7PSP
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![BU of 7psp by Molmil](/molmil-images/mine/7psp) | Crystal structure of S100A4 labeled with NU000846b. | Descriptor: | (2R,4R)-1-(2-chloranylethanoyl)-N-(3-chlorophenyl)-4-phenyl-pyrrolidine-2-carboxamide, CALCIUM ION, Protein S100-A4 | Authors: | Giroud, C, Szommer, T, Coxon, C, Monteiro, O, Christott, T, Bennett, J, Aitmakhanova, K, Raux, B, Newman, J, Elkins, J, Arruda Bezerra, G, Krojer, T, Koekemoer, L, Von Delft, F, Bountr, C, Brennan, P, Fedorov, O. | Deposit date: | 2021-09-23 | Release date: | 2022-10-05 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal structure of S100A4 labeled with NU000846b. To Be Published
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4URJ
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![BU of 4urj by Molmil](/molmil-images/mine/4urj) | Crystal structure of human BJ-TSA-9 | Descriptor: | 1,2-ETHANEDIOL, PROTEIN FAM83A | Authors: | Pinkas, D.M, Sanvitale, C, Wang, D, Krojer, T, Kopec, J, Chaikuad, A, Dixon Clarke, S, Berridge, G, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A. | Deposit date: | 2014-06-30 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Crystal Structure of Human Bj-Tsa-9 To be Published
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6XTJ
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![BU of 6xtj by Molmil](/molmil-images/mine/6xtj) | The high resolution structure of the FERM domain of human FERMT2 | Descriptor: | CITRIC ACID, Fermitin family homolog 2,Fermitin family homolog 2,Fermitin family homolog 2 | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-01-16 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The high resolution structure of the FERM domain of human FERMT2 To Be Published
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6XCG
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![BU of 6xcg by Molmil](/molmil-images/mine/6xcg) | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934 | Descriptor: | Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION | Authors: | Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-08 | Release date: | 2020-07-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization. Nat.Chem.Biol., 18, 2022
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7NGB
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![BU of 7ngb by Molmil](/molmil-images/mine/7ngb) | Structure of Wild-Type Human Potassium Chloride Transporter KCC3 in NaCl (LMNG/CHS) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Chi, G, Man, H, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L. | Deposit date: | 2021-02-09 | Release date: | 2021-06-09 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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5W9Q
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![BU of 5w9q by Molmil](/molmil-images/mine/5w9q) | Zinc finger region of MBD1 in complex with CpG DNA | Descriptor: | Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC 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: | 2017-06-23 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 26, 2018
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5WP3
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![BU of 5wp3 by Molmil](/molmil-images/mine/5wp3) | Crystal Structure of EED in complex with EB22 | Descriptor: | EB22, Polycomb protein EED, UNKNOWN ATOM OR ION | Authors: | Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-08-03 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6XKB
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![BU of 6xkb by Molmil](/molmil-images/mine/6xkb) | Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD | Descriptor: | S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION | Authors: | Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-26 | Release date: | 2021-01-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4. Febs Lett., 596, 2022
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7NNS
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![BU of 7nns by Molmil](/molmil-images/mine/7nns) | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type I, Momelotinib, ... | Authors: | Williams, E, Chen, Z, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | Deposit date: | 2021-02-25 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound Momelotinib To Be Published
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8C8B
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![BU of 8c8b by Molmil](/molmil-images/mine/8c8b) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 48). | Descriptor: | 4-[[(2~{S})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-~{N}-prop-2-enyl-quinazoline-2-carboxamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-19 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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8C8S
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![BU of 8c8s by Molmil](/molmil-images/mine/8c8s) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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5A3N
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![BU of 5a3n by Molmil](/molmil-images/mine/5a3n) | Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | Descriptor: | 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | Deposit date: | 2015-06-02 | Release date: | 2015-07-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells. Cell Chem Biol, 24, 2017
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5W9E
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![BU of 5w9e by Molmil](/molmil-images/mine/5w9e) | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R. | Deposit date: | 2017-06-23 | Release date: | 2017-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186 To be published
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6DVR
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![BU of 6dvr by Molmil](/molmil-images/mine/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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4FU3
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![BU of 4fu3 by Molmil](/molmil-images/mine/4fu3) | CID of human RPRD1B | Descriptor: | CHLORIDE ION, Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | Deposit date: | 2012-06-28 | Release date: | 2012-08-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CID of human RPRD1B TO BE PUBLISHED
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4PTB
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![BU of 4ptb by Molmil](/molmil-images/mine/4ptb) | Crystal structure of human SP100 PHD-Bromodomain in the free state | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ... | Authors: | Tallant, C, Nunez-Alonso, G, Savitsky, P, Newman, J, Krojer, T, Szykowska, A, Burgess-Brown, N, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. | Deposit date: | 2014-03-10 | Release date: | 2014-04-30 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of human SP100 PHD-Bromodomain in the free state To be Published
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4UYI
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![BU of 4uyi by Molmil](/molmil-images/mine/4uyi) | Crystal structure of the BTB domain of human SLX4 (BTBD12) | Descriptor: | STRUCTURE-SPECIFIC ENDONUCLEASE SUBUNIT SLX4 | Authors: | Pinkas, D.M, Sanvitale, C.E, Strain-Damerell, C, Fairhead, M, Wang, D, Tallant, C, Cooper, C.D.O, Sorrell, F.J, Kopec, J, Chaikuad, A, Fitzpatrick, F, Pike, A.C.W, Hozjan, V, Ying, Z, Roos, A.K, Savitsky, P, Bradley, A, Nowak, R, Filippakopoulos, P, Krojer, T, Burgess-Brown, N.A, Marsden, B.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-09-01 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal Structure of the Btb Domain of Human Slx4 (Btbd12) To be Published
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5WCF
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![BU of 5wcf by Molmil](/molmil-images/mine/5wcf) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | Descriptor: | (5R)-4-(5-bromofuran-2-carbonyl)-5-(4-fluorophenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Dong, A, Zeng, H, Hutch, A, Seitova, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-30 | Release date: | 2017-08-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The Crystal Structure of Human HMT1 hnRNP methyltransferase-like protein 6 in complex with MTLLE1441 to be published
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6R7X
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![BU of 6r7x by Molmil](/molmil-images/mine/6r7x) | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (2mM Ca2+, closed form) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Anoctamin-10, CALCIUM ION, ... | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Baronina, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-29 | Release date: | 2019-05-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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6R7Y
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![BU of 6r7y by Molmil](/molmil-images/mine/6r7y) | CryoEM structure of calcium-bound human TMEM16K / Anoctamin 10 in detergent (low Ca2+, closed form) | Descriptor: | Anoctamin-10, CALCIUM ION | Authors: | Pike, A.C.W, Bushell, S.R, Shintre, C.A, Tessitore, A, Chu, A, Mukhopadhyay, S, Shrestha, L, Chalk, R, Burgess-Brown, N.A, Love, J, Huiskonen, J.T, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-29 | Release date: | 2019-05-01 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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6R65
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![BU of 6r65 by Molmil](/molmil-images/mine/6r65) | Crystal Structure of human TMEM16K / Anoctamin 10 (Form 2) | Descriptor: | 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: | 2019-03-26 | Release date: | 2019-05-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structural basis of lipid scrambling and inactivation in the endoplasmic reticulum scramblase TMEM16K. Nat Commun, 10, 2019
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6RBJ
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![BU of 6rbj by Molmil](/molmil-images/mine/6rbj) | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol | Descriptor: | 1,2-ETHANEDIOL, 5-(1~{H}-1,2,3,4-tetrazol-5-yl)quinolin-8-ol, CHLORIDE ION, ... | Authors: | Johansson, C, Newman, J.A, Kawamura, A, Schofield, C.J, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T. | Deposit date: | 2019-04-10 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.093 Å) | Cite: | Crystal structure of KDM3B in complex with 5-(1H-tetrazol-5-yl)quinolin-8-ol To Be Published
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4GD4
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![BU of 4gd4 by Molmil](/molmil-images/mine/4gd4) | Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-07-31 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor TO BE PUBLISHED
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4UUC
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![BU of 4uuc by Molmil](/molmil-images/mine/4uuc) | 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
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3DA2
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![BU of 3da2 by Molmil](/molmil-images/mine/3da2) | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | Authors: | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-05-28 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor. To be Published
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