9ZJQ
 
 | | Human KLK3 following acylation by CDD-3290 | | Descriptor: | 1,2-ETHANEDIOL, 1H-1,3-benzimidazole-5-carbaldehyde, Prostate-specific antigen | | Authors: | Fraser, B.J, Dong, A, Wilson, R, Seitova, A, Li, Y, Jimmidi, R, Chamakuri, S, Young, D, Matzuk, M, Arrowsmith, C.H. | | Deposit date: | 2025-12-05 | | Release date: | 2025-12-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human KLK3 following acylation by CDD-3290
To Be Published
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9YV4
 | | Crystal structure of the human DCAF1 WDR domain in complex with OICR-41109 | | Descriptor: | (4P)-4-(4-chloro-2-fluorophenyl)-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyanoethyl]-5-[(1E)-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, SODIUM ION, ... | | Authors: | Kimani, S, Dong, A, Li, Y, Seitova, A, Mamai, A, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-10-23 | | Release date: | 2025-11-26 | | Last modified: | 2025-12-03 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | OICR-41103 as a chemical probe for the DCAF1 WD40 domain.
Commun Biol, 8, 2025
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7HI8
 | | PanDDA analysis group deposition -- Crystal Structure of ground state model of human Brachyury | | Descriptor: | CADMIUM ION, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2024-09-20 | | Release date: | 2024-10-16 | | Last modified: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
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7HI9
 | | PanDDA analysis group deposition of ground-state model of human Brachyury G177D variant | | Descriptor: | SODIUM ION, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | | Deposit date: | 2024-09-20 | | Release date: | 2024-10-16 | | Last modified: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | PanDDA analysis group deposition of ground-state model
To Be Published
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9P1C
 | | Crystal structure of human TMPRSS11A S368A interacting with its own zymogen activation motif | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATE ION, Transmembrane protease serine 11A | | Authors: | Fraser, B.J, Dong, A, Hastings, K, Wilson, R.P, Seitova, A, Li, Y, Arrowsmith, C.H. | | Deposit date: | 2025-06-09 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structure of human TMPRSS11A S368A interacting with its own zymogen activation motif
To Be Published
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9MJG
 | | Crystal structure of HAT1 in complex with XS380871 | | Descriptor: | (4S,7R)-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(4-fluorophenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione, Histone acetyltransferase type B catalytic subunit | | Authors: | Zeng, H, Li, F, Wang, X, Sun, J, Dong, A, Peng, H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-12-15 | | Release date: | 2025-02-05 | | Last modified: | 2026-02-18 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Enantioselective protein affinity selection mass spectrometry (E-ASMS).
Nat Commun, 17, 2025
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9MK7
 | | Crystal structure of the WDR domain of WDR91 in complex with DR3634 | | Descriptor: | (1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile, UNKNOWN ATOM OR ION, WD repeat-containing protein 91 | | Authors: | Zeng, H, Ahmad, H, Dong, A, Seitova, A, Owen, D, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-12-16 | | Release date: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Crystal structure of the WDR domain of WDR91 in complex with DR3634
To be published
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7UFV
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766 | | Descriptor: | (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION | | Authors: | Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-03-23 | | Release date: | 2022-05-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
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8W3V
 | | Crystal structure of human WDR41 | | Descriptor: | WD repeat-containing protein 41 | | Authors: | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-02-22 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human WDR41
To be published
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1RYJ
 | | Solution NMR Structure of Protein Mth1743 from Methanobacterium thermoautotrophicum. Ontario Centre for Structural Proteomics target MTH1743_1_70; Northeast Structural Genomics Consortium Target TT526. | | Descriptor: | unknown | | Authors: | Yee, A, Chang, X, Pineda-Lucena, A, Wu, B, Semesi, A, Le, B, Ramelot, T, Lee, G.M, Bhattacharyya, S, Gutierrez, P, Denisov, A, Lee, C.H, Cort, J.R, Kozlov, G, Liao, J, Finak, G, Chen, L, Wishart, D, Lee, W, McIntosh, L.P, Gehring, K, Kennedy, M.A, Edwards, A.M, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2003-12-22 | | Release date: | 2004-02-24 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | AN NMR APPROACH TO STRUCTURAL PROTEOMICS
Proc.Natl.Acad.Sci.USA, 99, 2002
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1TVI
 | | Solution structure of TM1509 from Thermotoga maritima: VT1, a NESGC target protein | | Descriptor: | Hypothetical UPF0054 protein TM1509 | | Authors: | Penhoat, C.H, Atreya, H.S, Kim, S, Li, Z, Yee, A, Xiao, R, Murray, D, Arrowsmith, C.H, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-06-29 | | Release date: | 2005-01-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of Thermotoga maritima protein TM1509 reveals a Zn-metalloprotease-like tertiary structure.
J.STRUCT.FUNCT.GENOM., 6, 2005
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9E83
 | | TMPRSS2 crystal structure following acylation by UCSF_157 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-aminoethyl)benzoic acid, CITRIC ACID, ... | | Authors: | Fraser, B.J, Dong, A, Seitova, A, Li, Y, Hutchinson, A, Young, N, Bender, B, Gahbauer, S, Edwards, A, Shoichet, B, Craik, C, Arrowsmith, C.H. | | Deposit date: | 2024-11-04 | | Release date: | 2024-12-25 | | Last modified: | 2026-01-14 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Large Library Docking and Biophysical Analysis of Small-Molecule TMPRSS2 Inhibitors.
J.Med.Chem., 68, 2025
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3KCI
 | | The third RLD domain of HERC2 | | Descriptor: | Probable E3 ubiquitin-protein ligase HERC2 | | Authors: | Walker, J.R, Qiu, L, Vesterberg, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | | Deposit date: | 2009-10-21 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the Third RLD Domain of Herc2
To be Published
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9O0Y
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-[(2,3-dichlorophenyl)methyl]-3,5-difluoro-N-[(pyridin-3-yl)methyl]benzamide, ... | | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-04-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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9O0X
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)-3-(methylamino)pyridine-2-carboxylic acid, MAGNESIUM ION, ... | | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-04-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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9O0W
 | | Co-crystal structure of human TREX1 in complex with an inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 5-({N-[(2,3-dichlorophenyl)methyl]-3,5-difluorobenzamido}methyl)pyridine-2-carboxylic acid, MAGNESIUM ION, ... | | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-04-03 | | Release date: | 2025-05-21 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor
To be published
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9PLY
 | | Crystal structure of the human DCAF1 WDR domain in complex with OICR-40156 | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, 1,2-ETHANEDIOL, DDB1- and CUL4-associated factor 1, ... | | Authors: | Kimani, S, Dong, A, Li, Y, Seitova, A, Krausser, C, Wilson, B, Al-awar, R, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2025-07-16 | | Release date: | 2025-07-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of the human DCAF1 WDR domain in complex with OICR-40156
To be published
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8PTT
 | | Human NUDT5 in complex with MRK-952 | | Descriptor: | 6-[(5~{R})-7-[3-chloranyl-4-(trifluoromethyl)phenyl]-2,7-diazaspiro[4.4]nonan-2-yl]-7-methyl-purine, ADP-sugar pyrophosphatase, MAGNESIUM ION | | Authors: | Diaz-Saez, L, Koekemoer, L, Feyerherm, C, Sloman, S, Fischer, C, Schneider, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K.V.M. | | Deposit date: | 2023-07-14 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human NUDT5 in complex with MRK-952
To Be Published
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8BI5
 | | Crystal structure of human Choline Kinase A in complex with UNC0737 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-~{N}-methyl-~{N}-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-01 | | Release date: | 2023-11-15 | | Last modified: | 2026-03-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0737
To Be Published
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8BI6
 | | Crystal structure of human Choline Kinase A in complex with UNC0638 | | Descriptor: | 1,2-ETHANEDIOL, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, CHLORIDE ION, ... | | Authors: | Diaz-Saez, L, Ward, J, Kennedy, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Huber, K, Structural Genomics Consortium (SGC) | | Deposit date: | 2022-11-01 | | Release date: | 2023-11-15 | | Last modified: | 2026-03-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of human Choline Kinase A in complex with UNC0638
To Be Published
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1IQS
 | | Minimized average structure of MTH1880 from Methanobacterium Thermoautotrophicum | | Descriptor: | MTH1880 | | Authors: | Lee, C.H, Shin, J, Bang, E, Jung, J.W, Yee, A, Arrowsmith, C.H, Lee, W. | | Deposit date: | 2001-07-29 | | Release date: | 2002-07-29 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a novel calcium binding protein, MTH1880, from Methanobacterium thermoautotrophicum.
Protein Sci., 13, 2004
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1HV2
 | | SOLUTION STRUCTURE OF YEAST ELONGIN C IN COMPLEX WITH A VON HIPPEL-LINDAU PEPTIDE | | Descriptor: | ELONGIN C, VON HIPPEL-LINDAU DISEASE TUMOR SUPPRESSOR | | Authors: | Botuyan, M.V, Mer, G, Yi, G.-S, Koth, C.M, Case, D.A, Edwards, A.M, Chazin, W.J, Arrowsmith, C.H. | | Deposit date: | 2001-01-05 | | Release date: | 2001-09-06 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and dynamics of yeast elongin C in complex with a von Hippel-Lindau peptide.
J.Mol.Biol., 312, 2001
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1IQO
 | | Solution structure of MTH1880 from methanobacterium thermoautotrophicum | | Descriptor: | HYPOTHETICAL PROTEIN MTH1880 | | Authors: | Lee, C.H, Shin, J, Bang, E, Jung, J.W, Yee, A, Arrowsmith, C.H, Lee, W. | | Deposit date: | 2001-07-23 | | Release date: | 2002-07-24 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a novel calcium binding protein, MTH1880, from Methanobacterium thermoautotrophicum.
Protein Sci., 13, 2004
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6GYN
 | | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | | Authors: | Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-30 | | Release date: | 2019-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
To Be Published
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6GYO
 | | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoinositol, ... | | Authors: | Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-30 | | Release date: | 2019-05-01 | | Last modified: | 2025-12-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel
To Be Published
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