7UKB
 
 | | Ancestral reconstruction of a plant alpha/beta-hydrolase | | Descriptor: | CHLORIDE ION, alpha/beta-hydrolase | | Authors: | Marshall, A.C, Rothzerg, E, Tuckey, A, Bond, C.S, Waters, M.T, Bennett, T.A. | | Deposit date: | 2022-04-01 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Ancestral reconstruction of a plant alpha/beta-hydrolase
To be published
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5K6R
 | | Crystal structure of Arabidopsis thaliana acetohydroxyacid synthase in complex with a sulfonylamino-carbonyl-triazolinone herbicide, thiencarbazone-methyl | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | | Authors: | Garcia, M.D, Lonhienne, T, Guddat, L.W. | | Deposit date: | 2016-05-25 | | Release date: | 2017-02-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.734 Å) | | Cite: | Comprehensive understanding of acetohydroxyacid synthase inhibition by different herbicide families.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8DG2
 | | Crystal Structure of EcDsbA in a complex with DMSO | | Descriptor: | COPPER (II) ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Whitehouse, R.L, Ilyichova, O.V, Taylor, A.J. | | Deposit date: | 2022-06-23 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores.
Rsc Med Chem, 14, 2023
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7UWP
 | | Detergent-bound CYP51 from Acanthamoeba castellanii | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, PROTOPORPHYRIN IX CONTAINING FE, sterol 14a-demethylase | | Authors: | Hargrove, T.Y, Wawrzak, Z, Lepesheva, G.I. | | Deposit date: | 2022-05-03 | | Release date: | 2023-04-12 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of Potent and Selective Inhibitors of Acanthamoeba: Structural Insights into Sterol 14-Demethylase as a Key Drug Target
J.Med.Chem., 2024
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5FKE
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5K7B
 | | Beclin 2 CCD homodimer | | Descriptor: | Beclin-2 | | Authors: | Su, M, Sinha, S. | | Deposit date: | 2016-05-25 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | BECN2 interacts with ATG14 through a metastable coiled-coil to mediate autophagy.
Protein Sci., 26, 2017
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6NVR
 | | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in Apo form | | Descriptor: | tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V.M, Blundell, T.L. | | Deposit date: | 2019-02-05 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.562 Å) | | Cite: | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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8P35
 | | Mutant human titin immunoglobulin-like 21 domain - C3575S | | Descriptor: | Titin | | Authors: | Martinez-Martin, I, Crousilles, A, Mortensen, S.A, Alegre-Cebollada, J, Wilmanns, M. | | Deposit date: | 2023-05-17 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Titin domains with reduced core hydrophobicity cause dilated cardiomyopathy.
Cell Rep, 42, 2023
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6O0G
 | | M.tb MenD bound to Intermediate I and Inhibitor | | Descriptor: | 1,4-dihydroxy-2-naphthoic acid, 2-OXOGLUTARIC ACID, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | Authors: | Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Chuang, H, Nigon, L.V, Baker, E.N. | | Deposit date: | 2019-02-16 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
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7UOD
 | | Crystal structure of a lectin from Canavalia maritima seed (ConM) complexed with 2,4-dichloro-phenoxyacetic acid | | Descriptor: | (2,4-DICHLOROPHENOXY)ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Sousa, J.P, Bezerra, E.H.S, Sales, M.V, Queiroz, P.P, da Silva, F.M.S, Carvalho, C.P.S, Freire, V.N, Rocha, B.A.M. | | Deposit date: | 2022-04-12 | | Release date: | 2023-04-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural analysis of Canavalia maritima lectin complexed with auxins
To Be Published
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8OQH
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6O0W
 | | Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 in complex with NADP+ and Bis-Tris | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-2'-5'-DIPHOSPHATE, TIR-NB-LRR type resistance protein RUN1 | | Authors: | Horsefield, S, Burdett, H, Zhang, X, Manik, M.K, Shi, Y, Chen, J, Tiancong, Q, Gilley, J, Lai, J, Gu, W, Rank, M, Casey, L, Ericsson, D.J, Foley, G, Hughes, R.O, Bosanac, T, von Itzstein, M, Rathjen, J.P, Nanson, J.D, Boden, M, Dry, I.B, Williams, S.J, Staskawicz, B.J, Coleman, M.P, Ve, T, Dodds, P.N, Kobe, B. | | Deposit date: | 2019-02-17 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | NAD+cleavage activity by animal and plant TIR domains in cell death pathways.
Science, 365, 2019
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7UJI
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5VL5
 | | Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere | | Descriptor: | COPPER (II) ION, Streptavidin, [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper | | Authors: | Mann, S.I, Heinisch, T, Ward, T.R, Borovik, A.S. | | Deposit date: | 2017-04-24 | | Release date: | 2018-04-18 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Coordination chemistry within a protein host: regulation of the secondary coordination sphere.
Chem. Commun. (Camb.), 54, 2018
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5FJQ
 | | Structural and functional analysis of a lytic polysaccharide monooxygenase important for efficient utilization of chitin in Cellvibrio japonicus | | Descriptor: | CARBOHYDRATE BINDING PROTEIN, PUTATIVE, CPB33A, ... | | Authors: | Forsberg, Z, Nelson, C.E, Dalhus, B, Mekasha, S, Loose, J.S.M, Rohr, A.K, Eijsink, V.G.H, Gardner, J.G, Vaaje-Kolstad, G. | | Deposit date: | 2015-10-12 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio Japonicus
J.Biol.Chem., 291, 2016
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8OY0
 | | ATP phosphoribosyltransferase (HisZG ATPPRT) from Acinetobacter baumanii | | Descriptor: | ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, GLYCEROL, ... | | Authors: | Alphey, M.S, Read, B, da Silva, R.G. | | Deposit date: | 2023-05-03 | | Release date: | 2023-11-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure, Steady-State, and Pre-Steady-State Kinetics of Acinetobacter baumannii ATP Phosphoribosyltransferase.
Biochemistry, 63, 2024
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7Q8A
 | | Crystal structure of tandem domain RRM1-2 of FUBP-interacting repressor (FIR) bound to FUSE ssDNA fragment | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(P*GP*T)-3'), Poly(U)-binding-splicing factor PUF60, ... | | Authors: | Ni, X, Joerger, A.C, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-10 | | Release date: | 2022-11-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of tandem domain RRM1-2 of FIR bound to FUSE ssDNA fragment
To Be Published
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7ULJ
 | | Hsp90b N-terminal domain in complex with 42C | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Heat shock protein HSP 90-beta, ... | | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | Deposit date: | 2022-04-05 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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6NWR
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6O1Y
 | | Structure of pCW3 conjugation coupling protein TcpA monomeric form with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA translocase coupling protein, beta-D-glucopyranose | | Authors: | Traore, D.A.K, Ahktar, N, Torres, V.T, Adams, V, Coulibaly, F, Panjikar, S, Caradoc-Davies, T.T, Rood, J.I, Whisstock, J.C. | | Deposit date: | 2019-02-22 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure of pCW3 conjugation coupling protein TcpA
To be published
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7Q94
 | | Crystal Structure of Agrobacterium tumefaciens NADQ, DNA complex. | | Descriptor: | DNA binding region (31-MER), NADQ transcription factor | | Authors: | Cianci, M, Minazzato, G, Heroux, A, Raffaelli, N, Sorci, L, Gasparrini, M. | | Deposit date: | 2021-11-11 | | Release date: | 2022-11-09 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (4.3 Å) | | Cite: | Bacterial NadQ (COG4111) is a Nudix-like, ATP-responsive regulator of NAD biosynthesis.
J.Struct.Biol., 214, 2022
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8DAM
 | | nbF3:nbE8:CaV beta subunit 1b complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody E8, SULFATE ION, ... | | Authors: | Nirwan, N, Minor, D.L. | | Deposit date: | 2022-06-13 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selective posttranslational inhibition of Ca V beta 1 -associated voltage-dependent calcium channels with a functionalized nanobody.
Nat Commun, 13, 2022
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7ULL
 | | Human Grp94 N-terminal domain in complex with 42C | | Descriptor: | DIMETHYL SULFOXIDE, Endoplasmin, GLYCEROL, ... | | Authors: | Stachowski, T.R, Nithianantham, S, Vanarotti, M, Fischer, M. | | Deposit date: | 2022-04-05 | | Release date: | 2023-04-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Pan-HSP90 ligand binding reveals isoform-specific differences in plasticity and water networks.
Protein Sci., 32, 2023
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6NG5
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with (R)-6-(3-fluoro-5-(2-(1-methylpyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, GLYCEROL, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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5FUF
 | | Crystal structure of the Mep2 mutant S453D from Candida albicans | | Descriptor: | AMMONIUM TRANSPORTER, DECYL-BETA-D-MALTOPYRANOSIDE | | Authors: | van den Berg, B, Chembath, A, Jefferies, D, Basle, A, Khalid, S, Rutherford, J. | | Deposit date: | 2016-01-26 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.066 Å) | | Cite: | Structural Basis for Mep2 Ammonium Transceptor Activation by Phosphorylation.
Nat.Commun., 7, 2016
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