7RUI
 
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844 | | Descriptor: | Bromodomain-containing protein 4, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(5-{[(2-fluorophenyl)carbamoyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-indol-4-yl}-2,2,2-trifluoroethane-1-sulfonamide | | Authors: | Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R. | | Deposit date: | 2021-08-17 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with XR844
To Be Published
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2M3E
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2M6U
 | | NMR Structure of CbpAN from Streptococcus pneumoniae | | Descriptor: | Choline binding protein A | | Authors: | Liu, A, Yan, H, Achila, D, Martinez-Hackert, E, Li, Y, Banerjee, R. | | Deposit date: | 2013-04-10 | | Release date: | 2014-04-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae.
Biochem.J., 465, 2015
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7T39
 | | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor | | Descriptor: | 7-[5-S-(4-{[(2-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Protein arginine N-methyltransferase 9 | | Authors: | Zeng, H, Dong, A, Hutchinson, A, Seitova, A, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-12-07 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Co-crystal structure of human PRMT9 in complex with MT221 inhibitor
To Be Published
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1S1J
 | | Crystal Structure of ZipA in complex with indoloquinolizin inhibitor 1 | | Descriptor: | (12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-a]quinolizin-7(6H)-one, Cell division protein zipA | | Authors: | Jenning, L.D, Foreman, K.W, Rush III, T.S, Tsao, D.H, Mosyak, L, Li, Y, Sukhdeo, M.N, Ding, W, Dushin, E.G, Kenney, C.H, Moghazeh, S.L, Peterson, P.J, Ruzin, A.V, Tuckman, M, Sutherland, A.G. | | Deposit date: | 2004-01-06 | | Release date: | 2004-05-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction
Bioorg.Med.Chem.Lett., 14, 2004
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6VAH
 | | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative | | Descriptor: | 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-17 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
to be published
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8A9W
 | | Crystal structure of PulL C-ter domain | | Descriptor: | SULFATE ION, Type II secretion system protein L | | Authors: | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | | Deposit date: | 2022-06-29 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.895 Å) | | Cite: | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
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2MQ6
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8A9X
 | | Crystal structure of PulM C-ter domain | | Descriptor: | Type II secretion system protein M | | Authors: | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | | Deposit date: | 2022-06-29 | | Release date: | 2023-01-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.523 Å) | | Cite: | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
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6C9G
 | | AMP-activated protein kinase bound to pharmacological activator R739 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1,5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6C9F
 | | AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1,5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.924 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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8AS8
 | | E. coli Wadjet JetABC monomer | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, JetA, JetB, ... | | Authors: | Roisne-Hamelin, F, Beckert, B, Li, Y, Myasnikov, A, Gruber, S. | | Deposit date: | 2022-08-18 | | Release date: | 2022-12-14 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | DNA-measuring Wadjet SMC ATPases restrict smaller circular plasmids by DNA cleavage.
Mol.Cell, 82, 2022
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1S1S
 | | Crystal Structure of ZipA in complex with indoloquinolizin 10b | | Descriptor: | Cell division protein zipA, N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2H)-yl]propyl}propane-2-sulfonamide | | Authors: | Jennings, L.D, Foreman, K.W, Rush III, T.S, Tsao, D.H, Mosyak, L, Li, Y, Sukhdeo, M.N, Ding, W, Dushin, E.G, Kenny, C.H, Moghazeh, S.L, Petersen, P.J, Ruzin, A.V, Tuckman, M, Sutherland, A.G. | | Deposit date: | 2004-01-07 | | Release date: | 2005-01-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and synthesis of indolo[2,3-a]quinolizin-7-one inhibitors of the ZipA-FtsZ interaction
BIOORG.MED.CHEM.LETT., 14, 2004
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6C9J
 | | AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Brunzelle, J.S, Hitoshi, Y, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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8AB1
 | | Crystal structure of the PulL-PulM C-terminal domain heterocomplex | | Descriptor: | Type II secretion system protein L, Type II secretion system protein M | | Authors: | Dazzoni, R, Li, Y, Lopez-Castilla, A, Brier, S, Mechaly, A, Cordier, F, Haouz, A, Nilges, M, Francetic, O, Bardiaux, B, Izadi-Pruneyre, N. | | Deposit date: | 2022-07-04 | | Release date: | 2023-01-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structure and dynamic association of an assembly platform subcomplex of the bacterial type II secretion system.
Structure, 31, 2023
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7R5F
 | | Crystal structure of YTHDF2 with compound YLI_DF_012 | | Descriptor: | 5-azanyl-6-methyl-1~{H}-pyrimidine-2,4-dione, CHLORIDE ION, SULFATE ION, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-10 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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7R5L
 | | Crystal structure of YTHDF2 with compound YLI_DC1_015 | | Descriptor: | 3,6-dimethyl-2~{H}-1,2,4-triazin-5-one, SULFATE ION, YTH domain-containing family protein 2 | | Authors: | Nachawati, R, Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-10 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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6C9H
 | | non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6WAJ
 | | Crystal structure of the UBL domain of human NLE1 | | Descriptor: | NLE1, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-03-25 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the UBL domain of human NLE1
To be Published
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1RW9
 | | Crystal structure of the Arthrobacter aurescens chondroitin AC lyase | | Descriptor: | PHOSPHATE ION, SODIUM ION, chondroitin AC lyase | | Authors: | Lunin, V.V, Li, Y, Linhardt, R.J, Miyazono, H, Kyogashima, M, Kaneko, T, Bell, A.W, Cygler, M. | | Deposit date: | 2003-12-16 | | Release date: | 2004-04-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism
J.Mol.Biol., 337, 2004
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1RWH
 | | Crystal structure of Arthrobacter aurescens chondroitin AC lyase in complex with chondroitin tetrasaccharide | | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-2,6-anhydro-3-deoxy-L-xylo-hexonic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Lunin, V.V, Li, Y, Miyazono, H, Kyogashima, M, Bell, A.W, Cygler, M. | | Deposit date: | 2003-12-16 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism
J.Mol.Biol., 337, 2004
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7R5W
 | | Crystal structure of YTHDF2 with compound YLI_DF_029 | | Descriptor: | 6-cyclopropyl-1H-pyrimidine-2,4-dione, CHLORIDE ION, GLYCEROL, ... | | Authors: | Nai, F, Li, Y, Caflisch, A. | | Deposit date: | 2022-02-11 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Fragment Ligands of the m 6 A-RNA Reader YTHDF2.
Acs Med.Chem.Lett., 13, 2022
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1RWC
 | | Crystal structure of Arthrobacter aurescens chondroitin AC lyase | | Descriptor: | 2,6-anhydro-3-deoxy-L-threo-hex-2-enonic acid-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Lunin, V.V, Li, Y, Miyazono, H, Kyogashima, M, Bell, A.W, Cygler, M. | | Deposit date: | 2003-12-16 | | Release date: | 2004-04-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism
J.Mol.Biol., 337, 2004
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1RWA
 | | Crystal structure of Arthrobacter aurescens chondroitin AC lyase | | Descriptor: | GLYCEROL, MERCURY (II) ION, chondroitin AC lyase | | Authors: | Lunin, V.V, Li, Y, Miyazono, H, Kyogashima, M, Bell, A.W, Cygler, M. | | Deposit date: | 2003-12-16 | | Release date: | 2004-04-13 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | High-resolution crystal structure of Arthrobacter aurescens chondroitin AC lyase: an enzyme-substrate complex defines the catalytic mechanism
J.Mol.Biol., 337, 2004
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8BFN
 | | E. coli Wadjet JetABC dimer of dimers | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, JetA, JetB, ... | | Authors: | Roisne-Hamelin, F, Beckert, B, Myasnikov, A, Li, Y, Gruber, S. | | Deposit date: | 2022-10-26 | | Release date: | 2022-12-14 | | Last modified: | 2022-12-28 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | DNA-measuring Wadjet SMC ATPases restrict smaller circular plasmids by DNA cleavage.
Mol.Cell, 82, 2022
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