6YJD
| Lamin A coil2 dimer stabilized by N-terminal capping | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Capsid assembly scaffolding protein,Prelamin-A/C, ... | Authors: | Lilina, A.V, Stalmans, G, Strelkov, S.V. | Deposit date: | 2020-04-03 | Release date: | 2021-02-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Addressing the Molecular Mechanism of Longitudinal Lamin Assembly Using Chimeric Fusions. Cells, 9, 2020
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7SSP
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5MY5
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7QT9
| Room temperature In-situ SARS-CoV-2 MPRO with bound Z4439011584 | Descriptor: | DIMETHYL SULFOXIDE, N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide, Non-structural protein 6 | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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7SML
| Crystal Structure of L-GALACTONO-1,4-LACTONE DEHYDROGENASE de Myrciaria dubia | Descriptor: | L-GALACTONO-1,4-LACTONE DEHYDROGENASE | Authors: | Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C. | Deposit date: | 2021-10-26 | Release date: | 2022-11-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu. J.Exp.Bot., 2024
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5M5I
| Pseudo-atomic model of microtubule-bound S.pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus conformation allows formation of a cover neck bundle. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | Authors: | Goulet, A, Moores, C.A, Cross, R.A. | Deposit date: | 2016-10-21 | Release date: | 2016-11-30 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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7OGZ
| Plant peptide hormone receptor complex H1L3S1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Peptide hormone IDL3, ... | Authors: | Roman, A.O, Jimenez-Sandoval, P, Santiago, J. | Deposit date: | 2021-05-07 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides. Nat Commun, 13, 2022
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8PTR
| COMPLEX CRYSTAL STRUCTURE OF MUTANT HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND 5r | Descriptor: | (3~{R},4~{S})-4-(1,3-benzodioxol-5-yl)-1-[1-(benzotriazol-1-ylcarbonyl)piperidin-4-yl]-3-(3-fluorophenyl)azetidin-2-one, 1,2-ETHANEDIOL, Monoglyceride lipase | Authors: | Butini, S, Benz, J, Grether, U, Leibrock, L, Papa, A, Maramai, S, Carullo, G, Federico, S, Grillo, A, Di Guglielmo, B, Lamponi, S, Gemma, S, Campiani, G. | Deposit date: | 2023-07-14 | Release date: | 2024-01-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Development of Potent and Selective Monoacylglycerol Lipase Inhibitors. SARs, Structural Analysis, and Biological Characterization. J.Med.Chem., 67, 2024
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6MW0
| Mle-Phe-Mle-D-Phe. Linear tetrapeptide related to pseudoxylallemycin A. | Descriptor: | METHANOL, Mle-Phe-Mle-D-Phe Linear tetrapeptide related to pseudoxylallemycin A | Authors: | Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. | Deposit date: | 2018-10-29 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (0.78 Å) | Cite: | Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
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7SSS
| Structure of the NADH-bound human COQ7:COQ9 complex by single-particle electron cryo-microscopy | Descriptor: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL]PHENOL, 5-demethoxyubiquinone hydroxylase, ... | Authors: | Aydin, H, Frost, A. | Deposit date: | 2021-11-11 | Release date: | 2022-11-02 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure and functionality of a multimeric human COQ7:COQ9 complex. Mol.Cell, 82, 2022
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5MKK
| Crystal structure of the heterodimeric ABC transporter TmrAB, a homolog of the antigen translocation complex TAP | Descriptor: | Multidrug resistance ABC transporter ATP-binding and permease protein, SULFATE ION | Authors: | Noell, A, Thomas, C, Tomasiak, T.M, Olieric, V, Wang, M, Diederichs, K, Stroud, R.M, Pos, K.M, Tampe, R. | Deposit date: | 2016-12-05 | Release date: | 2017-01-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure and mechanistic basis of a functional homolog of the antigen transporter TAP. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6MTS
| Crystal structure of VRC43.03 Fab | Descriptor: | Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain | Authors: | Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D. | Deposit date: | 2018-10-21 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual. Immunity, 50, 2019
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7QT6
| Room temperature In-situ SARS-CoV-2 MPRO with bound Z1367324110 | Descriptor: | 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE | Authors: | Horrell, S, Gildae, R.J, Axford, D, Owen, C.D, Lukacik, P, Strain-Damerell, C, Owen, R.L, Walsh, M.A. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | xia2.multiplex: a multi-crystal data-analysis pipeline. Acta Crystallogr D Struct Biol, 78, 2022
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5M7P
| Crystal structure of NtrX from Brucella abortus in complex with ADP processed with the CrystalDirect automated mounting and cryo-cooling technology | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nitrogen assimilation regulatory protein | Authors: | Cornaciu, I, Fernandez, I, Hoffmann, G, Carrica, M.C, Goldbaum, F.A, Marquez, J.A. | Deposit date: | 2016-10-28 | Release date: | 2017-01-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Three-Dimensional Structure of Full-Length NtrX, an Unusual Member of the NtrC Family of Response Regulators. J. Mol. Biol., 429, 2017
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7STS
| Crystal Structure of Human Fab S24-1379 in the Complex with the N-teminal Domain of Nucleocapsid Protein from SARS CoV-2 | Descriptor: | Fab S24-1379, heavy chain, light chain, ... | Authors: | Kim, Y, Maltseva, N, Tesar, C, Jedrzejczak, R, Dugan, H, Stamper, C, Wilson, P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-11-15 | Release date: | 2022-08-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Epitopes recognition of SARS-CoV-2 nucleocapsid RNA binding domain by human monoclonal antibodies. Iscience, 27, 2024
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8FDA
| Human Cytochrome P450 17A1 in complex with steroidal isonitrile inhibitor | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase, [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium | Authors: | Richard, A.M, Scott, E.E. | Deposit date: | 2022-12-02 | Release date: | 2023-08-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Selective steroidogenic cytochrome P450 haem iron ligation by steroid-derived isonitriles. Commun Chem, 6, 2023
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6Y2U
| Crystal structure of the cAMP-dependent protein kinase A cocrystallized with aminofasudil and PKI (5-24) | Descriptor: | 5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Oebbeke, M, Gerber, H.-D, Heine, A, Klebe, G. | Deposit date: | 2020-02-17 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Fragment based drug design - Small chemical changes of fragments effecting big changes in binding To Be Published
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6P9V
| Crystal Structure of hMAT Mutant K289L | Descriptor: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2019-06-10 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.051 Å) | Cite: | Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes. Acs Chem.Biol., 15, 2020
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7NTB
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5M5M
| Pseudo-atomic model of microtubule-bound S.pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations. | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | Authors: | Goulet, A, Moores, C.A, Cross, R.A. | Deposit date: | 2016-10-21 | Release date: | 2016-11-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (9.3 Å) | Cite: | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5MF2
| Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4 | Descriptor: | CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ... | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E. | Deposit date: | 2016-11-17 | Release date: | 2017-09-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence. Chem Sci, 8, 2017
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8PLZ
| Cryo-EM structure of CAK in complex with inhibitor CT7030 | Descriptor: | (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | Authors: | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | Deposit date: | 2023-06-27 | Release date: | 2024-03-20 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (1.9 Å) | Cite: | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
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7NWR
| Structure of BT1526, a myo-inositol-1-phosphate synthase | Descriptor: | Inositol-3-phosphate synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION | Authors: | Basle, A, Tang, G, Marles-Wright, J, Campopiano, D. | Deposit date: | 2021-03-17 | Release date: | 2022-03-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Characterization of inositol lipid metabolism in gut-associated Bacteroidetes. Nat Microbiol, 7, 2022
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7O2M
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2289 | Descriptor: | 1-[(3~{S},6~{S},9~{S},19~{R})-3,6-bis(4-azanylbutyl)-2,5,8,12,15,18-hexakis(oxidanylidene)-9-(phenylmethyl)-1,4,7,11,14,17-hexazacyclotricos-19-yl]guanidine, Genome polyprotein | Authors: | Huber, S, Heine, A, Steinmetzer, T. | Deposit date: | 2021-03-30 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors. J.Med.Chem., 65, 2022
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7NWY
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