6YL2
 
 | | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism | | Descriptor: | DNA (5'-D(*AP*CP*GP*TP*TP*AP*AP*TP*GP*AP*CP*GP*AP*TP*TP*AP*AP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*TP*TP*AP*AP*TP*CP*GP*TP*CP*AP*TP*TP*AP*AP*CP*GP*T)-3'), Probable transcriptional regulatory protein (Probably TetR-family) | | Authors: | Keep, N.H, Pritchard, J.E, Sula, A, Cole, A.R, Kendall, S.L. | | Deposit date: | 2020-04-06 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and DNA binding studies of the transcriptional repressor Rv2506 (BkaR) from Mycobacterium tuberculosis supports a role in L-Leucine catabolism
To be published
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6MW2
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6YM1
 | | Mycobacterium tuberculosis FtsZ in complex with GDP | | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE | | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
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8Q1G
 | | LSD1-CoREST bound to Acetylated K14 of Histone H3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | | Authors: | Barone, M, Mattevi, A. | | Deposit date: | 2023-07-31 | | Release date: | 2024-05-15 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
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6PPW
 | | Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis, in complex with magnesium and malate | | Descriptor: | D-MALATE, MAGNESIUM ION, N-acetylneuraminate synthase | | Authors: | Rosanally, A.Z, Junop, M.S, Berti, P.J. | | Deposit date: | 2019-07-08 | | Release date: | 2019-10-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | NeuNAc Oxime: A Slow-Binding and Effectively Irreversible Inhibitor of the Sialic Acid Synthase NeuB.
Biochemistry, 58, 2019
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8Q1J
 | | LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Histone H3.3C, Lysine-specific histone demethylase 1A, ... | | Authors: | Barone, M, Mattevi, A. | | Deposit date: | 2023-07-31 | | Release date: | 2024-05-15 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Uncoupling histone modification crosstalk by engineering lysine demethylase LSD1.
Nat.Chem.Biol., 2024
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7QOA
 | | Structure of CodB, a cytosine transporter in an outward-facing conformation | | Descriptor: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-AMINOPYRIMIDIN-2(1H)-ONE, Cytosine permease, ... | | Authors: | Hatton, C.E, Cameron, A.D. | | Deposit date: | 2021-12-23 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of cytosine transport protein CodB provides insight into nucleobase-cation symporter 1 mechanism.
Embo J., 41, 2022
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6PRM
 | | Crystal structure of apo PsS1_19B | | Descriptor: | CALCIUM ION, exo-4S-kappa carrageenan S1 sulfatase | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2019-07-10 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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6V7T
 | | Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime | | Descriptor: | ACYLATED CEFTAZIDIME, Beta-lactamase | | Authors: | Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G. | | Deposit date: | 2019-12-09 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
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7QOR
 | | Structure of beta-lactamase TEM-171 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | Authors: | Hakanpaa, J, Petrova, T, Samygina, V.R, Chojnowski, G, Lamzin, V, Egorov, A.M. | | Deposit date: | 2021-12-28 | | Release date: | 2022-07-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Crystal structures of the molecular class A beta-lactamase TEM-171 and its complexes with tazobactam.
Acta Crystallogr D Struct Biol, 78, 2022
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6PNR
 | | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ | | Descriptor: | Alpha-glucosidase, SULFATE ION, [(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)piperidin-3-yl]methanesulfonic acid | | Authors: | Jarva, M.A, Lingford, J.P, John, A, Goddard-Borger, E.D. | | Deposit date: | 2019-07-03 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A GH31 family sulfoquinovosidase from E. rectale in complex with aza-sugar inhibitor IFGSQ
To Be Published
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7QG6
 | | Co-crystal structure of UPF3A-RRM-NOPS-L with UPF2-MIF4GIII | | Descriptor: | CHLORIDE ION, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3A, ... | | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | | Deposit date: | 2021-12-07 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
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6VDY
 | | Crystal Structure of Dehaloperoxidase B wild type in Complex with Substrate Trichlorophenol | | Descriptor: | 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase B, ... | | Authors: | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | | Deposit date: | 2019-12-27 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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7T3E
 | | Structure of the sialic acid bound Tripartite ATP-independent Periplasmic (TRAP) periplasmic component SiaP from Photobacterium profundum | | Descriptor: | N-acetyl-beta-neuraminic acid, SULFATE ION, TRAP-type C4-dicarboxylate transport system, ... | | Authors: | Davies, J.S, Currie, M.J, North, R.A, Dobson, R.C.J. | | Deposit date: | 2021-12-07 | | Release date: | 2022-12-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Structure and mechanism of a tripartite ATP-independent periplasmic TRAP transporter.
Nat Commun, 14, 2023
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6YM9
 | | Mycobacterium tuberculosis FtsZ in complex with GTP-gamma-S | | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Cell division protein FtsZ | | Authors: | Alnami, A.T, Norton, R.S, Pena, H.P, Haider, M, kozielski, F. | | Deposit date: | 2020-04-08 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conformational Flexibility of A Highly Conserved Helix Controls Cryptic Pocket Formation in FtsZ.
J.Mol.Biol., 433, 2021
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6T0H
 | | Crystal structure of CYP124 in complex with 1-alpha-hydroxy-vitamin D3 | | Descriptor: | 1-alpha-hydroxy-vitamin D3, CHLORIDE ION, CYP124 in complex with inhibitor carbethoxyhexyl imidazole, ... | | Authors: | Bukhdruker, S, Marin, E, Varaksa, T, Gilep, A, Strushkevich, N, Borshchevskiy, V. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Metabolic Fate of Human Immunoactive Sterols in Mycobacterium tuberculosis.
J.Mol.Biol., 433, 2021
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6YON
 | | Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, SULFATE ION | | Authors: | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | | Deposit date: | 2020-04-14 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Endoglucanase S127C/A165C from Penicillium verruculosum
To Be Published
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6PPX
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6OZY
 | | Wild type GapR crystal structure 2 from C. crescentus | | Descriptor: | CADMIUM ION, UPF0335 protein CC_3319 | | Authors: | Tarry, M, Harmel, C, Taylor, J.A, Marczynski, G.T, Schmeing, T.M. | | Deposit date: | 2019-05-16 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.014 Å) | | Cite: | Structures of GapR reveal a central channel which could accommodate B-DNA.
Sci Rep, 9, 2019
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6YOU
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6YPP
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6P0E
 | | Human DNA Ligase 1 (E346A,E592A) bound to adenylated DNA containing an 8-oxo guanine:adenine base-pair | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Schellenberg, M.J, Williams, R.S, Tumbale, P.S, Riccio, A.A. | | Deposit date: | 2019-05-16 | | Release date: | 2019-12-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Two-tiered enforcement of high-fidelity DNA ligation.
Nat Commun, 10, 2019
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4YNE
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-09 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.0229 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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6P0R
 | | Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor | | Descriptor: | (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine, Histone-lysine N-methyltransferase SUV39H2, UNKNOWN ATOM OR ION, ... | | Authors: | Halabelian, L, Dong, A, Zeng, H, Loppnau, P, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-05-17 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Methyltransferase domain of human suppressor of variegation 3-9 homolog 2 (SUV39H2) in complex with OTS186935 inhibitor
to be published
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6YOT
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