8R8K
 
 | | XBB-4 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | | Descriptor: | Spike glycoprotein,Fibritin, XBB-4 Fab Heavy chain, XBB-4 Fab Light chain | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
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7NNZ
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with 5-methyl-4-phenylthiazol-2-amine. | | Descriptor: | 5-methyl-4-phenyl-1,3-thiazol-2-amine, Ornithine carbamoyltransferase, PHOSPHATE ION | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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4Y8H
 | | Yeast 20S proteasome in complex with N3-APAL-ep | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2015-02-16 | | Release date: | 2015-06-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors.
J.Am.Chem.Soc., 137, 2015
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8OW6
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7NP0
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-nitrophenyl)boronic acid. | | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, p-nitrophenylboronic acid | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-26 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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7NNV
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with carbamoyl phosphate. | | Descriptor: | 1,2-ETHANEDIOL, Ornithine carbamoyltransferase, PHOSPHATE ION, ... | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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5M30
 | | Structure of TssK from T6SS EAEC in complex with nanobody nb18 | | Descriptor: | Anti-vesicular stomatitis virus N VHH, Type VI secretion protein | | Authors: | Nguyen, V.S, Cambillau, C, Spinelli, C, Desmyter, A, Legrand, P, Cascales, E. | | Deposit date: | 2016-10-13 | | Release date: | 2017-06-21 | | Last modified: | 2017-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Type VI secretion TssK baseplate protein exhibits structural similarity with phage receptor-binding proteins and evolved to bind the membrane complex.
Nat Microbiol, 2, 2017
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7NNW
 | | Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate. | | Descriptor: | Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate | | Authors: | Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L. | | Deposit date: | 2021-02-25 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
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6HKW
 | | Crystal structure of human SDS22 | | Descriptor: | Protein phosphatase 1 regulatory subunit 7, SULFATE ION | | Authors: | Heroes, E, Choy, M.S, Page, R, Peti, W, Ulens, C, Van Meervelt, L, Nys, M, Bollen, M. | | Deposit date: | 2018-09-09 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | Structure-Guided Exploration of SDS22 Interactions with Protein Phosphatase PP1 and the Splicing Factor BCLAF1.
Structure, 27, 2019
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8OYS
 | | De novo designed TIM barrel fold TBF_24 | | Descriptor: | CHLORIDE ION, De novo designed TIM-barrel | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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7E1I
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8P1H
 | | Crystal structure of the chimera of human 14-3-3 zeta and phosphorylated cytoplasmic loop fragment of the alpha7 acetylcholine receptor | | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, BENZOIC ACID, ... | | Authors: | Boyko, K.M, Kapitonova, A.A, Tugaeva, K.V, Varfolomeeva, L.A, Lyukmanova, E.N, Sluchanko, N.N. | | Deposit date: | 2023-05-12 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure reveals canonical recognition of the phosphorylated cytoplasmic loop of human alpha7 nicotinic acetylcholine receptor by 14-3-3 protein.
Biochem.Biophys.Res.Commun., 682, 2023
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5NOL
 | | Ca2+-induced Movement of Tropomyosin on Native Cardiac Thin Filaments - "Closed" state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Cardiac muscle alpha actin 1, MAGNESIUM ION, ... | | Authors: | Risi, C, Eisner, J, Belknap, B, Heeley, D.H, White, H.D, Schroeder, G.F, Galkin, V.E. | | Deposit date: | 2017-04-12 | | Release date: | 2017-07-19 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Ca(2+)-induced movement of tropomyosin on native cardiac thin filaments revealed by cryoelectron microscopy.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8OYV
 | | De novo designed Claudin fold CLF_4 | | Descriptor: | De novo designed soluble Claudin | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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8OYW
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6QG9
 | | Crystal structure of Ideonella sakaiensis MHETase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Palm, G.J, Reisky, L, Boettcher, D, Mueller, H, Michels, E.A.P, Walczak, C, Berndt, L, Weiss, M.S, Bornscheuer, U.T, Weber, G. | | Deposit date: | 2019-01-10 | | Release date: | 2019-04-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structure of the plastic-degrading Ideonella sakaiensis MHETase bound to a substrate.
Nat Commun, 10, 2019
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1PYP
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8P4X
 | | FAD_ox bound dark state structure of PdLCry | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, Putative light-receptive cryptochrome (Fragment) | | Authors: | Behrmann, E, Behrmann, H. | | Deposit date: | 2023-05-23 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.57 Å) | | Cite: | A marine cryptochrome with an inverse photo-oligomerization mechanism.
Nat Commun, 14, 2023
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6S2Y
 | | Water-soluble Chlorophyll Protein (WSCP) from Lepidium virginicum with Chlorophyll-b | | Descriptor: | CHLOROPHYLL B, Water-soluble chlorophyll protein | | Authors: | Agostini, A, Meneghin, E, Gewehr, L, Pedron, D, Palm, D.M, Carbonera, D, Paulsen, H, Jaenicke, E, Collini, E. | | Deposit date: | 2019-06-23 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | How water-mediated hydrogen bonds affect chlorophyll a/b selectivity in Water-Soluble Chlorophyll Protein.
Sci Rep, 9, 2019
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8W0V
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8W0W
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6I3Z
 | | Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin in complex with its antigen | | Descriptor: | Alpha-1-antitrypsin, Fab 2H2 heavy chain, Fab 2H2 light chain, ... | | Authors: | Laffranchi, M, Elliston, E.L.K, Miranda, E, Perez, J, Jagger, A.M, Fra, A, Lomas, D.A, Irving, J.A. | | Deposit date: | 2018-11-08 | | Release date: | 2019-11-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Intrahepatic heteropolymerization of M and Z alpha-1-antitrypsin.
JCI Insight, 5, 2020
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8Q0E
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8SVK
 | | Crystal structure of Bax D71N core domain BH3-groove dimer | | Descriptor: | Apoptosis regulator BAX, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Miller, M.S, Czabotar, P.E, Colman, P.M. | | Deposit date: | 2023-05-16 | | Release date: | 2023-12-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Sequence differences between BAX and BAK core domains manifest as differences in their interactions with lipids.
Febs J., 291, 2024
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6BFA
 | | Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1553 | | Descriptor: | 1-{4-amino-3-[6-(cyclopropyloxy)naphthalen-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-2-methylpropan-2-ol, Calmodulin-domain protein kinase 1 | | Authors: | Merritt, E.A. | | Deposit date: | 2017-10-26 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of an Orally Available and Central Nervous System (CNS) Penetrant Toxoplasma gondii Calcium-Dependent Protein Kinase 1 (TgCDPK1) Inhibitor with Minimal Human Ether-a-go-go-Related Gene (hERG) Activity for the Treatment of Toxoplasmosis.
J. Med. Chem., 59, 2016
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