4WN5
 
 | | Crystal structure of the C-terminal Per-Arnt-Sim (PASb) of human HIF-3alpha9 bound to 18:1-1-monoacylglycerol | | Descriptor: | HEXAETHYLENE GLYCOL, Hypoxia-inducible factor 3-alpha, MONOVACCENIN, ... | | Authors: | Fala, A.M, Oliveira, J.F, Dias, S.M, Ambrosio, A.L. | | Deposit date: | 2014-10-10 | | Release date: | 2015-08-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Unsaturated fatty acids as high-affinity ligands of the C-terminal Per-ARNT-Sim domain from the Hypoxia-inducible factor 3 alpha.
Sci Rep, 5, 2015
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8A4X
 | | Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III | | Descriptor: | (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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5N0K
 | | Rat ceruloplasmin orthorhombic form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Samygina, V.R, Sokolov, A.V, Bourenkov, G, Vasilyev, V.B. | | Deposit date: | 2017-02-03 | | Release date: | 2017-12-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rat ceruloplasmin: a new labile copper binding site and zinc/copper mosaic.
Metallomics, 9, 2017
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6G52
 | | CRYSTAL STRUCTURE OF THE CNMP BINDING DOMAIN OF THE MAGNESIUM TRANSPORTER CNNM4 | | Descriptor: | Metal transporter CNNM4 | | Authors: | Gimenez, P, Oyenarte, I, Hardy, S, Zubillaga, M, Merino, N, Blanco, F.J, Siliqi, D, Tremblay, M, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2018-03-28 | | Release date: | 2019-04-10 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (3.691 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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6ZII
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6T2W
 | | Crystal structure of the CSF1R kinase domain with a dihydropurinone inhibitor (compound 4) | | Descriptor: | 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Macrophage colony-stimulating factor 1 receptor, SULFATE ION | | Authors: | Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E. | | Deposit date: | 2019-10-09 | | Release date: | 2020-01-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
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8A4U
 | | Crystal structure of human cathepsin L with CAA0225 | | Descriptor: | (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ... | | Authors: | Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
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4WRU
 | | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with uracil, Form II | | Descriptor: | CHLORIDE ION, GLYCEROL, URACIL, ... | | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | | Deposit date: | 2014-10-25 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
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6T35
 | | Crystal structure of AmpC from E.coli with Enmetazobactam (AAI-101) | | Descriptor: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | | Deposit date: | 2019-10-10 | | Release date: | 2020-11-18 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Studies on enmetazobactam clarify mechanisms of widely used beta-lactamase inhibitors.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7TSX
 | | Structure of Enterobacter cloacae Cap2 bound to CdnD02 C-terminus, Apo state | | Descriptor: | Cap2, Cyclic AMP-AMP-GMP synthase | | Authors: | Ye, Q, Gu, Y, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. | | Deposit date: | 2022-01-31 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Nature, 616, 2023
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6Q9D
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7TQD
 | | Structure of Enterobacter cloacae Cap2-CdnD02 2:1 complex | | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Gu, Y, Ye, Q, Ledvina, H.E, Quan, Y, Lau, R.K, Zhou, H, Whiteley, A.T, Corbett, K.D. | | Deposit date: | 2022-01-26 | | Release date: | 2023-01-11 | | Last modified: | 2023-04-26 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | An E1-E2 fusion protein primes antiviral immune signalling in bacteria.
Nature, 616, 2023
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4WRY
 | | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-fluorouracil(B), Form I | | Descriptor: | 5-FLUOROURACIL, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | | Deposit date: | 2014-10-25 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
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7OTI
 | | Structure of ABCB1/P-glycoprotein in apo state | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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4WR2
 | | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site | | Descriptor: | CALCIUM ION, PENTAETHYLENE GLYCOL, Pyrimidine-specific ribonucleoside hydrolase RihA | | Authors: | Himmel, D.M, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Seidel, R.D, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-10-22 | | Release date: | 2014-11-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a putative pyrimidine-specific ribonucleoside hydrolase (RihA) Protein from Shewanella loihica PV-4 (SHEW_0697, Target PSI-029635) with divalent cation and PEG 400 bound at the active site
To be published
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6ZVK
 | | The Halastavi arva virus (HalV) intergenic region IRES promotes translation by the simplest possible initiation mechanism | | Descriptor: | 18S RIBOSOMAL RNA, 28S RIBOSOMAL RNA, 40S RIBOSOMAL PROTEIN ES17, ... | | Authors: | Abaeva, I.S, Vicens, Q, Bochler, A, Soufari, H, Simonetti, A, Pestova, T, Hashem, Y, Hellen, C.U.T. | | Deposit date: | 2020-07-24 | | Release date: | 2020-12-23 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | The Halastavi arva Virus Intergenic Region IRES Promotes Translation by the Simplest Possible Initiation Mechanism.
Cell Rep, 33, 2020
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4WRE
 | | Crystal Structure of Surfactant Protein-A DEDN Mutant (E171D/P175E/R197N/K203D) Complexed with Inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Rynkiewicz, M.J, Wu, H, Cafarella, T.R, Nikolaidis, N.M, Head, J.F, Seaton, B.A, McCormack, F.X. | | Deposit date: | 2014-10-23 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Differential ligand binding specificities of the pulmonary collectins are determined by the conformational freedom of a surface loop
To be published
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7THY
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4WS5
 | | Crystal structure of Mycobacterium tuberculosis uracil-DNA glycosylase in complex with 5-nitrouracil, Form III | | Descriptor: | 5-nitrouracil, CHLORIDE ION, Uracil-DNA glycosylase | | Authors: | Arif, S.M, Geethanandan, K, Mishra, P, Surolia, A, Varshney, U, Vijayan, M. | | Deposit date: | 2014-10-25 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural plasticity in Mycobacterium tuberculosis uracil-DNA glycosylase (MtUng) and its functional implications.
Acta Crystallogr.,Sect.D, 71, 2015
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8QUY
 | | Hexameric HIV-1 CA in complex with DDD01728501 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-methylphenyl)methyl]-1~{H}-quinoxaline-2,3-dione, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.88 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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8QVA
 | | Hexameric HIV-1 CA in complex with DDD01829894 | | Descriptor: | 1,2-ETHANEDIOL, 7-azanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one, Spacer peptide 1 | | Authors: | Petit, A.P, Fyfe, P.K. | | Deposit date: | 2023-10-17 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2 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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5N4N
 | | Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment like molecule 3,4-dimethyl-5-(1H-1,2,4-triazol-3-yl)thiophene-2-carbonitrile | | Descriptor: | 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile, Pimtide, Serine/threonine-protein kinase pim-1 | | Authors: | Siefker, C, Heine, A, Klebe, G. | | Deposit date: | 2017-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | A crystallographic fragment study with human Pim-1 kinase
to be published
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8CXJ
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6NXZ
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7U1N
 | | Crystal structure of the Anopheles darlingi AD-118 long form D7 salivary protein | | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, 2-ETHOXYETHANOL, ... | | Authors: | Alvarenga, P.H, Gittis, A.G, Garboczi, D.N, Andersen, J.F. | | Deposit date: | 2022-02-21 | | Release date: | 2022-05-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Functional aspects of evolution in a cluster of salivary protein genes from mosquitoes.
Insect Biochem.Mol.Biol., 146, 2022
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