5M4V
 
 | | X-ray structure of the mambaquaretin-1, a selective antagonist of the vasopressin type 2 receptor | | Descriptor: | CHLORIDE ION, Mambaquaretin-1, S-1,2-PROPANEDIOL | | Authors: | Stura, E.A, Vera, L, Ciolek, J, Mourier, G, Gilles, N. | | Deposit date: | 2016-10-19 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | Green mamba peptide targets type-2 vasopressin receptor against polycystic kidney disease.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8E7E
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8E7J
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5LQ2
 | | Crystal structure of Tyr24 phosphorylated Annexin A2 at 3.4 A resolution | | Descriptor: | Annexin A2, CALCIUM ION | | Authors: | Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. | | Deposit date: | 2016-08-15 | | Release date: | 2017-07-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding.
Structure, 25, 2017
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1R5D
 | | X-ray structure of bovine seminal ribonuclease swapping dimer from a new crystal form | | Descriptor: | Ribonuclease, seminal | | Authors: | Merlino, A, Vitagliano, L, Sica, F, Zagari, A, Mazzarella, L. | | Deposit date: | 2003-10-10 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Population shift vs induced fit: The case of bovine seminal ribonuclease swapping dimer
Biopolymers, 73, 2004
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4Y0D
 | | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | | Descriptor: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | | Deposit date: | 2015-02-05 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
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5XP3
 | | Crystal structure of apo T2R-TTL | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, Y, Yang, J, Wang, T, Chen, L. | | Deposit date: | 2017-05-31 | | Release date: | 2017-10-25 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The compound millepachine and its derivatives inhibit tubulin polymerization by irreversibly binding to the colchicine-binding site in beta-tubulin.
J. Biol. Chem., 2018
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5TGL
 | | A MODEL FOR INTERFACIAL ACTIVATION IN LIPASES FROM THE STRUCTURE OF A FUNGAL LIPASE-INHIBITOR COMPLEX | | Descriptor: | LIPASE, N-HEXYLPHOSPHONATE ETHYL ESTER | | Authors: | Brzozowski, A.M, Derewenda, U, Derewenda, Z.S, Dodson, G.G, Lawson, D, Turkenburg, J.P, Bjorkling, F, Huge-Jensen, B, Patkar, S.R, Thim, L. | | Deposit date: | 1991-10-30 | | Release date: | 1994-01-31 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A model for interfacial activation in lipases from the structure of a fungal lipase-inhibitor complex.
Nature, 351, 1991
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4AC5
 | | Lipidic sponge phase crystal structure of the Bl. viridis reaction centre solved using serial femtosecond crystallography | | Descriptor: | 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ... | | Authors: | Johansson, L.C, Arnlund, D, White, T.A, Katona, G, DePonte, D.P, Weierstall, U, Doak, R.B, Shoeman, R.L, Lomb, L, Malmerberg, E, Davidsson, J, Nass, K, Liang, M, Andreasson, J, Aquila, A, Bajt, S, Barthelmess, M, Barty, A, Bogan, M.J, Bostedt, C, Bozek, J.D, Caleman, C, Coffee, R, Coppola, N, Ekeberg, T, Epp, S.W, Erk, B, Fleckenstein, H, Foucar, L, Graafsma, H, Gumprecht, L, Hajdu, J, Hampton, C.Y, Hartmann, R, Hartmann, A, Hauser, G, Hirsemann, H, Holl, P, Hunter, M.S, Kassemeyer, S, Kimmel, N, Kirian, R.A, Maia, F.R.N.C, Marchesini, S, Martin, A.V, Reich, C, Rolles, D, Rudek, B, Rudenko, A, Schlichting, I, Schulz, J, Seibert, M.M, Sierra, R, Soltau, H, Starodub, D, Stellato, F, Stern, S, Struder, L, Timneanu, N, Ullrich, J, Wahlgren, W.Y, Wang, X, Weidenspointner, G, Wunderer, C, Fromme, P, Chapman, H.N, Spence, J.C.H, Neutze, R. | | Deposit date: | 2011-12-14 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (8.2 Å) | | Cite: | Lipidic Phase Membrane Protein Serial Femtosecond Crystallography.
Nat.Methods, 9, 2012
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5M7M
 | | Novel Imidazo[1,2-a]pyridine Derivatives with Potent Autotaxin/ENPP2 Inhibitor Activity | | Descriptor: | CHLORIDE ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, IODIDE ION, ... | | Authors: | Wolhkoning, A, Fleury, D, Leonard, P, Triballeau, N, Mollat, P, Vercheval, L. | | Deposit date: | 2016-10-28 | | Release date: | 2017-08-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery, Structure-Activity Relationship, and Binding Mode of an Imidazo[1,2-a]pyridine Series of Autotaxin Inhibitors.
J. Med. Chem., 60, 2017
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8T9B
 | | Structure of the CK variant of Fab F1 (FabC-F1) in complex with the C-terminal FN3 domain of EphA2 | | Descriptor: | CK variant of Fab F1 heavy chain, CK variant of Fab F1 light chain, Ephrin type-A receptor 2 | | Authors: | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2023-06-23 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Engineered Antigen-binding Fragments for Enhanced Crystallization of Antibody:Antigen Complexes
To be Published
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2BL0
 | | Physarum polycephalum myosin II regulatory domain | | Descriptor: | CALCIUM ION, MAJOR PLASMODIAL MYOSIN HEAVY CHAIN, MYOSIN REGULATORY LIGHT CHAIN | | Authors: | Debreczeni, J.E, Farkas, L, Harmat, V, Nyitray, L. | | Deposit date: | 2005-02-23 | | Release date: | 2005-10-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Evidence for Non-Canonical Binding of Ca2+ to a Canonical EF-Hand of a Conventional Myosin.
J.Biol.Chem., 280, 2005
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4Y0H
 | | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | | Descriptor: | 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | | Deposit date: | 2015-02-06 | | Release date: | 2015-03-11 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115)
J. Am. Chem. Soc., 2015
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5GJU
 | | DEAD-box RNA helicase | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent RNA helicase DeaD | | Authors: | Xu, L, Li, F, Wang, L, Shi, Y. | | Deposit date: | 2016-07-02 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
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4XSK
 | | Structure of PAItrap, an uPA mutant | | Descriptor: | GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ... | | Authors: | Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M. | | Deposit date: | 2015-01-22 | | Release date: | 2016-02-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of PAItrap, an uPA mutant
To Be Published
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4BFR
 | | Discovery and Optimization of Pyrimidone Indoline Amide PI3Kbeta Inhibitors for the Treatment of Phosphatase and TENsin homologue (PTEN)-Deficient Cancers | | Descriptor: | 2-[2-(2-METHYL-2,3-DIHYDRO-INDOL-1-YL)-2-OXO-ETHYL]-6-MORPHOLIN-4-YL-3H-PYRIMIDIN-4-ONE, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC S SUBUNIT BETA ISOFORM | | Authors: | Certal, V, Carry, J.C, Halley, F, Virone-Oddos, A, Thompson, F, Filoche-Romme, B, El-Ahmad, Y, Karlsson, A, Charrier, V, Delorme, C, Rak, A, Abecassis, P.Y, Amara, C, Vincent, L, Bonnevaux, H, Nicolas, J.P, Mathieu, M, Bertrand, T, Marquette, J.P, Michot, N, Benard, T, Perrin, M.A, Perron, S, Monget, S, Gruss-Leleu, F, Doerflinger, G, Guizani, H, Brollo, M, Delbarre, L, Bertin, L, Richepin, P, Loyau, V, Garcia-Echeverria, C, Lengauer, C, Schio, L. | | Deposit date: | 2013-03-22 | | Release date: | 2014-01-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery and Optimization of Pyrimidone Indoline Amide Pi3Kbeta Inhibitors for the Treatment of Phosphatase and Tensin Homologue (Pten)-Deficient Cancers.
J.Med.Chem., 57, 2014
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5MSZ
 | | Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | | Deposit date: | 2017-01-06 | | Release date: | 2018-02-28 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.
Nat Commun, 9, 2018
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8F73
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8FD5
 | | Nucleocapsid monomer structure from SARS-CoV-2 | | Descriptor: | Nucleoprotein | | Authors: | Casasanta, M, Jonaid, G.M, Kaylor, L, Luqiu, W, DiCecco, L, Solares, M, Berry, S, Kelly, D.F. | | Deposit date: | 2022-12-02 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (4.57 Å) | | Cite: | Structural Insights of the SARS-CoV-2 Nucleocapsid Protein: Implications for the Inner-workings of Rapid Antigen Tests.
Microsc Microanal, 29, 2023
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5CVW
 | | CRYSTAL STRUCTURE OF RTX DOMAIN BLOCK V OF ADENYLATE CYCLASE TOXIN FROM BORDETELLA PERTUSSIS | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional hemolysin/adenylate cyclase, CALCIUM ION, ... | | Authors: | Motlova, L, Barinka, C, Bumba, L. | | Deposit date: | 2015-07-27 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Calcium-Driven Folding of RTX Domain beta-Rolls Ratchets Translocation of RTX Proteins through Type I Secretion Ducts.
Mol.Cell, 62, 2016
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4YTF
 | | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | | Descriptor: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | | Authors: | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | | Deposit date: | 2015-03-17 | | Release date: | 2015-08-12 | | Last modified: | 2015-10-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
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8FGZ
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8FH2
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8FGY
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8FH1
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