7PC6
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![BU of 7pc6 by Molmil](/molmil-images/mine/7pc6) | DNA-binding domain of a p53 homolog from the hydrothermal vent annelid Alvinella pompejana | Descriptor: | 1,2-ETHANEDIOL, DNA-binding domain, ZINC ION | Authors: | Balourdas, D.-I, Knapp, S, Soussi, T, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2021-08-03 | Release date: | 2022-03-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Evolutionary history of the p53 family DNA-binding domain: insights from an Alvinella pompejana homolog. Cell Death Dis, 13, 2022
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6TZV
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![BU of 6tzv by Molmil](/molmil-images/mine/6tzv) | Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with inhibitor Phenyl-Cyclodiaone from Mycobacterium tuberculosis | Descriptor: | 4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one, Probable propionyl-CoA carboxylase beta chain 6 | Authors: | Reddy, M.C.M, Zhou, N, Sacchettini, J, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2019-08-13 | Release date: | 2020-08-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Novel herbicidal derivatives that inhibit carboxyltransferase subunit of the acetyl-CoA carboxylase in Mycobacterium tuberculosis To Be Published
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6ZS3
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![BU of 6zs3 by Molmil](/molmil-images/mine/6zs3) | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Protein polybromo-1 | Authors: | Preuss, F, Joerger, A.C, Wanior, M, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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1NY4
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![BU of 1ny4 by Molmil](/molmil-images/mine/1ny4) | Solution structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. Northeast Structural Genomics Consortium target JR19. | Descriptor: | 30S ribosomal protein S28E | Authors: | Aramini, J.M, Cort, J.R, Huang, Y.J, Xiao, R, Acton, T.B, Ho, C.K, Shih, L.-Y, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-09-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution NMR structure of the 30S ribosomal protein S28E from Pyrococcus horikoshii. Protein Sci., 12, 2003
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6RV4
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![BU of 6rv4 by Molmil](/molmil-images/mine/6rv4) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation with a bound inhibitor BAY 2341237 | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, POTASSIUM ION, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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6ZS2
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![BU of 6zs2 by Molmil](/molmil-images/mine/6zs2) | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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7B34
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![BU of 7b34 by Molmil](/molmil-images/mine/7b34) | MST3 in complex with compound MRIA12 | Descriptor: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-28 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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6ZS4
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![BU of 6zs4 by Molmil](/molmil-images/mine/6zs4) | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | Descriptor: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-07-15 | Release date: | 2020-10-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J.Med.Chem., 63, 2020
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7B33
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![BU of 7b33 by Molmil](/molmil-images/mine/7b33) | MST3 in complex with MRIA11 | Descriptor: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-28 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B30
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![BU of 7b30 by Molmil](/molmil-images/mine/7b30) | MST3 in complex with compound G-5555 | Descriptor: | 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, Serine/threonine-protein kinase 24 | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-28 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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7B35
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![BU of 7b35 by Molmil](/molmil-images/mine/7b35) | MST3 in complex with compound MRIA13 | Descriptor: | 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-methoxy-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-28 | Release date: | 2020-12-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.40005136 Å) | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. J.Med.Chem., 64, 2021
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6RV2
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![BU of 6rv2 by Molmil](/molmil-images/mine/6rv2) | Crystal structure of the human two pore domain potassium ion channel TASK-1 (K2P3.1) in a closed conformation | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DECYL-BETA-D-MALTOPYRANOSIDE, ... | Authors: | Rodstrom, K.E.J, Pike, A.C.W, Zhang, W, Quigley, A, Speedman, D, Mukhopadhyay, S.M.M, Shrestha, L, Chalk, R, Venkaya, S, Bushell, S.R, Tessitore, A, Burgess-Brown, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-30 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A lower X-gate in TASK channels traps inhibitors within the vestibule. Nature, 582, 2020
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1N91
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![BU of 1n91 by Molmil](/molmil-images/mine/1n91) | Solution NMR Structure of Protein yggU from Escherichia coli. Northeast Structural Genomics Consortium Target ER14. | Descriptor: | orf, hypothetical protein | Authors: | Aramini, J.M, Xiao, R, Huang, Y.J, Acton, T.B, Wu, M.J, Mills, J.L, Tejero, R.T, Szyperski, T, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2002-11-21 | Release date: | 2003-01-14 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Resonance assignments for the hypothetical protein yggU from Escherichia coli. J.Biomol.Nmr, 27, 2003
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6SFI
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![BU of 6sfi by Molmil](/molmil-images/mine/6sfi) | Crystal structure of p38 alpha in complex with compound 75 (MCP33) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]-2-[[[1-(2-methylphenyl)pyrazol-4-yl]carbonylamino]methyl]-1,3-thiazole-5-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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6SFJ
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![BU of 6sfj by Molmil](/molmil-images/mine/6sfj) | Crystal structure of p38 alpha in complex with compound 77 (MCP41) | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-08-01 | Release date: | 2019-09-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors. J.Med.Chem., 62, 2019
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7AWD
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![BU of 7awd by Molmil](/molmil-images/mine/7awd) | Crystal structure of Peroxisome proliferator-activated receptor gamma (PPARG)in complex with garcinoic acid | Descriptor: | (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-11-06 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Endogenous vitamin E metabolites mediate allosteric PPAR gamma activation with unprecedented co-regulatory interactions. Cell Chem Biol, 28, 2021
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3NWZ
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![BU of 3nwz by Molmil](/molmil-images/mine/3nwz) | Crystal Structure of BH2602 protein from Bacillus halodurans with CoA, Northeast Structural Genomics Consortium Target BhR199 | Descriptor: | BH2602 protein, COENZYME A, SULFATE ION | Authors: | Kuzin, A, Su, M, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-07-12 | Release date: | 2010-09-08 | Last modified: | 2012-02-22 | Method: | X-RAY DIFFRACTION (2.566 Å) | Cite: | Northeast Structural Genomics Consortium Target BhR199 To be published
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6VDB
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![BU of 6vdb by Molmil](/molmil-images/mine/6vdb) | SETD2 in complex with a H3-variant super-substrate peptide | Descriptor: | ALA-PRO-ARG-PHE-GLY-GLY-VAL-MET-ARG-PRO-ASN-ARG, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Beldar, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Jeltsch, A, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-24 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sequence specificity analysis of the SETD2 protein lysine methyltransferase and discovery of a SETD2 super-substrate. Commun Biol, 3, 2020
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1ON0
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![BU of 1on0 by Molmil](/molmil-images/mine/1on0) | Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR144 | Descriptor: | CHLORIDE ION, SULFATE ION, YycN protein | Authors: | Forouhar, F, Shen, J, Kuzin, A, Chiang, Y, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-26 | Release date: | 2003-03-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis To be Published
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6YQN
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![BU of 6yqn by Molmil](/molmil-images/mine/6yqn) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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6PED
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![BU of 6ped by Molmil](/molmil-images/mine/6ped) | Crystal structure of HEMK2-TRMT112 complex | Descriptor: | Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-20 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of HEMK2-TRMT112 complex To Be Published
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6YQP
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![BU of 6yqp by Molmil](/molmil-images/mine/6yqp) | Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22 | Descriptor: | (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Joerger, A.C, Balourdas, D.I, Weiser, T, Chatterjee, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-04-17 | Release date: | 2020-05-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Int.J.Cancer, 147, 2020
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5C7M
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![BU of 5c7m by Molmil](/molmil-images/mine/5c7m) | CRYSTAL STRUCTURE OF E3 LIGASE ITCH WITH A UB VARIANT | Descriptor: | E3 ubiquitin-protein ligase Itchy homolog, Polyubiquitin-C | Authors: | Walker, J.R, Hu, J, Dong, A, Wernimont, A, Zhang, W, Sidhu, S, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2015-06-24 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes. Mol.Cell, 62, 2016
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6V41
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![BU of 6v41 by Molmil](/molmil-images/mine/6v41) | crystal structure of CDY1 chromodomain bound to H3K9me3 | Descriptor: | Histone H3.1 Peptide, Testis-specific chromodomain protein Y 1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-27 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6PDM
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![BU of 6pdm by Molmil](/molmil-images/mine/6pdm) | Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9) | Descriptor: | Protein arginine N-methyltransferase 9, UNKNOWN ATOM OR ION | Authors: | Halabelian, L, Tempel, W, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-19 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of Human Protein Arginine Methyltransferase 9 (PRMT9) To Be Published
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