinoid receptor CB1.
Nature, 547, 2017
|
|
5XER
 | | TK9 NMR structure in DPC micelle | | Descriptor: | THR-VAL-TYR-VAL-TYR-SER-ARG-VAL-LYS | | Authors: | Ghosh, A, Bhunia, A. | | Deposit date: | 2017-04-05 | | Release date: | 2018-04-18 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural insights of a self-assembling 9-residue peptide from the C-terminal tail of the SARS corona virus E-protein in DPC and SDS micelles: A combined high and low resolution spectroscopic study.
Biochim Biophys Acta Biomembr, 1860, 2018
|
|
4UT6
 | | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE2 B7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE2 B7, ... | | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
|
|
4UTA
 | | Crystal structure of dengue 2 virus envelope glycoprotein in complex with the Fab fragment of the broadly neutralizing human antibody EDE1 C8 | | Descriptor: | BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 HEAVY CHAIN, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C8 LIGHT CHAIN, ENVELOPE GLYCOPROTEIN E, ... | | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
|
|
5ITZ
 | |
4UT9
 | | Crystal structure of dengue 2 virus envelope glycoprotein dimer in complex with the ScFv fragment of the broadly neutralizing human antibody EDE1 C10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BROADLY NEUTRALIZING HUMAN ANTIBODY EDE1 C10, ENVELOPE GLYCOPROTEIN E | | Authors: | Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
|
|
8COY
 | | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) in complex with inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.507 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
8CP0
 | | Structure of the catalytic domain of P. vivax Sub1 (trigonal crystal form) | | Descriptor: | CALCIUM ION, subtilisin | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.251 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
8COZ
 | | Structure of the catalytic domain of P. vivax Sub1 (triclinic crystal form) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, SULFATE ION, ... | | Authors: | Martinez, M, Bouillon, A, Batista, F, Alzari, P.M, Barale, J.C, Haouz, A. | | Deposit date: | 2023-03-01 | | Release date: | 2023-07-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.438 Å) | | Cite: | 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Acta Crystallogr D Struct Biol, 79, 2023
|
|
4V1L
 | | High resolution structure of a novel carbohydrate binding module from glycoside hydrolase family 9 (Cel9A) from Ruminococcus flavefaciens FD-1 | | Descriptor: | CARBOHYDRATE BINDING MODULE, GLYCEROL, HEXAETHYLENE GLYCOL, ... | | Authors: | Venditto, I, Goyal, A, Thompson, A, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S. | | Deposit date: | 2014-09-29 | | Release date: | 2016-01-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
4UX6
 | | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | | Deposit date: | 2014-08-19 | | Release date: | 2014-10-08 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos).
Bioorg.Med.Chem.Lett., 21, 2011
|
|
4UTC
 | | Crystal structure of dengue 2 virus envelope glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ENVELOPE GLYCOPROTEIN E, ... | | Authors: | Kikuti, C, Rouvinski, A, Guardado-Calvo, P, Barba-Spaeth, G, Duquerroy, S, Vaney, M.C, Rey, F.A. | | Deposit date: | 2014-07-18 | | Release date: | 2015-01-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Recognition Determinants of Broadly Neutralizing Human Antibodies Against Dengue Viruses.
Nature, 520, 2015
|
|
5JGP
 | | Crystal structure of the nitrate/nitrite sensor NarQ fragment bound with iodide ions | | Descriptor: | IODIDE ION, NITRATE ION, Nitrate/nitrite sensor protein NarQ | | Authors: | Melnikov, I, Polovinkin, V, Popov, A, Gordeliy, V. | | Deposit date: | 2016-04-20 | | Release date: | 2017-05-31 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fast iodide-SAD phasing for high-throughput membrane protein structure determination.
Sci Adv, 3, 2017
|
|
5JKI
 | | Crystal structure of the first transmembrane PAP2 type phosphatidylglycerolphosphate phosphatase from Bacillus subtilis | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Putative lipid phosphate phosphatase YodM, TUNGSTATE(VI)ION, ... | | Authors: | El Ghachi, M, Howe, N, Lampion, A, Delbrassine, F, Vogeley, L, Caffrey, M, Sauvage, E, Auger, R, Guiseppe, A, Roure, S, Perlier, S, Mengin-lecreulx, D, Foglino, M, Touze, T. | | Deposit date: | 2016-04-26 | | Release date: | 2017-02-22 | | Last modified: | 2017-05-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure and biochemical characterization of the transmembrane PAP2 type phosphatidylglycerol phosphate phosphatase from Bacillus subtilis.
Cell. Mol. Life Sci., 74, 2017
|
|
7OGJ
 | |
4DFJ
 | | Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(aminopentinyl)-dTTP | | Descriptor: | 1,2-ETHANEDIOL, 5'-d(AAAAGGCGCCGTGGTC)-3', 5'-d(GACCACGGCGC DOC)-3', ... | | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-01-23 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
|
|
4DFK
 | | large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with 5-(N-(10-hydroxydecanoyl)-aminopentinyl)-2-dUTP | | Descriptor: | 1,2-ETHANEDIOL, 2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate), 5'-d(AAAAGGCGCCGTGGTC)-3', ... | | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-01-24 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.647 Å) | | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
|
|
1H56
 | | Structural and biochemical characterization of a new magnesium ion binding site near Tyr94 in the restriction endonuclease PvuII | | Descriptor: | MAGNESIUM ION, TYPE II RESTRICTION ENZYME PVUII | | Authors: | Spyrida, A, Matzen, C, Lanio, T, Jeltsch, A, Simoncsits, A, Athanasiadis, A, Scheuring-Vanamee, E, Kokkinidis, M, Pingoud, A. | | Deposit date: | 2001-05-20 | | Release date: | 2003-08-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Biochemical Characterization of a New Mg(2+) Binding Site Near Tyr94 in the Restriction Endonuclease PvuII.
J.Mol.Biol., 331, 2003
|
|
4WBQ
 | | Crystal structure of the exonuclease domain of QIP (QDE-2 interacting protein) solved by native-SAD phasing. | | Descriptor: | CALCIUM ION, QDE-2-interacting protein | | Authors: | Boland, A, Weinert, T, Weichenrieder, O, Wang, M. | | Deposit date: | 2014-09-03 | | Release date: | 2014-12-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
|
|
7O33
 | | Crystal structure of the anti-PAS Fab 3.1 in complex with its epitope peptide | | Descriptor: | APSA epitope peptide, anti-PAS Fab 3.1 chimeric heavy chain, anti-PAS Fab 3.1 chimeric light chain | | Authors: | Schilz, J, Skerra, A. | | Deposit date: | 2021-04-01 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Molecular recognition of structurally disordered Pro/Ala-rich sequences (PAS) by antibodies involves an Ala residue at the hot spot of the epitope.
J.Mol.Biol., 433, 2021
|
|
1QFD
 | | NMR SOLUTION STRUCTURE OF ALPHA-AMYLASE INHIBITOR (AAI) | | Descriptor: | PROTEIN (ALPHA-AMYLASE INHIBITOR) | | Authors: | Lu, S, Deng, P, Liu, X, Luo, J, Han, R, Gu, X, Liang, S, Wang, X, Feng, L, Lozanov, V, Patthy, A, Pongor, S. | | Deposit date: | 1999-04-08 | | Release date: | 1999-07-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the major alpha-amylase inhibitor of the crop plant amaranth.
J.Biol.Chem., 274, 1999
|
|
4DF8
 | | Crystal structure of the large fragment of DNA Polymerase I from Thermus aquaticus in a closed ternary complex with aminopentinyl-7-deaza-2-dATP | | Descriptor: | 1,2-ETHANEDIOL, 5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CHLORIDE ION, ... | | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | | Deposit date: | 2012-01-23 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates.
J.Am.Chem.Soc., 134, 2012
|
|
8HE6
 | | Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution | | Descriptor: | All3014 protein, CALCIUM ION, MAGNESIUM ION | | Authors: | Chatterjee, A, Singh, P.K, Singh, T.P, Marina, A, Sharma, S, Rai, L.C. | | Deposit date: | 2022-11-07 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a fosfomycin and bleomycin resistant protein (ALL3014) from Anabaena/Nostoc cyanobacterium at 1.70 A resolution
To Be Published
|
|
8GZ6
 | | Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nanobody P17 | | Authors: | Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T. | | Deposit date: | 2022-09-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant.
J.Biochem., 173, 2023
|
|
