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8SKD
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BU of 8skd by Molmil
Solution Structure of the model miniprotein EEHEE_rd4_0871
Descriptor: Miniprotein EEHEE_rd4_0871
Authors:Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
Deposit date:2023-04-19
Release date:2024-04-24
Method:SOLUTION NMR
Cite:Solution Structure of the model miniprotein EEHEE_rd4_0871
To Be Published
8SKE
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BU of 8ske by Molmil
Solution structure of the model miniprotein EEHEE_rd4_0642
Descriptor: Miniprotein EEHEE_rd4_0642
Authors:Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
Deposit date:2023-04-19
Release date:2024-04-24
Method:SOLID-STATE NMR
Cite:Solution structure of the model miniprotein EEHEE_rd4_0642
To Be Published
8SKX
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BU of 8skx by Molmil
Solution structure of the model miniprotein HHH_rd4_0518
Descriptor: Miniprotein HHH_rd4_0518
Authors:Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
Deposit date:2023-04-20
Release date:2024-04-24
Method:SOLUTION NMR
Cite:Solution structure of the model miniprotein HHH_rd4_0518
To Be Published
8SHB
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BU of 8shb by Molmil
Crystal Structure of PRMT3 with Compound YD1-208
Descriptor: 5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-13
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal Structure of PRMT3 with Compound YD1-208
To be published
8SIG
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BU of 8sig by Molmil
Crystal Structure of PRMT4 with Compound YD1-288
Descriptor: 5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, SODIUM ION, ...
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Structure of PRMT4 with Compound YD1-288
To be published
8SIH
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BU of 8sih by Molmil
Crystal Structure of PRMT4 with Compound YD1-289
Descriptor: 5'-{[2-(benzylcarbamamido)ethyl][3-(N'-cyclopentylcarbamimidamido)propyl]amino}-5'-deoxyadenosine, CALCIUM ION, Histone-arginine methyltransferase CARM1
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of PRMT4 with Compound YD1-289
To be published
4UUC
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BU of 4uuc by Molmil
Crystal structure of human ASB11 ankyrin repeat domain
Descriptor: ANKYRIN REPEAT AND SOCS BOX PROTEIN 11
Authors:Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A.
Deposit date:2014-07-25
Release date:2014-08-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
4UY4
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BU of 4uy4 by Molmil
1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide
Descriptor: GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4
Authors:Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U.
Deposit date:2014-08-28
Release date:2014-09-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.862 Å)
Cite:1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
7YXX
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BU of 7yxx by Molmil
Cryo-EM structure of USP9X
Descriptor: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
Authors:Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2022-02-16
Release date:2022-03-02
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structure of USP9X
To Be Published
7YXY
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BU of 7yxy by Molmil
Cryo-EM structure of USP9X, local refinement of monomer
Descriptor: Probable ubiquitin carboxyl-terminal hydrolase FAF-X
Authors:Deme, J.C, Halabelian, L, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2022-02-16
Release date:2022-03-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of USP9X
To Be Published
8SHM
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BU of 8shm by Molmil
The solution structure of the mini-protein EHEE_rd2_0005
Descriptor: Mini-protein EHEE_rd2_0005
Authors:Houliston, S, Rocklin, G, Arrowsmith, C.H.
Deposit date:2023-04-14
Release date:2024-04-17
Method:SOLUTION NMR
Cite:The solution structure of the mini-protein EHEE_rd2_0005
To Be Published
8SAH
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BU of 8sah by Molmil
Huntingtin C-HEAT domain in complex with HAP40
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Harding, R.J, Deme, J.C, Alteen, M.G, Arrowsmith, C.H, Lea, S.M, Structural Genomics Consortium (SGC)
Deposit date:2023-03-31
Release date:2023-04-26
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Delineation of functional subdomains of Huntingtin protein and their interaction with HAP40.
Structure, 31, 2023
8DOA
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BU of 8doa by Molmil
Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)
Descriptor: HEEH mini-protein TK_rd5_0958
Authors:Houliston, S, Kim, T.-E, Rocklin, G, Arrowsmith, C.H.
Deposit date:2022-07-12
Release date:2022-10-05
Last modified:2022-10-19
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7LQT
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BU of 7lqt by Molmil
Solution NMR structure of the PNUTS amino-terminal Domain fused to Myc Homology Box 0
Descriptor: Serine/threonine-protein phosphatase 1 regulatory subunit 10,Myc proto-oncogene protein fusion
Authors:Lemak, A, Wei, Y, Duan, S, Houliston, S, Penn, L.Z, Arrowsmith, C.H.
Deposit date:2021-02-15
Release date:2021-03-03
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:The MYC oncoprotein directly interacts with its chromatin cofactor PNUTS to recruit PP1 phosphatase.
Nucleic Acids Res., 50, 2022
7MEQ
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BU of 7meq by Molmil
Crystal structure of human TMPRSS2 in complex with Nafamostat
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Transmembrane protease serine 2, ...
Authors:Fraser, B, Beldar, S, Hutchinson, A, Li, Y, Seitova, A, Edwards, A.M, Benard, F, Arrowsmith, C.H, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2021-04-07
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and activity of human TMPRSS2 protease implicated in SARS-CoV-2 activation.
Nat.Chem.Biol., 18, 2022
7T2F
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BU of 7t2f by Molmil
Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341
Descriptor: HEEH mini protein HEEH_TK_rd5_0341
Authors:Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H.
Deposit date:2021-12-04
Release date:2022-10-05
Last modified:2022-10-19
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UGC
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BU of 7ugc by Molmil
Structure of the N-terminal domain of ViaA
Descriptor: Protein ViaA
Authors:Lemak, A, Reichheld, S, Bhandari, V, Houliston, S, Arrowsmith, C.H, Sharpe, S, Houry, W.A.
Deposit date:2022-03-24
Release date:2023-03-29
Method:SOLUTION NMR
Cite:Structure of the N-terminal domain of ViaA
To Be Published
8G45
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BU of 8g45 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe
Descriptor: 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G43
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BU of 8g43 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Descriptor: 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8G44
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BU of 8g44 by Molmil
Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid
Descriptor: 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION
Authors:Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2023-02-08
Release date:2023-05-03
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6.
J.Med.Chem., 66, 2023
8W3V
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BU of 8w3v by Molmil
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
8SP6
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BU of 8sp6 by Molmil
COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
Descriptor: (1s,4s)-bicyclo[2.2.1]heptane, (5R0)FAL(MLZ)(5R5), Chromodomain Y-like protein 2, ...
Authors:Song, X, Beldar, S, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-05-02
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:COMPLEX STRUCTURE OF CDYL2 WITH AN ANTAGONIST
To be published
8SHR
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BU of 8shr by Molmil
Crystal Structure of PRMT3 with Compound YD1-214
Descriptor: 5'-S-[2-(phenylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-04-14
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of PRMT3 with Compound YD1-214
To be published
8SIO
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BU of 8sio by Molmil
Crystal structure of PRMT3 with YD1-66
Descriptor: 5'-S-{3-[N'-(4'-chloro[1,1'-biphenyl]-3-yl)carbamimidamido]propyl}-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of PRMT3 with YD1-66
To be published
8UWP
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BU of 8uwp by Molmil
Crystal structure of SETDB1 Tudor domain in complex with MR46747
Descriptor: (3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ...
Authors:Shrestha, S, Beldar, S, Dong, A, Ackloo, S, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-11-07
Release date:2023-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of SETDB1 Tudor domain in complex with MR46747
To be published

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