7SSE
 
 | | Crystal structure of the WDR domain of human DCAF1 in complex with CYCA-117-70 | | Descriptor: | DDB1- and CUL4-associated factor 1, N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-6-(morpholin-4-yl)pyrimidin-4-amine | | Authors: | Kimani, S, Owen, J, Li, A, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Shahani, V.M, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2021-11-10 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of a Novel DCAF1 Ligand Using a Drug-Target Interaction Prediction Model: Generalizing Machine Learning to New Drug Targets.
J.Chem.Inf.Model., 63, 2023
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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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1TGO
 | | THERMOSTABLE B TYPE DNA POLYMERASE FROM THERMOCOCCUS GORGONARIUS | | Descriptor: | PROTEIN (THERMOSTABLE B DNA POLYMERASE) | | Authors: | Hopfner, K.-P, Eichinger, A, Engh, R.A, Laue, F, Ankenbauer, W, Huber, R, Angerer, B. | | Deposit date: | 1999-02-23 | | Release date: | 1999-03-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a thermostable type B DNA polymerase from Thermococcus gorgonarius.
Proc.Natl.Acad.Sci.USA, 96, 1999
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4RLD
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3MAC
 | | crystal structure of GP41-derived protein complexed with fab 8062 | | Descriptor: | Fab8062, Transmembrane glycoprotein | | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | | Deposit date: | 2010-03-23 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
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3MA9
 | | Crystal structure of gp41 derived protein complexed with fab 8066 | | Descriptor: | Fab8066 FAB ANTIBODY FRAGMENT, Heavy Chain, Light Chain, ... | | Authors: | Li, M, Gustchina, E, Louis, J, Gustchina, A, Wlodawer, A, Clore, M. | | Deposit date: | 2010-03-23 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Basis of HIV-1 Neutralization by Affinity Matured Fabs Directed against the Internal Trimeric Coiled-Coil of gp41.
Plos Pathog., 6, 2010
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4RZ0
 | | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c | | Descriptor: | PFL0690c, UNKNOWN ATOM OR ION | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Ravichandran, M, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, Lin, Y.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-17 | | Release date: | 2015-01-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.487 Å) | | Cite: | Crystal Structure of Plasmodium falciparum putative histone methyltransferase PFL0690c
To be Published
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4RZ7
 | | Crystal Structure of PVX_084705 with bound PCI32765 | | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, UNKNOWN ATOM OR ION, cGMP-dependent protein kinase, ... | | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, He, H, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2014-12-18 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.351 Å) | | Cite: | Crystal Structure of PVX_084705 with bound PCI32765
To be Published
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6OGN
 | | Crystal structure of mouse protein arginine methyltransferase 7 in complex with SGC8158 chemical probe | | Descriptor: | 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine, Protein arginine N-methyltransferase 7, UNKNOWN ATOM OR ION, ... | | Authors: | Halabelian, L, Dong, A, Zeng, H, Li, Y, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-04-03 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Pharmacological inhibition of PRMT7 links arginine monomethylation to the cellular stress response.
Nat Commun, 11, 2020
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6MUH
 | | Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography | | Descriptor: | Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-23 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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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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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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6CVZ
 | | Crystal structure of the WD40-repeat of RFWD3 | | Descriptor: | E3 ubiquitin-protein ligase RFWD3, MAGNESIUM ION | | Authors: | DONG, A, LOPPNAU, P, SEITOVA, A, HUTCHINSON, A, TEMPEL, W, WEI, Y, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, TONG, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-03-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Target highlights in CASP13: Experimental target structures through the eyes of their authors.
Proteins, 87, 2019
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6DVR
 | | Crystal structure of human CARM1 with (R)-SKI-72 | | Descriptor: | (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name), 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Dong, A, Zeng, H, Hutchinson, A, Seitova, A, Luo, M, Cai, X.C, Ke, W, Wang, J, Shi, C, Zheng, W, Lee, J.P, Ibanez, G, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-06-25 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of human CARM1 with (R)-SKI-72
to be published
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8B50
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6FIV
 | | STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR | | Descriptor: | RETROPEPSIN, SULFATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A. | | Deposit date: | 1998-12-02 | | Release date: | 1998-12-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
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4KHT
 | | Triple helix bundle of GP41 complexed with fab 8066 | | Descriptor: | 8066 heavy chain, 8066 light chain, Gp41 helix | | Authors: | Li, M, Gustchina, A, Wlodawer, A. | | Deposit date: | 2013-05-01 | | Release date: | 2014-03-12 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.817 Å) | | Cite: | Complexes of neutralizing and non-neutralizing affinity matured Fabs with a mimetic of the internal trimeric coiled-coil of HIV-1 gp41.
Plos One, 8, 2013
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4KHX
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6DWU
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6GR0
 | | Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin | | Descriptor: | 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid, GALLIUM (III) ION, Neutrophil gelatinase-associated lipocalin | | Authors: | Skerra, A, Eichinger, A. | | Deposit date: | 2018-06-08 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
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6DWF
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6ZVF
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6GQZ
 | | Petrobactin-binding engineered lipocalin without ligand | | Descriptor: | Neutrophil gelatinase-associated lipocalin | | Authors: | Skerra, A, Eichinger, A. | | Deposit date: | 2018-06-08 | | Release date: | 2018-08-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Reprogramming Human Siderocalin To Neutralize Petrobactin, the Essential Iron Scavenger of Anthrax Bacillus.
Angew. Chem. Int. Ed. Engl., 57, 2018
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5MHH
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1NLU
 | | Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin | | Descriptor: | CALCIUM ION, PSEUDO-IODOTYROSTATIN, SEDOLISIN | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Glodfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2003-01-07 | | Release date: | 2004-01-20 | | Last modified: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Two inhibitor molecules bound in the active site of Pseudomonas sedolisin: a model for the bi-product complex following cleavage of a peptide substrate.
Biochem.Biophys.Res.Commun., 314, 2004
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