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4LZ2
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BU of 4lz2 by Molmil
Crystal structure of the bromodomain of human BAZ2A
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, MAGNESIUM ION
Authors:Tallant, C, Nunez-Alonso, G, Picaud, S, Filippakopoulos, P, Krojer, T, Bradley, A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2013-07-31
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Molecular basis of histone tail recognition by human TIP5 PHD finger and bromodomain of the chromatin remodeling complex NoRC.
Structure, 23, 2015
2R2Q
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BU of 2r2q by Molmil
Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 1, UNKNOWN ATOM OR ION
Authors:Tempel, W, Paramanathan, R, Davis, T, Mujib, S, Butler-Cole, C, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2007-08-27
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of human Gamma-Aminobutyric Acid Receptor-Associated Protein-like 1 (GABARAP1), Isoform CRA_a.
To be Published
7OR1
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BU of 7or1 by Molmil
Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Grieben, M, Pike, A.C.W, Saward, B.G, Wang, D, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Schofield, C.J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2021-06-04
Release date:2022-06-22
Method:ELECTRON MICROSCOPY (2.64 Å)
Cite:Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60
TO BE PUBLISHED
3L4I
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BU of 3l4i by Molmil
CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC)
Deposit date:2009-12-20
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate
To be Published
7P4E
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BU of 7p4e by Molmil
Crystal structure of PPARgamma in complex with compound FL217
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma, SULFATE ION, ...
Authors:Ni, X, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
3L19
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BU of 3l19 by Molmil
Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
Descriptor: CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ...
Authors:Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-12-11
Release date:2009-12-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of calcium binding domain of CpCDPK3, cgd5_820
To be Published
7P4K
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BU of 7p4k by Molmil
Soluble epoxide hydrolase in complex with FL217
Descriptor: Bifunctional epoxide hydrolase 2, ~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Authors:Ni, X, Kramer, J.S, Lillich, F, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-11
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Based Design of Dual Partial Peroxisome Proliferator-Activated Receptor gamma Agonists/Soluble Epoxide Hydrolase Inhibitors.
J.Med.Chem., 64, 2021
3L46
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BU of 3l46 by Molmil
Crystal structure of the second BRCT domain of epithelial cell transforming 2 (ECT2)
Descriptor: Protein ECT2, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Wang, H, Guan, X, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Crystal structure of the second BRCT domain of epithelial cell transforming 2 (ECT2)
to be published
2Q9V
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BU of 2q9v by Molmil
Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1
Authors:Pilka, E.S, Hozjan, V, Kavanagh, K.L, Papagrigoriou, E, Cooper, C, Elkins, J.M, Doyle, D.A, von Delft, F, Sundstrom, M, Arrowsmith, C.A, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-06-14
Release date:2007-06-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the C890S mutant of the 4th PDZ domain of human membrane associated guanylate kinase.
To be Published
3LML
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BU of 3lml by Molmil
Crystal Structure of the sheath tail protein Lin1278 from Listeria innocua, Northeast Structural Genomics Consortium Target LkR115
Descriptor: Lin1278 protein
Authors:Forouhar, F, Neely, H, Seetharaman, J, Mao, M, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-03-09
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Northeast Structural Genomics Consortium Target LkR115
To be Published
3KUZ
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BU of 3kuz by Molmil
Crystal structure of the ubiquitin like domain of PLXNC1
Descriptor: Plexin-C1, UNKNOWN ATOM OR ION
Authors:Wang, H, Li, B, Tempel, W, Tong, Y, Guan, X, Zhong, N, Crombet, L, MacKenzie, F, Buck, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-28
Release date:2009-12-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the ubiquitin like domain of PLXNC1
to be published
3LMF
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BU of 3lmf by Molmil
Crystal Structure of Nmul_A1745 protein from Nitrosospira multiformis, Northeast Structural Genomics Consortium Target NmR72
Descriptor: Uncharacterized protein
Authors:Forouhar, F, Lew, S, 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:2010-01-29
Release date:2010-02-16
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Northeast Structural Genomics Consortium Target NmR72
To be Published
3LMM
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BU of 3lmm by Molmil
Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35
Descriptor: CHLORIDE ION, COBALT (II) ION, Uncharacterized protein
Authors:Forouhar, F, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Buchwald, W.A, Maglaqui, M, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-31
Release date:2010-02-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Northeast Structural Genomics Consortium Target CdR35
To be Published
7NCF
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BU of 7ncf by Molmil
Crystal structure of HIPK2 in complex with MU135 (compound 21e)
Descriptor: 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine, Homeodomain-interacting protein kinase 2
Authors:Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-01-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core.
Eur.J.Med.Chem., 215, 2021
4WSQ
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BU of 4wsq by Molmil
Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, AP2-associated protein kinase 1, K-252A, ...
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Abdul, K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-10-28
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
8C13
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BU of 8c13 by Molmil
Crystal structure of pVHL:ElonginC:ElonginB complex bound to PROTAC JW48
Descriptor: (2~{S},4~{R})-1-[(2~{S})-2-[3-[2-[2-[2-(acetamidomethyl)-4-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenoxy]ethoxy]ethoxy]propanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ...
Authors:Kraemer, A, Weckesser, J, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-12-20
Release date:2022-12-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tracking the PROTAC degradation pathway in living cells highlights the importance of ternary complex measurement for PROTAC optimization.
Cell Chem Biol, 30, 2023
3MFB
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BU of 3mfb by Molmil
Crystal Structure of the S-type Pyocin domain of ECA1669 protein from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR82C
Descriptor: Uncharacterized protein
Authors:Forouhar, F, Neely, H, 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:2010-04-01
Release date:2010-04-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Northeast Structural Genomics Consortium Target EwR82C
To be Published
7N8L
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BU of 7n8l by Molmil
PptT PAP(CoA) 9016 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-15
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
3MEL
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BU of 3mel by Molmil
Crystal Structure of Thiamin pyrophosphokinase family protein from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR150
Descriptor: MAGNESIUM ION, PHOSPHATE ION, THIAMINE DIPHOSPHATE, ...
Authors:Kuzin, A, Abasidze, M, Seetharaman, J, Mao, M, Xiao, R, Ciccosanti, C, Foote, E.L, Maglaqui, M, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-31
Release date:2010-05-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.788 Å)
Cite:Northeast Structural Genomics Consortium Target EfR150
To be Published
7N8E
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BU of 7n8e by Molmil
PptT PAP(CoA) 9056 complex
Descriptor: 4'-phosphopantetheinyl transferase PptT, COENZYME A, DIMETHYL SULFOXIDE, ...
Authors:Mosior, J.W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-06-14
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In Vitro and In Vivo Inhibition of the Mycobacterium tuberculosis Phosphopantetheinyl Transferase PptT by Amidinoureas.
J.Med.Chem., 65, 2022
8P9D
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BU of 8p9d by Molmil
Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 A2
Descriptor: Darpin 1810 A2, Tumor protein 63, Tumor protein p73
Authors:Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-05
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
8P9C
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BU of 8p9c by Molmil
Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
Descriptor: 1,2-ETHANEDIOL, Darpin 1810 F11, Tumor protein 63, ...
Authors:Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-05
Release date:2023-11-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
3MER
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BU of 3mer by Molmil
Crystal Structure of the methyltransferase Slr1183 from Synechocystis sp. PCC 6803, Northeast Structural Genomics Consortium Target SgR145
Descriptor: Slr1183 protein
Authors:Seetharaman, J, Chen, Y, Forouhar, F, Rossi, P, Sahdev, S, Xiao, R, Ciccosanti, C, Foote, E.L, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-31
Release date:2010-04-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Northeast Structural Genomics Consortium Target SgR145
To be Published
7OAK
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BU of 7oak by Molmil
Crystal structure of pseudokinase CASK in complex with compound 26
Descriptor: 1,2-ETHANEDIOL, 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
Authors:Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-04-19
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
7OAJ
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BU of 7oaj by Molmil
Crystal structure of pseudokinase CASK in complex with compound 7
Descriptor: 1,2-ETHANEDIOL, 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK
Authors:Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-04-19
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021

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