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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