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6ASD
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BU of 6asd by Molmil
Zinc finger region of human TET1 in complex with CpG DNA
Descriptor: DNA (5'-D(*GP*CP*CP*AP*CP*CP*GP*GP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase TET1, UNKNOWN ATOM OR ION, ...
Authors:Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-24
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
3BO7
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BU of 3bo7 by Molmil
Crystal structure of Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, 541.m00136
Descriptor: 1,2-ETHANEDIOL, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYCLOPHILIN-TYPE, ...
Authors:Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
Deposit date:2007-12-17
Release date:2008-02-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of Toxoplasma Gondii Peptidyl-Prolyl Cis-Trans Isomerase, 541.M00136.
To be Published
8QEN
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BU of 8qen by Molmil
cryo-EM structure of apo Clostridioides difficile toxin B
Descriptor: Toxin B, ZINC ION
Authors:Kinsolving, J, Bous, J, Structural Genomics Consortium (SGC)
Deposit date:2023-09-01
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional insight into the interaction of Clostridioides difficile toxin B and FZD 7.
Cell Rep, 43, 2024
7P7F
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BU of 7p7f by Molmil
Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 1
Descriptor: 1,2-ETHANEDIOL, ADENOSINE, ADENOSINE MONOPHOSPHATE, ...
Authors:Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-19
Release date:2022-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes.
Mol.Cell, 82, 2022
7P7G
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BU of 7p7g by Molmil
Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, CITRIC ACID, ...
Authors:Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-19
Release date:2022-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes.
Mol.Cell, 82, 2022
7P7H
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BU of 7p7h by Molmil
Crystal structure of Casein Kinase I delta (CK1d) with alphaG-in conformation
Descriptor: ADENOSINE MONOPHOSPHATE, Casein kinase I isoform delta
Authors:Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-07-19
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes.
Mol.Cell, 82, 2022
2QNW
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BU of 2qnw by Molmil
Toxoplasma gondii apicoplast-targeted acyl carrier protein
Descriptor: Acyl carrier protein, SODIUM ION, SULFATE ION, ...
Authors:Lunin, V.V, Wernimont, A, Lew, J, Qiu, W, Lin, L, Hassanali, A, Kozieradzki, I, Zhao, Y, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A, Hui, R, Brokx, S, Structural Genomics Consortium (SGC)
Deposit date:2007-07-19
Release date:2007-07-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Toxoplasma gondii apicoplast-targeted acyl carrier protein.
To be Published
2QG8
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BU of 2qg8 by Molmil
Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Acyl Carrier Protein Synthase PY06285, MAGNESIUM ION
Authors:Lunin, V.V, Wernimont, A.K, Lew, J, Wasney, G, Kozieradzki, I, Vedadi, M, Bochkarev, A, Arrowsmith, C.H, Sundstrom, M, Weigelt, J, Edwards, A.E, Hui, R, Brokx, S, Altamentova, S, Structural Genomics Consortium (SGC)
Deposit date:2007-06-28
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Plasmodium yoelii acyl carrier protein synthase PY06285 with ADP bound
TO BE PUBLISHED
7Q2J
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BU of 7q2j by Molmil
Quaternary Complex of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC Homer
Descriptor: Elongin-B, Elongin-C, N-[5-[4-[[5-[[(2S)-3,3-dimethyl-1-[(2S,4R)-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]-4-oxidanyl-pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentyl]carbamoyl]phenyl]-2-(4-methylpiperazin-1-yl)phenyl]-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridine-3-carboxamide, ...
Authors:Kraemer, A, Doelle, A, Schwalm, M.P, Adhikari, B, Wolf, E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2021-10-25
Release date:2021-11-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 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
8P9E
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BU of 8p9e by Molmil
Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
Descriptor: Darpin 1810 F11, GLYCEROL, Isoform 2 of 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 (2.25 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
4DYO
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BU of 4dyo by Molmil
Crystal Structure of Human Aspartyl Aminopeptidase (DNPEP) in complex with Aspartic acid Hydroxamate
Descriptor: Aspartyl aminopeptidase, GLYCEROL, MAGNESIUM ION, ...
Authors:Chaikuad, A, Pilka, E, Vollmar, M, Krojer, T, Muniz, J.R.C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2012-02-29
Release date:2012-03-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of human aspartyl aminopeptidase complexed with substrate analogue: insight into catalytic mechanism, substrate specificity and M18 peptidase family.
Bmc Struct.Biol., 12, 2012
3BFX
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BU of 3bfx by Molmil
Crystal structure of human sulfotransferase SULT1C1 in complex with PAP
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase 1C2
Authors:Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2007-11-23
Release date:2007-12-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Human Sulfotransferases Sult1B1 and Sult1C1 Complexed with the Cofactor Product Adenosine-3'-5'-Diphosphate (Pap).
Proteins, 64, 2006
3KKA
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BU of 3kka by Molmil
Co-crystal structure of the sam domains of EPHA1 AND EPHA2
Descriptor: CHLORIDE ION, EPHRIN TYPE-A RECEPTOR 1, EPHRIN TYPE-A RECEPTOR 2
Authors:Walker, J.R, Yermekbayeva, L, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2009-11-05
Release date:2009-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Co-Crystal Structure of the SAM Domains of Human Ephrin Type-A Receptor 1 and Human Ephrin Type-A Receptor 2
To be Published
3C0Z
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BU of 3c0z by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7 in complex with SAHA
Descriptor: Histone deacetylase 7a, OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE, POTASSIUM ION, ...
Authors:Min, J, Schuetz, A, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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
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
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
3C0Y
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BU of 3c0y by Molmil
Crystal structure of catalytic domain of human histone deacetylase HDAC7
Descriptor: Histone deacetylase 7a, POTASSIUM ION, ZINC ION
Authors:Min, J.R, Schuetz, A, Allali-Hassani, A, Loppnau, P, Kwiatkowski, N.P, Mazitschek, R, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2008-01-21
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
3BLJ
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BU of 3blj by Molmil
Crystal structure of human poly(ADP-ribose) polymerase 15, catalytic fragment
Descriptor: CHLORIDE ION, GLYCEROL, Poly(ADP-ribose) polymerase 15, ...
Authors:Karlberg, T, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Welin, M, Weigelt, J, Structural Genomics Consortium (SGC)
Deposit date:2007-12-11
Release date:2007-12-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Lack of ADP-ribosyltransferase Activity in Poly(ADP-ribose) Polymerase-13/Zinc Finger Antiviral Protein.
J.Biol.Chem., 290, 2015
6HT1
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BU of 6ht1 by Molmil
Crystal structure of MLLT1 (ENL) YEATS domain in complexed with SGC-iMLLT (compound 92)
Descriptor: 1,2-ETHANEDIOL, 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide, Protein ENL, ...
Authors:Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-10-02
Release date:2018-10-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of an MLLT1/3 YEATS Domain Chemical Probe.
Angew. Chem. Int. Ed. Engl., 57, 2018
4D86
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BU of 4d86 by Molmil
Human PARP14 (ARTD8, BAL2) - macro domains 1 and 2 in complex with adenosine-5-diphosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Poly [ADP-ribose] polymerase 14
Authors:Karlberg, T, Thorsell, A.G, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Ekblad, T, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2012-01-10
Release date:2013-03-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
5O2C
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BU of 5o2c by Molmil
Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Serine/threonine-protein kinase WNK3
Authors:Bartual, S.G, Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
To Be Published
5O23
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BU of 5o23 by Molmil
Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Serine/threonine-protein kinase WNK3
Authors:Pinkas, D.M, Bufton, J.C, Kupinska, K, Wang, D, Sethi, R, Newman, J.A, Chalk, R, Berridge, G, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2017-05-19
Release date:2017-06-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
To Be Published
5LZK
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BU of 5lzk by Molmil
Structure of the domain of unknown function DUF1669 from human FAM83B
Descriptor: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B
Authors:Pinkas, D.M, Bufton, J.C, Williams, E.P, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2016-09-29
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.575 Å)
Cite:Structure of the domain of unknown function DUF1669 from human FAM83B
To Be Published
5OC9
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BU of 5oc9 by Molmil
Crystal Structure of human TMEM16K / Anoctamin 10
Descriptor: (2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate, Anoctamin-10, CALCIUM ION
Authors:Bushell, S.R, Pike, A.C.W, Chu, A, Tessitore, A, Rotty, B, Mukhopadhyay, S, Kupinska, K, Shrestha, L, Borkowska, O, Chalk, R, Burgess-Brown, N.A, Love, J, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2017-06-29
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K.
Nat Commun, 10, 2019

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