8OL7
 
 | | MurineArc type I Abeta fibril from tg-APPArcSwe mouse | | Descriptor: | Amyloid-beta protein 42 | | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | Deposit date: | 2023-03-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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8P35
 | | Mutant human titin immunoglobulin-like 21 domain - C3575S | | Descriptor: | Titin | | Authors: | Martinez-Martin, I, Crousilles, A, Mortensen, S.A, Alegre-Cebollada, J, Wilmanns, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Titin domains with reduced core hydrophobicity cause dilated cardiomyopathy.
Cell Rep, 42, 2023
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8CA3
 | | Cryo-EM structure NDUFS4 knockout complex I from Mus musculus heart (Class 2). | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Yin, Z, Bridges, H.R, Agip, A.N.A, Hirst, J. | | Deposit date: | 2023-01-24 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into respiratory complex I deficiency and assembly from the mitochondrial disease-related ndufs4 -/- mouse.
Embo J., 43, 2024
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5QK2
 | | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z54628578 | | Descriptor: | 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ... | | Authors: | Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F. | | Deposit date: | 2018-10-31 | | Release date: | 2018-12-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
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6CZD
 | | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with adenosine diphosphate | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent dethiobiotin synthetase BioD, MAGNESIUM ION | | Authors: | Thompson, A.P, Wegener, K.L, Bruning, J.B, Polyak, S.W. | | Deposit date: | 2018-04-09 | | Release date: | 2018-10-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Precipitant-ligand exchange technique reveals the ADP binding mode in Mycobacterium tuberculosis dethiobiotin synthetase.
Acta Crystallogr D Struct Biol, 74, 2018
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7A5A
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5LZ0
 | | Llama nanobody PorM_01 | | Descriptor: | PorM nanobody | | Authors: | Duhoo, Y, Leone, P, Roussel, A. | | Deposit date: | 2016-09-29 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Camelid nanobodies used as crystallization chaperones for different constructs of PorM, a component of the type IX secretion system from Porphyromonas gingivalis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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8OLO
 | | Murine type III Abeta fibril from ARTE10 mouse | | Descriptor: | Amyloid-beta protein 42 | | Authors: | Zielinski, M, Peralta Reyes, F.S, Gremer, L, Schemmert, S, Frieg, B, Willuweit, A, Donner, L, Elvers, M, Nilsson, L.N.G, Syvanen, S, Sehlin, D, Ingelsson, M, Willbold, D, Schroeder, G.F. | | Deposit date: | 2023-03-30 | | Release date: | 2023-11-29 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM of A beta fibrils from mouse models find tg-APP ArcSwe fibrils resemble those found in patients with sporadic Alzheimer's disease.
Nat.Neurosci., 26, 2023
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6MHC
 | | Glutathione S-Transferase Omega 1 bound to covalent inhibitor 37 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Petrunak, E.M, Stuckey, J.A. | | Deposit date: | 2018-09-17 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.
J. Med. Chem., 62, 2019
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5DEH
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS N100D at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Bell-Upp, P.C, Siegler, M.A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS N100D at cryogenic temperature
To be Published
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5YCJ
 | | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) imidazole-ligand | | Descriptor: | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
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6Y4X
 | | Crystal structure of p38 in complex with SR72 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-02-23 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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3T7X
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3MAH
 | | A putative c-terminal regulatory domain of aspartate kinase from porphyromonas gingivalis w83. | | Descriptor: | Aspartokinase, SULFATE ION | | Authors: | Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Moy, S, Joachimiak, A, Anderson, F.W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2010-03-23 | | Release date: | 2010-04-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | A Putative C-Terminal Regulatory Domain of Aspartate Kinase from Porphyromonas Gingivalis W83.
To be Published
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4PPD
 | | PduA K26A, crystal form 2 | | Descriptor: | GLYCEROL, Propanediol utilization protein PduA, SULFATE ION | | Authors: | McNamara, D.E, Sawaya, M.R, Bobik, T.A, Yeates, T.O. | | Deposit date: | 2014-02-26 | | Release date: | 2014-05-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Alanine scanning mutagenesis identifies an asparagine-arginine-lysine triad essential to assembly of the shell of the pdu microcompartment.
J.Mol.Biol., 426, 2014
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8BE3
 | | Crystal structure of KRasG12V-Nanobody84 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | | Authors: | Fischer, B, Wohlkonig, A, Steyaert, J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-11-01 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Allosteric nanobodies to study the interactions between SOS1 and RAS.
Nat Commun, 15, 2024
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5EKK
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D/L125E at cryogenic temperature | | Descriptor: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | Authors: | Skerritt, L.A, Bell-Upp, P.C, Siegler, M.A, Schlessman, J.L, Garcia-Moreno E, B. | | Deposit date: | 2015-11-03 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of Staphylococcal nuclease variant Delta+PHS V39D/L125E at cryogenic temperature
To be Published
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6CRV
 | | SARS Spike Glycoprotein, Stabilized variant, C3 symmetry | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ... | | Authors: | Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B. | | Deposit date: | 2018-03-19 | | Release date: | 2018-04-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
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5QQ9
 | | PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000567a | | Descriptor: | 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide, ACETATE ION, Farnesyl diphosphate synthase, ... | | Authors: | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | | Deposit date: | 2019-03-12 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library
To Be Published
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5M15
 | | Synthetic nanobody in complex with MBP | | Descriptor: | Maltose-binding periplasmic protein, Synthetic nanobody L2_D09, (a-MBP#3) | | Authors: | Zimmermann, I, Egloff, P, Seeger, M.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-11-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Synthetic single domain antibodies for the conformational trapping of membrane proteins.
Elife, 7, 2018
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7B9F
 | | Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex | | Descriptor: | EccB5, EccC5, EccD5, ... | | Authors: | Chojnowski, G, Ritter, C, Beckham, K.S.H, Mullapudi, E, Rettel, M, Savitski, M.M, Mortensen, S.A, Ziemianowicz, D, Kosinski, J, Wilmanns, M. | | Deposit date: | 2020-12-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the mycobacterial ESX-5 type VII secretion system pore complex.
Sci Adv, 7, 2021
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5E2B
 | | Crystal structure of NTMT1 in complex with N-terminally methylated PPKRIA peptide | | Descriptor: | GLYCEROL, N-terminal Xaa-Pro-Lys N-methyltransferase 1, RCC1, ... | | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-09-30 | | Release date: | 2015-10-28 | | Last modified: | 2015-12-02 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural basis for substrate recognition by the human N-terminal methyltransferase 1.
Genes Dev., 29, 2015
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8C42
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7BK5
 | | PfCopC mutant - E27A | | Descriptor: | CHLORIDE ION, COPPER (II) ION, PHOSPHATE ION, ... | | Authors: | Muderspach, S.J, Ipsen, J, Rollan, C.H, Bertelsen, A.B, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2021-01-15 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Copper binding and reactivity at the histidine brace motif: insights from mutational analysis of the Pseudomonas fluorescens copper chaperone CopC.
Febs Lett., 595, 2021
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6GOT
 | | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide | | Descriptor: | 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | | Deposit date: | 2018-06-04 | | Release date: | 2018-10-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism.
Bioorg. Chem., 81, 2018
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