8CCX
 
 | | Human SOD1 in complex with S-XL6 cross-linker | | Descriptor: | COPPER (II) ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S. | | Deposit date: | 2023-01-27 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
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8Q6P
 | | X. laevis CMG dimer bound to dimeric DONSON - MCM ATPase | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA replication licensing factor mcm2, DNA replication licensing factor mcm4-B, ... | | Authors: | Butryn, A, Cvetkovic, M.A, Costa, A. | | Deposit date: | 2023-08-14 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | The structural mechanism of dimeric DONSON in replicative helicase activation.
Mol.Cell, 83, 2023
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8CJL
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor TPT-004 | | Descriptor: | 3-ethyl-8-[(2-methyl-5~{H}-imidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-(oxetan-3-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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7VCE
 | | Structural studies of human inositol monophosphatase-1 inhibition by ebselen | | Descriptor: | Inositol monophosphatase 1 | | Authors: | Abuhammad, A, Laurieri, N, Rice, A, Lowe, E.D, McDonough, M.A, Singh, N, Churchill, G.C. | | Deposit date: | 2021-09-02 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analysis of human inositol monophosphatase-1 inhibition by ebselen.
J.Biomol.Struct.Dyn., 2023
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7BB4
 | | Crystal structure of perdeuterated PLL lectin in complex with L-fucose | | Descriptor: | GLYCEROL, PLL lectin, alpha-L-fucopyranose, ... | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-16 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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8Q6O
 | | X. laevis CMG dimer bound to dimeric DONSON - without ATPase | | Descriptor: | Cell division control protein 45 homolog, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ... | | Authors: | Butryn, A, Cvetkovic, M.A, Costa, A. | | Deposit date: | 2023-08-14 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | The structural mechanism of dimeric DONSON in replicative helicase activation.
Mol.Cell, 83, 2023
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7BBI
 | | Joint X-ray/neutron room temperature structure of H/D-exchanged PLL lectin | | Descriptor: | PLL lectin | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-17 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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8CJO
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-004 | | Descriptor: | 1-[(3~{S})-3-(4-chloranyl-2-fluoranyl-phenyl)-1,4,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),8-dien-4-yl]-2-(2-ethyl-6-methyl-pyridin-3-yl)oxy-ethanone, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.86633706 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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109D
 | | VARIABILITY IN DNA MINOR GROOVE WIDTH RECOGNISED BY LIGAND BINDING: THE CRYSTAL STRUCTURE OF A BIS-BENZIMIDAZOLE COMPOUND BOUND TO THE DNA DUPLEX D(CGCGAATTCGCG)2 | | Descriptor: | 5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-5-BENZIMIDAZOLYL]BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Czarny, A, Boykin, D.W, Wood, A.A, Nunn, C.M, Neidle, S, Zhao, M, Wilson, W.D. | | Deposit date: | 1995-02-15 | | Release date: | 1995-05-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variability in DNA minor groove width recognised by ligand binding: the crystal structure of a bis-benzimidazole compound bound to the DNA duplex d(CGCGAATTCGCG)2.
Nucleic Acids Res., 23, 1995
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8CJM
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-047 | | Descriptor: | 7-(cyclobutylmethyl)-3-ethyl-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8EXA
 | | ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 1 (RuvC domain resolved) | | Descriptor: | DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB | | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V. | | Deposit date: | 2022-10-25 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
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8EX9
 | | ISDra2 TnpB in complex with reRNA and cognate DNA, conformation 2 (RuvC domain unresolved) | | Descriptor: | DNA (43-MER), RNA (150-MER), RNA-guided DNA endonuclease TnpB | | Authors: | Sasnauskas, G, Tamulaitiene, G, Carabias, A, Karvelis, T, Druteika, G, Silanskas, A, Montoya, G, Venclovas, C, Kazlauskas, D, Siksnys, V. | | Deposit date: | 2022-10-25 | | Release date: | 2023-04-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | TnpB structure reveals minimal functional core of Cas12 nuclease family.
Nature, 616, 2023
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7BBC
 | | Joint X-ray/neutron room temperature structure of perdeuterated PLL lectin in complex with perdeuterated L-fucose | | Descriptor: | PLL lectin, alpha-L-fucopyranose, beta-L-fucopyranose | | Authors: | Gajdos, L, Blakeley, M.P, Kumar, A, Wimmerova, M, Haertlein, M, Forsyth, V.T, Imberty, A, Devos, J.M. | | Deposit date: | 2020-12-17 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (1.84 Å), X-RAY DIFFRACTION | | Cite: | Visualization of hydrogen atoms in a perdeuterated lectin-fucose complex reveals key details of protein-carbohydrate interactions.
Structure, 29, 2021
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8QFG
 | | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8QFF
 | | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-11 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8CJK
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-098 | | Descriptor: | 3-ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.45914972 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8QFE
 | | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC | | Descriptor: | FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, MAGNESIUM ION | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8CJI
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-07-052 | | Descriptor: | FE (III) ION, Tryptophan 5-hydroxylase 1, methyl (2~{S})-2-azanyl-3-[[3-[[3-ethyl-2,6-bis(oxidanylidene)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purin-7-yl]methyl]phenyl]carbonylamino]propanoate | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8QFH
 | | Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8CJJ
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-057 | | Descriptor: | 3-ethyl-7-(phenylmethyl)-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.66415656 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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8QFJ
 | | Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8C84
 | | Crystal structure of MADS-box/MEF2D N-terminal domain complex | | Descriptor: | DNA (5'-D(P*AP*AP*CP*TP*AP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*TP*AP*TP*AP*AP*AP*TP*AP*GP*TP*T)-3'), MEF2D protein | | Authors: | Chinellato, M, Carli, A, Perin, S, Mazzoccato, Y, Di Giorgio, E, Brancolini, C, Angelini, A, Cendron, L. | | Deposit date: | 2023-01-18 | | Release date: | 2024-01-31 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Folding of Class IIa HDAC Derived Peptides into alpha-helices Upon Binding to Myocyte Enhancer Factor-2 in Complex with DNA.
J.Mol.Biol., 436, 2024
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8QFI
 | | Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 1.8 us delay | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Sato, T, Round, A, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | | Deposit date: | 2023-09-04 | | Release date: | 2023-11-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC.
J.Mol.Biol., 436, 2024
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8CJN
 | | Crystal structure of human tryptophan hydroxylase 1 in complex with inhibitor KM-06-070 | | Descriptor: | 3-ethyl-7-[(4-phenylphenyl)methyl]-8-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)purine-2,6-dione, FE (III) ION, Tryptophan 5-hydroxylase 1 | | Authors: | Schuetz, A, Mallow, K, Nazare, M, Specker, E, Heinemann, U. | | Deposit date: | 2023-02-13 | | Release date: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.68080938 Å) | | Cite: | Structure-Based Design of Xanthine-Imidazopyridines and -Imidazothiazoles as Highly Potent and In Vivo Efficacious Tryptophan Hydroxylase Inhibitors.
J.Med.Chem., 66, 2023
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4R0B
 | | Structure of dimeric human glycodelin | | Descriptor: | Glycodelin | | Authors: | Schiefner, A, Skerra, A. | | Deposit date: | 2014-07-30 | | Release date: | 2014-12-10 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | The dimeric crystal structure of the human fertility lipocalin glycodelin reveals a protein scaffold for the presentation of complex glycans.
Biochem.J., 466, 2015
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