8CE9
 
 | | Crystal structure of human Cd11b I domain in C121 space group | | Descriptor: | 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION | | Authors: | Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K. | | Deposit date: | 2023-02-01 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of human Cd11b I domain in C121 space group
To Be Published
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8QWY
 | | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-((5-isopropoxy-2-methoxyphenyl)amino)pyrazin-2-yl)benzoic acid | | Descriptor: | 4-[6-[(2-methoxy-5-propan-2-yloxy-phenyl)amino]pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-20 | | Release date: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
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7PT4
 | | Actinobacterial 2-hydroxyacyl-CoA lyase (AcHACL) structure in complex with a covalently bound reaction intermediate as well as products formyl-CoA and acetone | | Descriptor: | 2-hydroxyacyl-CoA lyase, 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, ACETONE, ... | | Authors: | Zahn, M, Rohwerder, T. | | Deposit date: | 2021-09-25 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Mechanistic details of the actinobacterial lyase-catalyzed degradation reaction of 2-hydroxyisobutyryl-CoA.
J.Biol.Chem., 298, 2022
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9AYG
 | | Cryo-EM structure of apo state human Cav3.2 | | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2024-03-07 | | Release date: | 2024-04-24 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists.
Cell Res., 34, 2024
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6N5M
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6E1S
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | | Descriptor: | 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, RNA (33-MER) | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6E1T
 | | Crystal structure of a class I PreQ1 riboswitch complexed with a synthetic compound 1: 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine, MAGNESIUM ION, ... | | Authors: | Numata, T, Connelly, C.M, Schneekloth, J.S, Ferre-D'Amare, A.R. | | Deposit date: | 2018-07-10 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.
Nat Commun, 10, 2019
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6UFU
 | | C2 symmetric peptide design number 1, Zappy, crystal form 1 | | Descriptor: | C2-1, Zappy, crystal form 1 | | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | | Deposit date: | 2019-09-25 | | Release date: | 2020-12-02 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.101 Å) | | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry.
Protein Sci., 29, 2020
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7Q21
 | | III2-IV2 respiratory supercomplex from Corynebacterium glutamicum | | Descriptor: | (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ... | | Authors: | Kovalova, T, Moe, A, Krol, S, Yanofsky, D.J, Bott, M, Sjostrand, D, Rubinstein, J.L, Hogbom, M, Brzezinski, P. | | Deposit date: | 2021-10-22 | | Release date: | 2022-02-02 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | The respiratory supercomplex from C. glutamicum.
Structure, 30, 2022
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8FXT
 | | Escherichia coli periplasmic Glucose-Binding Protein glucose complex: Acrylodan conjugate attached at W183C | | Descriptor: | 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one, CALCIUM ION, D-galactose/methyl-galactoside binding periplasmic protein MglB, ... | | Authors: | Allert, M.J, Kumar, S, Wang, Y, Beese, L.S, Hellinga, H.W. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Chromophore carbonyl twisting in fluorescent biosensors encodes direct readout of protein conformations with multicolor switching.
Commun Chem, 6, 2023
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8ILB
 | | The complexes of RbcL, AtRaf1 and AtBSD2 (LFB) | | Descriptor: | Protein BUNDLE SHEATH DEFECTIVE 2, chloroplastic, Ribulose bisphosphate carboxylase large chain, ... | | Authors: | Wang, R, Song, H, Zhang, W, Wang, N, Zhang, S, Shao, R. | | Deposit date: | 2023-03-03 | | Release date: | 2023-11-01 | | Last modified: | 2023-12-20 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into the functions of Raf1 and Bsd2 in hexadecameric Rubisco assembly.
Mol Plant, 16, 2023
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8HXP
 | | Crystal structure of B1 VIM-2 MBL in complex with 2-amino-5-(but-3-en-1-yl)thiazole-4-carboxylic acid | | Descriptor: | 2-azanyl-5-but-3-enyl-1,3-thiazole-4-carboxylic acid, Beta-lactamase class B VIM-2, ZINC ION | | Authors: | Yan, Y.-H, Zhu, K.-R, Li, G.-B. | | Deposit date: | 2023-01-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
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7NQG
 | | The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate | | Descriptor: | 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ... | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-01 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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8ZN2
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.65 A resolution.
To Be Published
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8S0O
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.834 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8ZN3
 | | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution. | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHOSPHONOACETIC ACID, ... | | Authors: | Ahmad, N, Sharma, P, Bhushan, A, Sharma, S, Singh, T.P. | | Deposit date: | 2024-05-25 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure of Phosphopantetheine adenylyltransferase (PPAT) from Enterobacter sp. with the expression tag bound in the substrate binding site of a neighbouring molecule at 2.41 A resolution.
To Be Published
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8S0Q
 | | A fragment-based inhibitor of SHP2 | | Descriptor: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Cleasby, A, Price, A. | | Deposit date: | 2024-02-14 | | Release date: | 2024-03-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
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8WTZ
 | | potassium outward rectifier channel SKOR | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium channel SKOR | | Authors: | Gao, X, Sun, T, Lu, Y, Jia, Y, Xu, X, Zhang, Y, Fu, P, Yang, G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-04-10 | | Last modified: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural changes in the conversion of an Arabidopsis outward-rectifying K + channel into an inward-rectifying channel.
Plant Commun., 5, 2024
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8QUL
 | | Hexameric HIV-1 CA in complex with DDD00100555 | | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Application of an NMR/Crystallography Fragment Screening Platform for the Assessment and Rapid Discovery of New HIV-CA Binding Fragments.
Chemmedchem, 19, 2024
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9UDY
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4XA2
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6OUM
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8OTQ
 | | Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in GDN | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, PALMITIC ACID, Sperm-specific sodium proton exchanger | | Authors: | Yeo, H, Mehta, V, Gulati, A, Drew, D. | | Deposit date: | 2023-04-21 | | Release date: | 2023-11-01 | | Last modified: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
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8V4G
 | | X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP and NADP | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ... | | Authors: | Schumann, M.E, Thoden, J.B, Holden, H.M, Raushel, F.M. | | Deposit date: | 2023-11-29 | | Release date: | 2023-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 63, 2024
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6OUF
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