3K1Z
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![BU of 3k1z by Molmil](/molmil-images/mine/3k1z) | Crystal Structure of Human Haloacid Dehalogenase-like Hydrolase Domain containing 3 (HDHD3) | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Haloacid dehalogenase-like hydrolase domain-containing protein 3 | Authors: | Ugochukwu, E, Guo, K, Yue, W.W, Pilka, E, Picaud, S, Muniz, J, Pike, A.C.W, Krojer, T, Gomes, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-29 | Release date: | 2009-11-03 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal Structure of Human Haloacid Dehalogenase-like Hydrolase Domain containing 3 (HDHD3) To be Published
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3SE2
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![BU of 3se2 by Molmil](/molmil-images/mine/3se2) | Human poly(ADP-ribose) polymerase 14 (PARP14/ARTD8) - catalytic domain in complex with 6(5H)-phenanthridinone | Descriptor: | 3-aminobenzamide, CHLORIDE ION, GLYCEROL, ... | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Siponen, M.I, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-10 | Release date: | 2011-07-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat.Biotechnol., 30, 2012
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3K35
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![BU of 3k35 by Molmil](/molmil-images/mine/3k35) | Crystal Structure of Human SIRT6 | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, NAD-dependent deacetylase sirtuin-6, SULFATE ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-01 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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3SOG
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![BU of 3sog by Molmil](/molmil-images/mine/3sog) | Crystal structure of the BAR domain of human Amphiphysin, isoform 1 | Descriptor: | 1,2-ETHANEDIOL, Amphiphysin, POTASSIUM ION | Authors: | Allerston, C.K, Krojer, T, Chaikuad, A, Cooper, C.D.O, Berridge, G, Savitsky, P, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-30 | Release date: | 2011-07-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: |
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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3JUV
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![BU of 3juv by Molmil](/molmil-images/mine/3juv) | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) | Descriptor: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-15 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles. J. Mol. Biol., 397, 2010
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3K21
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![BU of 3k21 by Molmil](/molmil-images/mine/3k21) | Crystal Structure of carboxy-terminus of PFC0420w. | Descriptor: | ACETATE ION, CALCIUM ION, Calcium-dependent protein kinase 3, ... | Authors: | Wernimont, A.K, Hutchinson, A, Artz, J.D, Mackenzie, F, Cossar, D, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-29 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structures of parasitic CDPK domains point to a common mechanism of activation. Proteins, 79, 2011
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7OQZ
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![BU of 7oqz by Molmil](/molmil-images/mine/7oqz) | Cryo-EM structure of human TMEM45A | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Transmembrane protein 45A | Authors: | Grieben, M, Pike, A.C.W, Evans, A, Shrestha, L, Venkaya, S, Mukhopadhyay, S.M.M, Moreira, T, Chalk, R, MacLean, E.M, Marsden, B.D, Burgess-Brown, N.A, Bountra, C, Carpenter, E.P. | Deposit date: | 2021-06-04 | Release date: | 2021-06-16 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.27 Å) | Cite: | CryoEM structure of human TMEM45A To Be Published
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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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3KU2
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![BU of 3ku2 by Molmil](/molmil-images/mine/3ku2) | Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440 | Descriptor: | Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION | Authors: | Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-26 | Release date: | 2010-02-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium. Nat.Struct.Mol.Biol., 17, 2010
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6OGJ
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![BU of 6ogj by Molmil](/molmil-images/mine/6ogj) | MeCP2 MBD in complex with DNA | Descriptor: | DNA (5'-D(*CP*GP*GP*AP*GP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*CP*AP*CP*TP*CP*CP*G)-3'), Methyl-CpG-binding protein 2, ... | Authors: | Lei, M, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-04-02 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Plasticity at the DNA recognition site of the MeCP2 mCG-binding domain. Biochim Biophys Acta Gene Regul Mech, 1862, 2019
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3PKI
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![BU of 3pki by Molmil](/molmil-images/mine/3pki) | Human SIRT6 crystal structure in complex with ADP ribose | Descriptor: | NAD-dependent deacetylase sirtuin-6, SULFATE ION, UNKNOWN ATOM OR ION, ... | Authors: | Pan, P.W, Dong, A, Qiu, W, Loppnau, P, Wang, J, Ravichandran, M, Bochkarev, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Min, J, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-11 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure and biochemical functions of SIRT6. J.Biol.Chem., 286, 2011
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6OE7
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![BU of 6oe7 by Molmil](/molmil-images/mine/6oe7) | Crystal structure of HMCES cross-linked to DNA abasic site | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*(DRZ)P*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | Authors: | Halabelian, L, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-27 | Release date: | 2019-04-24 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Nat.Struct.Mol.Biol., 26, 2019
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3K5K
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![BU of 3k5k by Molmil](/molmil-images/mine/3k5k) | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | Descriptor: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | Authors: | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-10-07 | Release date: | 2009-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. J.Med.Chem., 52, 2009
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3JUS
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![BU of 3jus by Molmil](/molmil-images/mine/3jus) | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole | Descriptor: | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | Authors: | Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-15 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles. J. Mol. Biol., 397, 2010
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3Q4S
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![BU of 3q4s by Molmil](/molmil-images/mine/3q4s) | Crystal Structure of Human Glycogenin-1 (GYG1), apo form | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Glycogenin-1 | Authors: | Chaikuad, A, Froese, D.S, Yue, W.W, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, O, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-24 | Release date: | 2011-02-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis. Proc.Natl.Acad.Sci.USA, 108, 2011
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3PR3
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![BU of 3pr3 by Molmil](/molmil-images/mine/3pr3) | Crystal structure of Plasmodium falciparum glucose-6-phosphate isomerase (PF14_0341) in complex with fructose-6-phosphate | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Glucose-6-phosphate isomerase, PHOSPHATE ION | Authors: | Gileadi, T, Wernimont, A.K, Hutchinson, A, Weadge, J, Cossar, D, Lew, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Hills, T, Pizarro, J.C, Structural Genomics Consortium (SGC) | Deposit date: | 2010-11-29 | Release date: | 2011-02-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of Plasmodium falciparum glucose-6-phosphate isomerase (PF14_0341) in complex with fructose-6-phosphate To be Published
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3HMF
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![BU of 3hmf by Molmil](/molmil-images/mine/3hmf) | Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Protein polybromo-1, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3HM6
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![BU of 3hm6 by Molmil](/molmil-images/mine/3hm6) | Crystal structure of the cytoplasmic domain of human plexin B1 | Descriptor: | Plexin-B1, UNKNOWN ATOM OR ION, Unknown peptide | Authors: | Tong, Y, He, H, Shen, L, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-28 | Release date: | 2009-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Structure and function of the intracellular region of the plexin-b1 transmembrane receptor. J.Biol.Chem., 284, 2009
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3HME
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![BU of 3hme by Molmil](/molmil-images/mine/3hme) | Crystal structure of human bromodomain containing 9 isoform 1 (BRD9) | Descriptor: | Bromodomain-containing protein 9 | Authors: | Filippakopoulos, P, Eswaran, J, Keates, T, Picaud, S, Roos, A, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3I2B
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![BU of 3i2b by Molmil](/molmil-images/mine/3i2b) | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase | Descriptor: | 1,2-ETHANEDIOL, 6-pyruvoyl tetrahydrobiopterin synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ugochukwu, E, Cocking, R, Pilka, E, Yue, W.W, Bray, J.E, Chaikuad, A, Krojer, T, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-29 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase To be Published
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3T7O
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![BU of 3t7o by Molmil](/molmil-images/mine/3t7o) | Crystal Structure of Human Glycogenin-1 (GYG1) complexed with manganese, UDP-Glucose and glucose | Descriptor: | 1,2-ETHANEDIOL, Glycogenin-1, MANGANESE (II) ION, ... | Authors: | Chaikuad, A, Froese, D.S, Krysztofinska, E, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Oppermann, U, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2011-07-30 | Release date: | 2011-08-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conformational plasticity of glycogenin and its maltosaccharide substrate during glycogen biogenesis. Proc.Natl.Acad.Sci.USA, 108, 2011
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5ENF
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![BU of 5enf by Molmil](/molmil-images/mine/5enf) | Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein | Authors: | Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC) | Deposit date: | 2015-11-09 | Release date: | 2016-04-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain. Chem Sci, 7, 2016
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6Q3Y
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![BU of 6q3y by Molmil](/molmil-images/mine/6q3y) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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3HMH
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![BU of 3hmh by Molmil](/molmil-images/mine/3hmh) | Crystal structure of the second bromodomain of human TBP-associated factor RNA polymerase 1-like (TAF1L) | Descriptor: | Transcription initiation factor TFIID 210 kDa subunit | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Zhang, Y, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-29 | Release date: | 2009-06-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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