8R06
| CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE | Descriptor: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ... | Authors: | Offen, W.A, Davies, G.J, Breen, I.Z. | Deposit date: | 2023-10-30 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE JACS, 40, 2017
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6OYW
| ASK1 kinase domain in complex with Compound 11 | Descriptor: | (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase 5 | Authors: | Marcotte, D.J. | Deposit date: | 2019-05-15 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors. J.Med.Chem., 62, 2019
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6B2W
| C. Jejuni C315S Agmatine Deiminase with Substrate Bound | Descriptor: | AGMATINE, POTASSIUM ION, Putative peptidyl-arginine deiminase family protein | Authors: | Shek, R, Hicks, K.A, French, J.B. | Deposit date: | 2017-09-20 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and Functional Basis for Targeting Campylobacter jejuni Agmatine Deiminase To Overcome Antibiotic Resistance. Biochemistry, 56, 2017
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5F0H
| Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution | Descriptor: | 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | Deposit date: | 2015-11-27 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters. Org.Biomol.Chem., 14, 2016
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6XMC
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8A3N
| Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+ | Descriptor: | Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | Authors: | Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E. | Deposit date: | 2022-06-08 | Release date: | 2022-10-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism. Angew.Chem.Int.Ed.Engl., 61, 2022
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8QTO
| CRYSTAL STRUCTURE OF HOLO-L28H-FNR OF A. FISCHERI | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, FNR type regulator, IRON/SULFUR CLUSTER | Authors: | Volbeda, A, Fontecilla-Camps, J.C. | Deposit date: | 2023-10-13 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Probing the Reactivity of [4Fe-4S] Fumarate and Nitrate Reduction (FNR) Regulator with O2 and NO: Increased O2 Resistance and Relative Specificity for NO of the [4Fe-4S] L28H FNR Cluster Inorganics (Basel), 11, 2023
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8A0I
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8QHL
| Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide VPP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Gregory, K.S, Cozier, G.E, Acharya, K.R. | Deposit date: | 2023-09-08 | Release date: | 2023-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the inhibitory mechanism of angiotensin-I-converting enzyme by the lactotripeptides IPP and VPP. Febs Lett., 598, 2024
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6ISJ
| Crystal structure of CX-4945 bound CK2 alpha from C. neoformans | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | Authors: | Cho, H.S. | Deposit date: | 2018-11-16 | Release date: | 2019-11-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of CX-4945 bound CK2 alpha from C. neoformans To be published
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5UB9
| Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni | Descriptor: | ACETATE ION, ATP phosphoribosyltransferase, CHLORIDE ION, ... | Authors: | Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J. | Deposit date: | 2016-12-20 | Release date: | 2017-12-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase. Biochem. J., 475, 2018
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7ZQ4
| Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ and the oxidated catalytic cysteine | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase A, ... | Authors: | Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J. | Deposit date: | 2022-04-29 | Release date: | 2022-07-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH. Redox Biol, 54, 2022
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7JZA
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6XNL
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7PLP
| Human Teneurin-4 C-rich domain | Descriptor: | CALCIUM ION, FE (III) ION, NICKEL (II) ION, ... | Authors: | Beugelink, J.W, Meijer, D.H, Janssen, B.J.C. | Deposit date: | 2021-09-01 | Release date: | 2022-02-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions. Embo J., 41, 2022
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8A08
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6BFZ
| Crystal structure of enolase from E. coli with a mixture of apo form, substrate, and product form | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PHOSPHOGLYCERIC ACID, Enolase, ... | Authors: | Erlandsen, H, Wright, D, Krucinska, J. | Deposit date: | 2017-10-27 | Release date: | 2018-10-31 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens. Biochemistry, 58, 2019
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5UBJ
| Structure of an alpha-L-arabinofuranosidase (GH62) from Aspergillus nidulans | Descriptor: | Alpha-L-arabinofuranosidase axhA-2, CALCIUM ION | Authors: | Liberato, M.V, Contesini, F.J, Damasio, A.R, Squina, F.M. | Deposit date: | 2016-12-20 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and functional characterization of a highly secreted alpha-l-arabinofuranosidase (GH62) from Aspergillus nidulans grown on sugarcane bagasse. Biochim. Biophys. Acta, 1865, 2017
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6OZO
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6ISP
| structure of Candida antarctica Lipase B mutant | Descriptor: | CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE | Authors: | Cen, Y.X, Zhou, J.H, Wu, Q. | Deposit date: | 2018-11-18 | Release date: | 2019-07-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution. Nat Commun, 10, 2019
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5U2V
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8A0R
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6EKC
| Crystal structure of the BSD2 homolog of Arabidopsis thaliana bound to the octameric assembly of RbcL from Thermosynechococcus elongatus | Descriptor: | DnaJ/Hsp40 cysteine-rich domain superfamily protein, Ribulose bisphosphate carboxylase large chain, ZINC ION | Authors: | Aigner, H, Wilson, R.H, Bracher, A, Calisse, L, Bhat, J.Y, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2017-09-26 | Release date: | 2017-12-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Plant RuBisCo assembly in E. coli with five chloroplast chaperones including BSD2. Science, 358, 2017
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6XNF
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8R2G
| Crystal structure of a BRCA2-DMC1 complex | Descriptor: | Breast cancer type 2 susceptibility protein, Meiotic recombination protein DMC1/LIM15 homolog | Authors: | Dunce, J.M, Davies, O.R. | Deposit date: | 2023-11-05 | Release date: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Crystal structure of a BRCA2-DMC1 complex To Be Published
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