7LNJ
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8P9G
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB390 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[(~{E})-(6-methyl-7-oxidanyl-1~{H}-indol-4-yl)diazenyl]benzamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9H
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB437 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-2-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)quinoline-6-carboxamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8ISJ
| Pr conformer of Arabidopsis thaliana phytochrome A - AtphyA-Pr | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | Deposit date: | 2023-03-20 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor. Cell Res., 33, 2023
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8P9K
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB503 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-azanyl-5-phenyl-phenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8ISK
| Pr conformer of Zea mays phytochrome A1 - ZmphyA1-Pr | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | Deposit date: | 2023-03-20 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor. Cell Res., 33, 2023
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8P9I
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB462 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)benzamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8P9J
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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8ISI
| Photochromobilin-free form of Arabidopsis thaliana phytochrome A - apo-AtphyA | Descriptor: | Phytochrome A | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | Deposit date: | 2023-03-20 | Release date: | 2023-08-09 | Last modified: | 2023-10-11 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor. Cell Res., 33, 2023
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8P9F
| Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide | Authors: | Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-06-06 | Release date: | 2023-07-05 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19, 2024
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7DSC
| CALHM1 open state with disordered CTH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | Authors: | Ren, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2020-12-30 | Release date: | 2022-01-05 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel. J.Biol.Chem., 298, 2022
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7DSD
| CALHM1 close state with disordered CTH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | Authors: | Ren, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2020-12-30 | Release date: | 2022-01-05 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel. J.Biol.Chem., 298, 2022
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7DSE
| CALHM1 close state with ordered CTH | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Calcium homeostasis modulator 1 | Authors: | Ren, Y, Yang, X, Shen, Y.Q. | Deposit date: | 2020-12-30 | Release date: | 2022-01-05 | Last modified: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the heptameric calcium homeostasis modulator 1 channel. J.Biol.Chem., 298, 2022
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1D5M
| X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Swain, A.L, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-07 | Release date: | 2000-06-28 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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7DTU
| Human Calcium-Sensing Receptor bound with L-Trp | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTW
| Human Calcium-Sensing Receptor in the inactive close-close conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Extracellular calcium-sensing receptor | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTT
| Human Calcium-Sensing Receptor bound with calcium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Sun, D.M, Liu, L, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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7DTV
| Human Calcium-Sensing Receptor bound with L-Trp and calcium ions | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ling, S.L, Tian, C.L, Shi, P, Liu, S.L, Meng, X.Y, Liu, L, Sun, D.M, Shi, C.W. | Deposit date: | 2021-01-06 | Release date: | 2021-03-10 | Last modified: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural mechanism of cooperative activation of the human calcium-sensing receptor by Ca 2+ ions and L-tryptophan. Cell Res., 31, 2021
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5GZO
| Structure of neutralizing antibody bound to Zika envelope protein | Descriptor: | Antibody heavy chain, Antibody light chain, Genome polyprotein | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2016-09-29 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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1D5X
| X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB | Descriptor: | DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-12 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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1D5Z
| X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB | Descriptor: | PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR) | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-12 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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6IF4
| Crystal structure of Tbtudor | Descriptor: | Histone acetyltransferase | Authors: | Gao, J, Ye, K, Diwu, Y, Liao, S, Tu, X. | Deposit date: | 2018-09-18 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.934 Å) | Cite: | Crystal structure of TbEsa1 presumed Tudor domain from Trypanosoma brucei. J.Struct.Biol., 209, 2020
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1D6E
| CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | Descriptor: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | Authors: | Swain, A, Crowther, R, Kammlott, U. | Deposit date: | 1999-10-13 | Release date: | 2000-06-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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5TZU
| Crystal structure of human CD47 ECD bound to Fab of B6H12.2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Cardoso, R.M.F. | Deposit date: | 2016-11-22 | Release date: | 2017-03-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Anti-leukemic activity and tolerability of anti-human CD47 monoclonal antibodies. Blood Cancer J, 7, 2017
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8CY5
| CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 39 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), N-{3-[1-(tert-butoxycarbonyl)piperidin-4-yl]propyl}adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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