5FUP
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![BU of 5fup by Molmil](/molmil-images/mine/5fup) | Crystal structure of human JARID1B in complex with 2-oxoglutarate. | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-01-28 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2JKV
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![BU of 2jkv by Molmil](/molmil-images/mine/2jkv) | Structure of human Phosphogluconate Dehydrogenase in complex with NADPH at 2.53A | Descriptor: | 6-PHOSPHOGLUCONATE DEHYDROGENASE, DECARBOXYLATING, CHLORIDE ION, ... | Authors: | Pilka, E.S, Kavanagh, K.L, von Delft, F, Muniz, J.R.C, Murray, J, Picaud, S, Guo, K, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2008-09-01 | Release date: | 2009-09-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.532 Å) | Cite: | Structure of Human Phosphogluconate Dehydrogenase in Complex with Nadph at 2.53A To be Published
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5FWJ
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![BU of 5fwj by Molmil](/molmil-images/mine/5fwj) | Crystal structure of human JARID1C in complex with KDM5-C49 | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, HISTONE DEMETHYLASE JARID1C, MAGNESIUM ION, ... | Authors: | Srikannathasan, V, Szykowska, A, Strain-Damerell, C, Kopec, J, Nowak, R, Gileadi, C, Johansson, C, Kupinska, K, Burgess-Brown, N.A, Shrestha, L, Dong, W, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K, Oppermann, U. | Deposit date: | 2016-02-17 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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6MLC
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![BU of 6mlc by Molmil](/molmil-images/mine/6mlc) | PHD6 domain of MLL3 in complex with histone H4 | Descriptor: | GLYCEROL, Histone H4, Histone-lysine N-methyltransferase 2C, ... | Authors: | Dong, A, Liu, Y, Qin, S, Lei, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-27 | Release date: | 2018-10-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into trans-histone regulation of H3K4 methylation by unique histone H4 binding of MLL3/4. Nat Commun, 10, 2019
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5MYG
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![BU of 5myg by Molmil](/molmil-images/mine/5myg) | Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe | Descriptor: | 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide, Peregrin | Authors: | Tallant, C, Igoe, N, Bayle, E.D, Krojer, T, Nunez-Alonso, G, Kopec, J, Fitzpatrick, F, Savitsky, P, Fedorov, O, Brennan, P.E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-26 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins. J. Med. Chem., 60, 2017
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5FV3
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![BU of 5fv3 by Molmil](/molmil-images/mine/5fv3) | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | Deposit date: | 2016-02-02 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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6Y6C
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![BU of 6y6c by Molmil](/molmil-images/mine/6y6c) | TREM2 extracellular domain (19-174) in complex with single-chain variable fragment (scFv-4) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Single chain variable, Triggering receptor expressed on myeloid cells 2 | Authors: | Szykowska, A, Preger, C, Williams, E, Mukhopadhyay, S.M.M, McKinley, G, Gruslund, S, Wigren, E, Persson, H, Arrowsmith, C.H, Edwards, A, von Delft, F, Bountra, C, Davis, J.B, Di Daniel, E, Burgess-Brown, N, Bullock, A. | Deposit date: | 2020-02-26 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain. Structure, 29, 2021
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6YMQ
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![BU of 6ymq by Molmil](/molmil-images/mine/6ymq) | TREM2 extracellular domain (19-131) in complex with single-chain variable 4 (scFv-4) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Single-chain variable 4, ... | Authors: | Szykowska, A, Preger, C, Scacioc, A, Mukhopadhyay, S.M.M, McKinley, G, Graslund, S, Wigren, E, Persson, H, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Di Daniel, E, Davis, J.B, Burgess-Brown, N, Bullock, A. | Deposit date: | 2020-04-09 | Release date: | 2021-02-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Selection and structural characterization of anti-TREM2 scFvs that reduce levels of shed ectodomain. Structure, 29, 2021
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6NFT
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![BU of 6nft by Molmil](/molmil-images/mine/6nft) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (4-oxoquinazolin-3(4H)-yl)acetic acid | Descriptor: | (4-oxoquinazolin-3(4H)-yl)acetic acid, 1,2-ETHANEDIOL, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Mann, M.K, Tempel, W, Bountra, C, Arrowmsmith, C.M, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-20 | Release date: | 2019-01-02 | Last modified: | 2021-06-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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4COO
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![BU of 4coo by Molmil](/molmil-images/mine/4coo) | Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-01-29 | Release date: | 2014-03-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation. J.Biol.Chem., 289, 2014
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2YD0
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![BU of 2yd0 by Molmil](/molmil-images/mine/2yd0) | Crystal structure of the soluble domain of human endoplasmic reticulum aminopeptidase 1 ERAP1 | Descriptor: | 1,2-ETHANEDIOL, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vollmar, M, Kochan, G, Krojer, T, Ugochukwu, E, Muniz, J.R.C, Raynor, J, Chaikuad, A, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2011-03-17 | Release date: | 2011-04-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of the Endoplasmic Reticulum Aminopeptidase-1 (Erap1) Reveal the Molecular Basis for N-Terminal Peptide Trimming. Proc.Natl.Acad.Sci.USA, 108, 2011
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6WZX
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![BU of 6wzx by Molmil](/molmil-images/mine/6wzx) | GID4 in complex with IGLWKS peptide | Descriptor: | Glucose-induced degradation protein 4 homolog, ILE-GLY-LEU-TRP-LYS peptide, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-14 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Recognition of nonproline N-terminal residues by the Pro/N-degron pathway. Proc.Natl.Acad.Sci.USA, 117, 2020
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5DYL
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![BU of 5dyl by Molmil](/molmil-images/mine/5dyl) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form | Descriptor: | cGMP-dependent protein kinase, putative | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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5DYK
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![BU of 5dyk by Molmil](/molmil-images/mine/5dyk) | Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium falciparum - Apo form | Descriptor: | 1,2-ETHANEDIOL, CGMP-dependent protein kinase, GLYCEROL, ... | Authors: | Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-24 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation. Proc.Natl.Acad.Sci.USA, 116, 2019
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3I3T
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![BU of 3i3t by Molmil](/molmil-images/mine/3i3t) | Crystal structure of covalent ubiquitin-USP21 complex | Descriptor: | ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 21, ... | Authors: | Neculai, D, Avvakumov, G.V, Walker, J.R, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-30 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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4C59
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![BU of 4c59 by Molmil](/molmil-images/mine/4c59) | Structure of GAK kinase in complex with nanobody (NbGAK_4) | Descriptor: | (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}, Cyclin-G-associated kinase, NANOBODY | Authors: | Chaikuad, A, Keates, T, Allerston, C.K, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Muller-Knapp, S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies. Biochem. J., 459, 2014
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7NIO
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![BU of 7nio by Molmil](/molmil-images/mine/7nio) | Crystal structure of the SARS-CoV-2 helicase APO form | Descriptor: | SARS-CoV-2 helicase NSP13, ZINC ION | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | Deposit date: | 2021-02-12 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7NN0
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![BU of 7nn0 by Molmil](/molmil-images/mine/7nn0) | Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | Deposit date: | 2021-02-23 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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7NNG
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![BU of 7nng by Molmil](/molmil-images/mine/7nng) | Crystal structure of the SARS-CoV-2 helicase in complex with Z2327226104 | Descriptor: | 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid, PHOSPHATE ION, SARS-CoV-2 helicase NSP13, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | Deposit date: | 2021-02-24 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5FPV
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![BU of 5fpv by Molmil](/molmil-images/mine/5fpv) | Crystal structure of human JMJD2A in complex with compound KDOAM20A | Descriptor: | 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, LYSINE-SPECIFIC DEMETHYLASE 4A, MANGANESE (II) ION, ... | Authors: | Srikannathasan, V, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2015-12-03 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2W7R
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![BU of 2w7r by Molmil](/molmil-images/mine/2w7r) | Structure of the PDZ domain of Human Microtubule associated serine- threonine kinase 4 | Descriptor: | MICROTUBULE-ASSOCIATED SERINE/THREONINE-PROTEIN KINASE 4, PHOSPHATE ION | Authors: | Muniz, J.R.C, Elkins, J, Wang, J, Savitzky, P, Roos, A, Salah, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2008-12-24 | Release date: | 2009-05-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Unusual Binding Interactions in Pdz Domain Crystal Structures Help Explain Binding Mechanisms. Protein Sci., 19, 2010
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5FUN
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![BU of 5fun by Molmil](/molmil-images/mine/5fun) | Crystal structure of human JARID1B in complex with GSK467 | Descriptor: | 1,2-ETHANEDIOL, 2-[(1-benzyl-1H-pyrazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4(3H)-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | Deposit date: | 2016-01-28 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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2YPR
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![BU of 2ypr by Molmil](/molmil-images/mine/2ypr) | Crystal structure of the DNA binding ETS domain of human protein FEV | Descriptor: | GLYCEROL, PROTEIN FEV | Authors: | Allerston, C.K, Cooper, C, Vollmar, M, Krojer, T, von Delft, F, Weigelt, J, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O. | Deposit date: | 2012-10-31 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structures of the Ets Domains of Transcription Factors Etv1, Etv4, Etv5 and Fev: Determinants of DNA Binding and Redox Regulation by Disulfide Bond Formation. J.Biol.Chem., 290, 2015
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5FPU
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![BU of 5fpu by Molmil](/molmil-images/mine/5fpu) | Crystal structure of human JARID1B in complex with GSKJ1 | Descriptor: | 1,2-ETHANEDIOL, 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Nowak, R, Johansson, C, Gileadi, C, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U. | Deposit date: | 2015-12-03 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development. Nat.Chem.Biol., 12, 2016
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6XKC
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![BU of 6xkc by Molmil](/molmil-images/mine/6xkc) | Crystal structure of E3 ligase | Descriptor: | Protein fem-1 homolog C | Authors: | Yan, X, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Dong, C, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-26 | Release date: | 2020-10-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Molecular basis for ubiquitin ligase CRL2 FEM1C -mediated recognition of C-degron. Nat.Chem.Biol., 17, 2021
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