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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
8T55
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BU of 8t55 by Molmil
Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
Descriptor: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
Authors:Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-12
Release date:2023-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
To be published
8QZD
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BU of 8qzd by Molmil
Soluble epoxide hydrolase in complex with Epoxykinin
Descriptor: 1,2-ETHANEDIOL, 2-[5-bromanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]indol-1-yl]-N-cycloheptyl-ethanamide, BROMIDE ION, ...
Authors:Kumar, A, Ehrler, J.M.H, Ziegler, S, Doetsch, L, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-27
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Soluble epoxide hydrolase in complex with Epoxykinin
To Be Published
8V1F
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TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2023-11-20
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol
To Be Published
8PM3
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BU of 8pm3 by Molmil
Crystal structure of MAP2K6 with a covalent compound GCL94
Descriptor: Dual specificity mitogen-activated protein kinase kinase 6, ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
Authors:Wang, G.Q, Seidler, N, Roehm, S, Gehringer, M, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-06-28
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of MAP2K6 with a covalent compound GCL94
To Be Published
8QQY
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BU of 8qqy by Molmil
Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
Descriptor: 1,2-ETHANEDIOL, 6-(4-fluoranyl-3-methoxy-phenyl)-13$l^{6}-thia-2,4,8,12,19-pentazatricyclo[12.3.1.1^{3,7}]nonadeca-1(18),3,5,7(19),14,16-hexaene 13,13-dioxide, Ephrin type-A receptor 2
Authors:Zhubi, R, Gerninghaus, J, Knapp, S, Kraemer, A, Structural Genomics Consortium (SGC)
Deposit date:2023-10-06
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Ephrin type-A receptor 2 (EPHA2) Kinase domain in complex with JG165
To Be Published
8QWZ
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BU of 8qwz by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
Descriptor: 4-[6-(6-propan-2-yloxyindol-1-yl)pyrazin-2-yl]benzoic acid, Casein kinase II subunit alpha, SULFATE ION
Authors:Kraemer, A, Galal, K, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-10-20
Release date:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 4-(6-(6-isopropoxy-1H-indol-1-yl)pyrazin-2-yl)benzoic acid
To Be Published
8DYS
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BU of 8dys by Molmil
Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
Descriptor: 1,2-ETHANEDIOL, Eukaryotic translation initiation factor 2A, GLYCEROL, ...
Authors:Righetto, G.L, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-08-05
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human Eukaryotic translation initiation factor 2A (eIF2A)
To Be Published
8EM8
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BU of 8em8 by Molmil
Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
Descriptor: UNKNOWN ATOM OR ION, [(3R)-3-{[(4M)-4-(4-cyclopropyl-2-phenyl-1H-imidazol-1-yl)pyrimidin-2-yl]amino}pyrrolidin-1-yl](1,3-thiazol-2-yl)methanone, cGMP-dependent protein kinase, ...
Authors:Hutchinson, A, Dong, A, Seitova, A, Bhanot, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-09-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Co-crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum in complex with RY-1-165
To Be Published
8FBH
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BU of 8fbh by Molmil
Crystal structure of NSD1 Mutant-T1927A
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 specific, S-ADENOSYLMETHIONINE, ...
Authors:Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2022-11-29
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal structure of NSD1
To Be Published
8FBG
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Crystal structure of NSD1 Mutant-Y1869C
Descriptor: CALCIUM ION, Histone-lysine N-methyltransferase, H3 lysine-36 specific, ...
Authors:Providokhina, K, Dong, A, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2022-11-29
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of NSD1
To Be Published
7T39
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BU of 7t39 by Molmil
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
7YXY
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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
7U9I
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BU of 7u9i by Molmil
Co-crystal structure of human CARM1 in complex with MT556 inhibitor
Descriptor: 7-[5-S-(4-{[(4-ethylpyridin-3-yl)methyl]amino}butyl)-5-thio-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Zeng, H, Perveen, S, Dong, A, Hutchinson, A, Seitova, A, Gibson, E, Hajian, T, Li, Y, Gao, Y.D, Schneider, S, Siliphaivanh, P, Sloman, D, Nicholson, B, Fischer, C, Hicks, J, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-03-10
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystal structure of human CARM1 in complex with MT556 inhibitor
To Be Published
7UW7
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BU of 7uw7 by Molmil
Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Isoform 2 of E3 ubiquitin-protein ligase TRIP12, UNKNOWN ATOM OR ION
Authors:Kimani, S, Dong, A, Li, Y, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-05-02
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal structure of the Human TRIP12 WWE domain (isoform 2) in complex with ADP
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
7UVE
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BU of 7uve by Molmil
Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
Descriptor: Histone-lysine N-methyltransferase eggless, peptide H3K9me2K14ac
Authors:Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2022-05-01
Release date:2022-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac
To Be Published
8EOM
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BU of 8eom by Molmil
TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
Descriptor: 4-(4-methylpiperazine-1-sulfonyl)benzamide, SULFATE ION, TP53-binding protein 1, ...
Authors:The, J, Hong, Z, Headey, S, Gunzburg, M, Doak, B, James, L.I, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2022-10-03
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:TUDOR DOMAIN OF TUMOR SUPPRESSOR P53BP1 WITH MFP-5973
to be published
8F0W
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BU of 8f0w by Molmil
Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
Descriptor: 1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]butan-1-one, TP53-binding protein 1, UNKNOWN ATOM OR ION
Authors:The, J, Hong, Z, Dong, A, Headey, S, Gunzburg, M, Doak, B, James, L.I, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2022-11-04
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Tudor Domain of Tumor suppressor p53BP1 with MFP-5956
to be published
7UW8
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Drosophila melanogaster setdb1-tuor domain
Descriptor: Histone-lysine N-methyltransferase eggless
Authors:Zhou, M, Dong, A, Liu, K, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2022-05-03
Release date:2022-08-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Drosophila melanogaster setdb1-tuor domain
To Be Published
8UWP
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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
8T5I
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Crystal structure of human WDR5 in complex with MR4397
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide, ...
Authors:Kimani, S, Dong, A, Li, F, Loppnau, P, Ackloo, S, Vedadi, M, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-06-13
Release date:2023-08-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human WDR5 in complex with MR4397
To be published
8P08
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Crystal structure of human CLK1 in complex with Leucettinib-21
Descriptor: (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1
Authors:Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-05-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human CLK1 bound in complex with Leucettinib-21
To Be Published
8R5D
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BU of 8r5d by Molmil
Crystal structure of human TRIM7 PRYSPRY domain
Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM7, MALONIC ACID
Authors:Munoz Sosa, C.J, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-11-16
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human TRIM7 PRYSPRY domain
To Be Published

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PDB entries from 2024-03-27

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