8PZ5
 
 | | Structure of ThcOx, solved at wavelength 3.099 A | | Descriptor: | FLAVIN MONONUCLEOTIDE, SagB-type dehydrogenase domain protein | | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Wagner, A. | | Deposit date: | 2023-07-27 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8PX1
 | | Structure of salmonella effector SseK3, solved at wavelength 2.75 A | | Descriptor: | Non-LEE encoded effector protein NleB | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C.M, Esposito, D, Rittinger, K, Wagner, A. | | Deposit date: | 2023-07-22 | | Release date: | 2023-10-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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6UXP
 | | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), Bcl-2 homologous antagonist/killer, GLYCEROL | | Authors: | Cowan, A.D, Colman, P.M, Czabotar, P.E. | | Deposit date: | 2019-11-07 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
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8C3O
 | | Crystal structure of autotaxin gamma and compound MEY-003 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ... | | Authors: | Eymery, M.C, McCarthy, A.A. | | Deposit date: | 2022-12-27 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
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8PX7
 | | Structure of Bacterial Multidrug Efflux transporter AcrB, solved at wavelength 3.02 A | | Descriptor: | Multidrug efflux pump subunit AcrB | | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | | Deposit date: | 2023-07-22 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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7TBD
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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8CC4
 | | LasB bound to phosphonic acid based inhibitor | | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | | Authors: | Mueller, R, Sikandar, A. | | Deposit date: | 2023-01-26 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Acs Cent.Sci., 9, 2023
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8PYZ
 | | Structure of Ompk36GD from Klebsiella pneumonia, solved at wavelength 4.13 A | | Descriptor: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, LAURYL DIMETHYLAMINE-N-OXIDE, OmpK36 | | Authors: | Duman, R, El Omari, K, Mykhaylyk, V, Orr, C, Kwong, H, Beis, K, Wagner, A. | | Deposit date: | 2023-07-26 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths.
Commun Chem, 6, 2023
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8POU
 | | Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the air-oxidized state at 1.65 A Resolution. | | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, ... | | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | | Deposit date: | 2023-07-05 | | Release date: | 2023-11-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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6PE7
 | | Crystal Structure of ABBV-323 FAB | | Descriptor: | FAB Heavy Chain, FAB Light chain, SULFATE ION | | Authors: | Argiriadi, M.A. | | Deposit date: | 2019-06-20 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
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6Y9R
 | | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | | Descriptor: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | | Authors: | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | | Deposit date: | 2020-03-10 | | Release date: | 2020-05-20 | | Last modified: | 2020-07-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches.
Molecules, 25, 2020
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8C4D
 | | N-acetylmuramoyl-L-alanine amidase from Enterococcus faecium prophage genome | | Descriptor: | CHLORIDE ION, CITRATE ANION, N-acetylmuramoyl-L-alanine amidase, ... | | Authors: | Papageorgiou, A.C, Premetis, G.E, Labrou, N.E. | | Deposit date: | 2023-01-03 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural and functional features of a broad-spectrum prophage-encoded enzybiotic from Enterococcus faecium.
Sci Rep, 13, 2023
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5MAZ
 | | STRUCTURE OF THE LECB LECTIN FROM PSEUDOMONAS AERUGINOSA STRAIN PA14 IN COMPLEX WITH 3-Thiophenesulfonamide-2,5-dimethyl-N-methyl-beta-L-fucopyranoside | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Fucose-binding lectin PA-IIL, ... | | Authors: | Sommer, R, Imberty, A, Titz, A, Varrot, A. | | Deposit date: | 2016-11-07 | | Release date: | 2017-12-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of a new class of C-glycoside based inhibitors of the virulence factor LecB from Pseudomonas aeruginosa
To Be Published
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7PHO
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde | | Descriptor: | BICARBONATE ION, D-MALATE, GLYCEROL, ... | | Authors: | Nunes-Costa, D, Silva, A, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | Deposit date: | 2021-08-17 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 7.1 in complex with 4-hydroxybenzaldehyde
To Be Published
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4XRI
 | | Crystal Structure of Importin Beta in an Ammonium Sulfate Condition | | Descriptor: | GLYCEROL, Putative uncharacterized protein, SULFATE ION | | Authors: | Tauchert, M.J, Neumann, P, Ficner, R, Dickmanns, A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Impact of the crystallization condition on importin-beta conformation.
Acta Crystallogr D Struct Biol, 72, 2016
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7NR2
 | | The structure of the SBP TarP_Sse in complex with coumarate | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ... | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-02 | | Release date: | 2021-10-06 | | Last modified: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.13 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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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: | 2022-01-26 | | 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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8POV
 | | Crystal Structure of the C19G/C120G variant of the membrane-bound [NiFe]-Hydrogenase from Cupriavidus necator in the H2-reduced state at 1.92 A Resolution. | | Descriptor: | FE3-S4 CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ... | | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | | Deposit date: | 2023-07-05 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Stepwise conversion of the Cys 6 [4Fe-3S] to a Cys 4 [4Fe-4S] cluster and its impact on the oxygen tolerance of [NiFe]-hydrogenase.
Chem Sci, 14, 2023
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7NRA
 | | The structure of the SBP TarP_Sse in complex with cinnamate | | Descriptor: | HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-03 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.91 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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6P54
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6UZS
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5MFU
 | | PA3825-EAL Mn-pGpG Structure | | Descriptor: | Diguanylate phosphodiesterase, GUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, ... | | Authors: | Horrell, S, Bellini, D, Strange, R, Wagner, A, Walsh, M. | | Deposit date: | 2016-11-18 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Dimerisation induced formation of the active site and the identification of three metal sites in EAL-phosphodiesterases.
Sci Rep, 7, 2017
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8TRV
 | | Structure of the EphA2 LBDCRD bound to FabS1C_C1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Ephrin type-A receptor 2, ... | | Authors: | Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2023-08-10 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Synthetic Antibodies targeting EPHA2 Induce Diverse Signaling-Competent Clusters with Differential Activation
To be Published
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7PVL
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5MG2
 | | Crystal structure of the second bromodomain of human TAF1 in complex with BAY-299 chemical probe | | Descriptor: | 1,2-ETHANEDIOL, 6-(3-oxidanylpropyl)-2-(1,3,6-trimethyl-2-oxidanylidene-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione, Transcription initiation factor TFIID subunit 1 | | Authors: | Tallant, C, Bouche, L, Holton, S.J, Fedorov, O, Siejka, P, Picaud, S, Krojer, T, Srikannathasan, V, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hartung, I.V, Haendler, B, Muller, S, Huber, K.V.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-11-20 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Benzoisoquinolinediones as Potent and Selective Inhibitors of BRPF2 and TAF1/TAF1L Bromodomains.
J. Med. Chem., 60, 2017
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