6DHG
 
 | | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution | | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | Authors: | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | Deposit date: | 2018-05-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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2OZT
 | | Crystal structure of O-succinylbenzoate synthase from Thermosynechococcus elongatus BP-1 | | Descriptor: | PHOSPHATE ION, SODIUM ION, Tlr1174 protein | | Authors: | Malashkevich, V.N, Bonanno, J, Toro, R, Sauder, J.M, Schwinn, K.D, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Gheyi, T, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-02-27 | | Release date: | 2007-03-13 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5U3C
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5U6R
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5U03
 | | Cryo-EM structure of the human CTP synthase filament | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CTP synthase 1, URIDINE 5'-TRIPHOSPHATE | | Authors: | Lynch, E.M, Kollman, J.M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-04-26 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Human CTP synthase filament structure reveals the active enzyme conformation.
Nat. Struct. Mol. Biol., 24, 2017
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5U05
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6RRH
 | | GOLGI ALPHA-MANNOSIDASE II | | Descriptor: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION | | Authors: | Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2019-05-18 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
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5OK3
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp241 and Fasudil | | Descriptor: | 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, cAMP-dependent protein kinase catalytic subunit alpha | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-07-25 | | Release date: | 2018-08-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.588 Å) | | Cite: | Diamondoid Amino Acid-Based Peptide Kinase A Inhibitor Analogues.
Chemmedchem, 14, 2019
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5O1T
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6E3Y
 | | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor | | Descriptor: | Calcitonin gene-related peptide 1, Calcitonin gene-related peptide type 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liang, Y.L, Khoshouei, M, Deganutti, G, Glukhova, A, Koole, C, Peat, T.S, Radjainia, M, Plitzko, J.M, Baumeister, W, Miller, L.J, Hay, D.L, Christopoulos, A, Reynolds, C.A, Wootten, D, Sexton, P.M. | | Deposit date: | 2018-07-16 | | Release date: | 2018-09-19 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structure of the active, Gs-protein complexed, human CGRP receptor.
Nature, 561, 2018
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5OQ3
 | | High resolution structure of the functional region of Cwp19 from Clostridium difficile | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cwp19, ... | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
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5OQ2
 | | Se-SAD structure of the functional region of Cwp19 from Clostridium difficile | | Descriptor: | 1,2-ETHANEDIOL, Cwp19, PHOSPHATE ION | | Authors: | Bradshaw, W.J, Kirby, J.M, Roberts, A.K, Shone, C.C, Acharya, K.R. | | Deposit date: | 2017-08-10 | | Release date: | 2017-11-01 | | Last modified: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The molecular structure of the glycoside hydrolase domain of Cwp19 from Clostridium difficile.
FEBS J., 284, 2017
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6MEQ
 | | PcdhgB3 EC1-4 in 50 mM HEPES | | Descriptor: | CALCIUM ION, Protocadherin gamma-B3 | | Authors: | Nicoludis, J.M, Gaudet, R. | | Deposit date: | 2018-09-06 | | Release date: | 2019-09-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Interaction specificity of clustered protocadherins inferred from sequence covariation and structural analysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
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5OUW
 | | Metal free structure of SynFtn | | Descriptor: | Ferritin | | Authors: | Hemmings, A.M, Bradley, J.M. | | Deposit date: | 2017-08-25 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Reaction of O2with a diiron protein generates a mixed-valent Fe2+/Fe3+center and peroxide.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6E9R
 | | DHF46 filament | | Descriptor: | DHF46 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (5.9 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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5OQF
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6EAS
 | | Co-crystal of pseudokinase DRIK1 (drought responsive inactive kinase 1) bound to ENMD-2076 | | Descriptor: | 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(E)-2-phenylethenyl]pyrimidin-4-amine, GLYCEROL, drought responsive inactive kinase 1 | | Authors: | Aquino, B, Counago, R.M, Fala, A.M, Massirer, K.B, Elkins, J.M, Arruda, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-08-03 | | Release date: | 2018-08-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Co-crystal of pseudokinase DRIK1 with ENMD-2076
To be Published
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5OUC
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6M9U
 | | Structure of the apo-form of 20beta-Hydroxysteroid Dehydrogenase from Bifidobacterium adolescentis strain L2-32 | | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Mythen, S.M, Pollet, R.M, Koropatkin, N.M, Ridlon, J.M. | | Deposit date: | 2018-08-24 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and biochemical characterization of 20 beta-hydroxysteroid dehydrogenase fromBifidobacterium adolescentisstrain L2-32.
J.Biol.Chem., 294, 2019
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6E9Z
 | | DHF119 filament | | Descriptor: | DHF119 filament | | Authors: | Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D. | | Deposit date: | 2018-08-01 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | De novo design of self-assembling helical protein filaments.
Science, 362, 2018
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6EH0
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6MG0
 | | Crystal structure of a 5-domain construct of LgrA in the thiolation state | | Descriptor: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine, Linear gramicidin synthase subunit A | | Authors: | Reimer, J.M, Eivaskhani, M, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-09-12 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (6 Å) | | Cite: | Structures of a dimodular nonribosomal peptide synthetase reveal conformational flexibility.
Science, 366, 2019
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6EIM
 | | Human STK10 bound to GW683134A | | Descriptor: | 1,2-ETHANEDIOL, Serine/threonine-protein kinase 10, ~{N}-[5-[4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-1~{H}-benzimidazol-2-yl]furan-2-carboxamide | | Authors: | Sorrell, F.J, Berger, B.-T, Salah, E, von Delft, F, Bountra, C, Arrowsmith, C, Edwards, A.M, Knapp, S, Elkins, J.M. | | Deposit date: | 2017-09-19 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Human STK10 bound to GW683134
To Be Published
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5OWP
 | | Crystal structure of glycopeptide "GVTSAfPDT*RPAP" in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, ... | | Authors: | Bermejo, I.A, Albuquerque, I.S, Somovilla, V.J, Martinez-Saez, N, Castro-Lopez, J, Garcia-Martin, F, Hinou, H, Nishimura, S, Jimenez-Barbero, J, Asensio, J.L, Avenoza, A, Busto, J.H, Hurtado-Guerrero, R, Peregrina, J.M, Bernardes, G.J, Corzana, F. | | Deposit date: | 2017-09-02 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer.
J. Am. Chem. Soc., 139, 2017
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6ERW
 | | Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp013 and Fasudil | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE, UPF0418 protein FAM164A, ... | | Authors: | Mueller, J.M, Heine, A, Klebe, G. | | Deposit date: | 2017-10-19 | | Release date: | 2018-10-31 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage
Acs Omega, 2019
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