5G2E
| Structure of the Nap1 H2A H2B complex | Descriptor: | HISTONE H2A TYPE 1, HISTONE H2B 1.1, NUCLEOSOME ASSEMBLY PROTEIN | Authors: | AguilarGurrieri, C, Larabi, A, Vinayachandran, V, Patel, N.A, Yen, K, Reja, R, Ebong, I.O, Schoehn, G, Robinson, C.V, Pugh, B.F, Panne, D. | Deposit date: | 2016-04-07 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (6.7 Å) | Cite: | Structural Evidence for Nap1-Dependent H2A-H2B Deposition and Nucleosome Assembly. Embo J., 35, 2016
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1RNC
| NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION | Authors: | Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A. | Deposit date: | 1991-10-21 | Release date: | 1994-01-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Newly observed binding mode in pancreatic ribonuclease. J.Mol.Biol., 224, 1992
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1RND
| NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION | Authors: | Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A. | Deposit date: | 1991-10-21 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Newly observed binding mode in pancreatic ribonuclease. J.Mol.Biol., 224, 1992
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2JXR
| STRUCTURE OF YEAST PROTEINASE A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(morpholin-4-ylcarbonyl)-L-phenylalanyl-N-[(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-(methylamino)-4-oxobutyl]-L-norleucinamide, PROTEINASE A, ... | Authors: | Aguilar, C.F, Badasso, M, Dreyer, T, Cronin, N.B, Newman, M.P, Cooper, J.B, Hoover, D.J, Wood, S.P, Johnson, M.S, Blundell, T.L. | Deposit date: | 1997-04-24 | Release date: | 1997-10-29 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The three-dimensional structure at 2.4 A resolution of glycosylated proteinase A from the lysosome-like vacuole of Saccharomyces cerevisiae. J.Mol.Biol., 267, 1997
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3PVN
| Triclinic form of Human C-Reactive Protein in complex with Zinc | Descriptor: | C-reactive protein, CALCIUM ION, ZINC ION | Authors: | Guillon, C, Mavoungou Bigouagou, U, Jeannin, P, Delneste, Y, Gouet, P. | Deposit date: | 2010-12-07 | Release date: | 2012-01-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A Staggered Decameric Assembly of Human C-Reactive Protein Stabilized by Zinc Ions Revealed by X-ray Crystallography. Protein Pept.Lett., 22, 2014
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3PVO
| Monoclinic form of Human C-Reactive Protein | Descriptor: | C-Reactive Protein, CALCIUM ION | Authors: | Guillon, C, Mavoungou Bigouagou, U, Jeannin, P, Delneste, Y, Gouet, P. | Deposit date: | 2010-12-07 | Release date: | 2012-01-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A Staggered Decameric Assembly of Human C-Reactive Protein Stabilized by Zinc Ions Revealed by X-ray Crystallography. Protein Pept.Lett., 22, 2014
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8G5T
| Crystal structure of apo TnmK2 | Descriptor: | TnmK2 | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2023-02-14 | Release date: | 2023-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.846 Å) | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis. Nat.Chem.Biol., 20, 2024
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8G5U
| Crystal structure of TnmK2 complexed with TNM B | Descriptor: | TnmK2, methyl (2E)-3-[(1aS,11S,11aS,14Z,18R)-3,18-dihydroxy-4,9-dioxo-4,9,10,11-tetrahydro-11aH-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinolin-11a-yl]but-2-enoate | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2023-02-14 | Release date: | 2023-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.804 Å) | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis. Nat.Chem.Biol., 20, 2024
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8G5S
| Crystal structure of apo TnmJ | Descriptor: | TnmJ | Authors: | Liu, Y.-C, Li, G, Gui, C, Shen, B. | Deposit date: | 2023-02-14 | Release date: | 2023-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cofactorless oxygenases guide anthraquinone-fused enediyne biosynthesis. Nat.Chem.Biol., 20, 2024
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8E18
| Crystal structure of apo TnmK1 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Secreted hydrolase | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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8E19
| Crystal structure of TnmK1 complexed with TNM H | Descriptor: | (1R,8S,13S)-8-[(4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]-12-methoxy-10-methylbicyclo[7.3.1]trideca-9,11-diene-2,6-diyne-13-carbaldehyde, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SUCCINIC ACID, ... | Authors: | Liu, Y.-C, Gui, C, Shen, B. | Deposit date: | 2022-08-10 | Release date: | 2022-11-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Intramolecular C-C Bond Formation Links Anthraquinone and Enediyne Scaffolds in Tiancimycin Biosynthesis. J.Am.Chem.Soc., 144, 2022
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6G5G
| Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6G5F
| Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, GLYCEROL, MALONATE ION, ... | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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6G5K
| Crystal structure of the binding domain of Botulinum Neurotoxin type B in complex with human synaptotagmin 1 | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-1 | Authors: | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | Deposit date: | 2018-03-29 | Release date: | 2019-01-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models. Sci Adv, 5, 2019
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4R32
| Crystal Structure Analysis of Pyk2 and Paxillin LD motifs | Descriptor: | Paxillin, Protein-tyrosine kinase 2-beta | Authors: | Vanarotti, M, Miller, D.J, Guibao, C.D, Nourse, A, Zheng, J.J. | Deposit date: | 2014-08-13 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.505 Å) | Cite: | Structural and Mechanistic Insights into the Interaction between Pyk2 and Paxillin LD Motifs. J.Mol.Biol., 426, 2014
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154D
| DNA DISTORTION IN BIS-INTERCALATED COMPLEXES | Descriptor: | BIS-(N-ETHYLPYRIDINIUM-(3-METHOXYCARBAZOLE))HEXANE-1,6-DIAMINE, DNA (5'-D(*(CBR)P*GP*CP*G)-3') | Authors: | Peek, M.E, Lipscomb, L.A, Bertrand, J.A, Gao, Q, Roques, B.P, Garbay-Jaureguiberry, C, Williams, L.D. | Deposit date: | 1993-12-14 | Release date: | 1994-08-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | DNA distortion in bis-intercalated complexes. Biochemistry, 33, 1994
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6PJJ
| Human PRPF4B bound to benzothiophene inhibitor 224 | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | to be published To Be Published
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1W76
| Orthorhombic form of Torpedo californica acetylcholinesterase (AChE) complexed with bis-acting galanthamine derivative | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-08-30 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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1W4L
| Complex of TcAChE with bis-acting galanthamine derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-07-25 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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1W6R
| Complex of TcAChE with galanthamine derivative | Descriptor: | (-)-GALANTHAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | Authors: | Greenblatt, H.M, Guillou, C, Guenard, D, Badet, B, Thal, C, Silman, I, Sussman, J.L. | Deposit date: | 2004-08-23 | Release date: | 2004-11-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design. J.Am.Chem.Soc., 126, 2004
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6PCW
| Human PIM1 bound to benzothiophene inhibitor 213 | Descriptor: | 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-18 | Release date: | 2019-07-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PIM1 bound to benzothiophene inhibitor To Be Published
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6PK6
| Human PRPF4B bound to benzothiophene inhibitor 329 | Descriptor: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-28 | Release date: | 2019-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | to be published To Be Published
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6PDN
| Human PIM1 bound to benzothiophene inhibitor 292 | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ... | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human PIM1 To Be Published
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6PDO
| Human PIM1 bound to benzothiophene inhibitor 354 | Descriptor: | 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1 | Authors: | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human PIM1 To Be Published
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6PDI
| Human PIM1 bound to benzothiophene inhibitor 224 | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | Authors: | Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human PIM1 To Be Published
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