6NTU
 
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6D43
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6O04
 | | M.tb MenD IntII bound with Inhibitor | | Descriptor: | (1~{R},2~{S},5~{S},6~{S})-2-[(1~{S})-1-[3-[(4-azanylidene-2-methyl-1~{H}-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl (phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-3-ium-2-yl]-1,4-bis(oxidanyl)-4-oxidanylidene-butyl]-6-oxidanyl-5-(3-oxid anyl-3-oxidanylidene-prop-1-en-2-yl)oxy-cyclohex-3-ene-1-carboxylic acid, 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ... | | Authors: | Johnston, J.M, Bashiri, G, Bulloch, E.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Baker, E.N. | | Deposit date: | 2019-02-15 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
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6NTP
 | | PTP1B Domain of PTP1B-LOV2 Chimera | | Descriptor: | MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1,NPH1-1 | | Authors: | Hongdusit, A, Sankaran, B, Zwart, P.H, Fox, J.M. | | Deposit date: | 2019-01-30 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Minimally disruptive optical control of protein tyrosine phosphatase 1B.
Nat Commun, 11, 2020
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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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6NYU
 | | The X-ray crystal structure of Staphylococcus aureus Fatty Acid Kinase (Fak) B1 F263T mutant protein to 2.18 Angstrom resolution | | Descriptor: | DegV domain-containing protein, GLYCEROL, MYRISTIC ACID, ... | | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, White, S.W, Rock, C.O. | | Deposit date: | 2019-02-12 | | Release date: | 2020-02-12 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.183 Å) | | Cite: | The X-ray crystal structure of STAPHYLOCOCCUS AUREUS Fatty Acid Kinase (Fak) B1 protein F263T mutant to 2.18 Angstrom resolution
To Be Published
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6G4U
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6G4I
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6G4K
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6G4V
 | | The solution NMR structure of [C18S,C24S]brevinin-1BYa in 33% trifluoroethanol | | Descriptor: | [C18S,C24S]brevinin-1BYa | | Authors: | Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M. | | Deposit date: | 2018-03-28 | | Release date: | 2019-10-16 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
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6G4X
 | | The solution NMR structure of [C18S,C24S]brevinin-1BYa in sodium dodecyl sulphate micelles | | Descriptor: | [C18S,C24S]brevinin-1BYa | | Authors: | Timmons, P.B, O'Flynn, D.P, Conlon, J.M, Hewage, C.M. | | Deposit date: | 2018-03-28 | | Release date: | 2019-10-16 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Insights into conformation and membrane interactions of the acyclic and dicarba-bridged brevinin-1BYa antimicrobial peptides.
Eur.Biophys.J., 48, 2019
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6NF5
 | | BG505 MD64 N332-GT5 SOSIP trimer in complex with BG18-like precursor HMP1 fragmentantigen binding and base-binding RM20A3 fragment antigen binding | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG18-like precursor HMP1 fragment antigen binding heavy chain, ... | | Authors: | Ozorowski, G, Torres, J.L, Steichen, J.M, Schief, W.R, Ward, A.B. | | Deposit date: | 2018-12-18 | | Release date: | 2019-11-06 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | A generalized HIV vaccine design strategy for priming of broadly neutralizing antibody responses.
Science, 366, 2019
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6NM1
 | | The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein A158L mutant to 2.33 Angstrom resolution exhibits a conformation change compared to the wild type form | | Descriptor: | Fatty acid Kinase (Fak) B1 protein, MYRISTIC ACID | | Authors: | Cuypers, M.G, Gullett, J.M, Subramanian, C, Ericson, M, White, S.W, Rock, C.O. | | Deposit date: | 2019-01-10 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Identification of structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes.
J.Biol.Chem., 298, 2022
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6NRG
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT57 | | Descriptor: | 2-{[3-fluoro-4-(1H-tetrazol-5-yl)phenyl]methyl}-3-hydroxy-1-benzofuran-7-carboxamide, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 1, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6NM4
 | | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | | Descriptor: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | | Authors: | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
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6NRF
 | | Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT103 | | Descriptor: | 2-({4-[4-(1H-benzimidazol-2-yl)piperazine-1-carbonyl]phenyl}methyl)-3-hydroxy-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | | Authors: | Langelier, M.F, Pascal, J.M. | | Deposit date: | 2019-01-23 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity.
J.Med.Chem., 62, 2019
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6N51
 | | Metabotropic Glutamate Receptor 5 bound to L-quisqualate and Nb43 | | Descriptor: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5, ... | | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | | Deposit date: | 2018-11-20 | | Release date: | 2019-01-23 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
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6NCM
 | | Crystal structure of the human FOXN3 DNA binding domain in complex with a forkhead-like (FHL) DNA sequence | | Descriptor: | DNA (5'-D(*AP*TP*AP*GP*CP*GP*TP*CP*TP*TP*AP*GP*CP*AP*TP*G)-3'), DNA (5'-D(*TP*CP*AP*TP*GP*CP*TP*AP*AP*GP*AP*CP*GP*CP*TP*A)-3'), Forkhead box protein N3, ... | | Authors: | Rogers, J.M, Jarrett, S.M, Seegar, T.C, Waters, C.T, Hallworth, A.N, Blacklow, S.C, Bulyk, M.L. | | Deposit date: | 2018-12-11 | | Release date: | 2019-02-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.704 Å) | | Cite: | Bispecific Forkhead Transcription Factor FoxN3 Recognizes Two Distinct Motifs with Different DNA Shapes.
Mol. Cell, 74, 2019
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6NDY
 | | Vps4 with Cyclic Peptide Bound in the Central Pore | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Designed Cyclic Peptide, ... | | Authors: | Han, H, Fulcher, J.M, Dandey, V.P, Sundquist, W.I, Kay, M.S, Shen, P, Hill, C.P. | | Deposit date: | 2018-12-14 | | Release date: | 2019-08-21 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structure of Vps4 with circular peptides and implications for translocation of two polypeptide chains by AAA+ ATPases.
Elife, 8, 2019
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6O0N
 | | M.tb MenD with Inhibitor | | Descriptor: | 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | | Authors: | Johnston, J.M, Ho, N.A.T, Bashiri, G, Bulloch, E.M, Nigon, L.V, Jirgis, E.M.N, Baker, E.N. | | Deposit date: | 2019-02-16 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
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6O0J
 | | M.tb MenD with ThDP and Inhibitor bound | | Descriptor: | 1,4-dihydroxy-2-naphthoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, ACETATE ION, ... | | Authors: | Johnston, J.M, Bashiri, G, Bulloch, E.M.M, Jirgis, E.M.N, Nigon, L.V, Chuang, H, Ho, N.A.T, Baker, E.N. | | Deposit date: | 2019-02-16 | | Release date: | 2020-02-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Allosteric regulation of menaquinone (vitamin K2) biosynthesis in the human pathogenMycobacterium tuberculosis.
J.Biol.Chem., 295, 2020
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6OEI
 | | Yeast Spc42 N-terminal coiled-coil fused to PDB: 3K2N | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Spindle pole body component SPC42,Sigma-54-dependent transcriptional regulator | | Authors: | Drennan, A.C, Krishna, S, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jaspersen, S.L, Rayment, I. | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-24 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication.
Mol.Biol.Cell, 30, 2019
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6OF2
 | | Precursor ribosomal RNA processing complex, State 2. | | Descriptor: | CLP1_P domain-containing protein, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Pillon, M.C, Hsu, A.L, Krahn, J.M, Williams, J.G, Goslen, K.H, Sobhany, M, Borgnia, M.J, Stanley, R.E. | | Deposit date: | 2019-03-28 | | Release date: | 2019-09-11 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM reveals active site coordination within a multienzyme pre-rRNA processing complex.
Nat.Struct.Mol.Biol., 26, 2019
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6N52
 | | Metabotropic Glutamate Receptor 5 Apo Form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 5 | | Authors: | Koehl, A, Hu, H, Feng, D, Sun, B, Weis, W.I, Skiniotis, G.S, Mathiesen, J.M, Kobilka, B.K. | | Deposit date: | 2018-11-20 | | Release date: | 2019-01-23 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the activation of metabotropic glutamate receptors.
Nature, 566, 2019
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6N64
 | | Crystal structure of mouse SMCHD1 hinge domain | | Descriptor: | Structural maintenance of chromosomes flexible hinge domain-containing protein 1, Uncharacterized peptide from Structural maintenance of chromosomes flexible hinge domain-containing protein 1 | | Authors: | Birkinshaw, R.W, Chen, K, Czabotar, P.E, Blewitt, M.E, Murphy, J.M. | | Deposit date: | 2018-11-25 | | Release date: | 2020-06-17 | | Last modified: | 2021-01-20 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal structure of the hinge domain of Smchd1 reveals its dimerization mode and nucleic acid-binding residues.
Sci.Signal., 13, 2020
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