3SMS
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![BU of 3sms by Molmil](/molmil-images/mine/3sms) | Human Pantothenate kinase 3 in complex with a pantothenate analog | Descriptor: | (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ... | Authors: | Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human Pantothenate kinase 3 in complex with a pantothenate analog to be published
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3L43
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![BU of 3l43 by Molmil](/molmil-images/mine/3l43) | Crystal structure of the dynamin 3 GTPase domain bound with GDP | Descriptor: | Dynamin-3, GUANOSINE-5'-DIPHOSPHATE, UNKNOWN ATOM OR ION | Authors: | Yang, S, Tempel, W, Tong, Y, Nedyalkova, L, Guan, X, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-18 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal structure of the dynamin 3 GTPase domain bound with GDP 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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5KE3
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![BU of 5ke3 by Molmil](/molmil-images/mine/5ke3) | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a | Descriptor: | (S)-N-(furan-2-ylmethyl)-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)piperidine-4-carboxamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Ferreira de Freitas, R, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Schapira, M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-08-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with fragment MRT0181a to be published
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6BPI
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![BU of 6bpi by Molmil](/molmil-images/mine/6bpi) | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-11-23 | Release date: | 2017-12-27 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates to be published
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5J3U
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![BU of 5j3u by Molmil](/molmil-images/mine/5j3u) | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, GLYCEROL, Protein Kinase A | Authors: | El Bakkouri, M, Walker, J.R, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lin, L, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-31 | Release date: | 2016-04-20 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP To Be Published
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3KS9
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![BU of 3ks9 by Molmil](/molmil-images/mine/3ks9) | Metabotropic glutamate receptor mGluR1 complexed with LY341495 antagonist | Descriptor: | 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | Authors: | Dobrovetsky, E, Khutoreskaya, G, Seitova, A, Cossar, D, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-20 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Metabotropic glutamate receptor mglur1 complexed with LY341495 antagonist To be Published
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5V9I
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![BU of 5v9i by Molmil](/molmil-images/mine/5v9i) | Crystal structure of catalytic domain of G9a with MS0105 | Descriptor: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | Authors: | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-23 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of catalytic domain of G9a with MS0105 to be published
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3HNG
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![BU of 3hng by Molmil](/molmil-images/mine/3hng) | Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide | Descriptor: | CHLORIDE ION, N-(4-chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide, Vascular endothelial growth factor receptor 1 | Authors: | Tresaugues, L, Roos, A, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Kragh-Nielsen, T, Kotzch, A, Sagemark, J, Schueler, H, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Van der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-31 | Release date: | 2009-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of VEGFR1 in complex with N-(4-Chlorophenyl)-2-((pyridin-4-ylmethyl)amino)benzamide To be Published
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3S92
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![BU of 3s92 by Molmil](/molmil-images/mine/3s92) | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3 | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-05-31 | Release date: | 2011-06-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1 To be Published
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5NXD
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![BU of 5nxd by Molmil](/molmil-images/mine/5nxd) | LIM Domain Kinase 2 (LIMK2) In Complex With TH-300 | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-chlorophenyl)sulfamoyl]-~{N}-(phenylmethyl)-~{N}-propyl-benzamide, LIM domain kinase 2 | Authors: | Mathea, S, Salah, E, Hanke, T, Newman, J.A, Oerum, S, Wang, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Knapp, S. | Deposit date: | 2017-05-10 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | LIM Domain Kinase 2 (LIMK2)In Complex With TH-300 To Be Published
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5KE2
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![BU of 5ke2 by Molmil](/molmil-images/mine/5ke2) | Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A | Descriptor: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, ... | Authors: | Dong, A, Iqbal, A, Mader, P, Dobrovetsky, E, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2016-06-09 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Crystal structure of SETDB1 Tudor domain in complex with inhibitor xst06472a to be published
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3RBN
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![BU of 3rbn by Molmil](/molmil-images/mine/3rbn) | Crystal structure of MutL protein homolog 1 isoform 1 [Homo sapiens] | Descriptor: | DNA mismatch repair protein Mlh1 | Authors: | Dong, A, Dombrovsky, L, Wernimont, A, Loppnau, P, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-03-29 | Release date: | 2011-04-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of MutL protein homolog 1 isoform 1 [Homo sapiens] To be Published
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5JMS
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![BU of 5jms by Molmil](/molmil-images/mine/5jms) | Crystal structure of TgCDPK1 bound to CGP060476 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-29 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of TgCDPK1bount to CGP060476 To Be Published
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5UNA
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![BU of 5una by Molmil](/molmil-images/mine/5una) | Fragment of 7SK snRNA methylphosphate capping enzyme | Descriptor: | 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, unidentified peptide section/fragment | Authors: | Wu, H, Tempel, W, Dombrovski, L, McCarthy, A.A, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-01-30 | Release date: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Fragment of 7SK snRNA methylphosphate capping enzyme To Be Published
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3CC6
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![BU of 3cc6 by Molmil](/molmil-images/mine/3cc6) | Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B) | Descriptor: | GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta | Authors: | Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, 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, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC) | Deposit date: | 2008-02-25 | Release date: | 2008-03-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain. To be Published
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5NZW
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![BU of 5nzw by Molmil](/molmil-images/mine/5nzw) | Crystal structure of DNA cross-link repair protein 1A in complex with ceftriaxone | Descriptor: | Ceftriaxone, DNA cross-link repair 1A protein, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of DNA cross-link repair protein 1A in complex with ceftriaxone To Be Published
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5NZY
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![BU of 5nzy by Molmil](/molmil-images/mine/5nzy) | Crystal structure of DNA cross-link repair protein 1A in complex with Cefotaxime | Descriptor: | (6R,7R)-3-(acetyloxymethyl)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxo-5-thia-1-azabicy clo[4.2.0]oct-2-ene-2-carboxylic acid, DNA cross-link repair 1A protein, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Crystal structure of DNA cross-link repair protein 1A in complex with Cefotaxime To Be Published
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5NZX
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![BU of 5nzx by Molmil](/molmil-images/mine/5nzx) | Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site) | Descriptor: | Ceftriaxone, DNA cross-link repair 1A protein, NICKEL (II) ION | Authors: | Newman, J.A, Aitkenhead, H, Kupinska, K, Burgess-Brown, N.A, Talon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2017-05-15 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site) To Be Published
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3IV1
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![BU of 3iv1 by Molmil](/molmil-images/mine/3iv1) | Coiled-coil domain of tumor susceptibility gene 101 | Descriptor: | CHLORIDE ION, SULFATE ION, Tumor susceptibility gene 101 protein | Authors: | Neculai, D, Avvakumov, G.V, Wernimont, A.K, Xue, S, Walker, J.R, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-31 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coiled-Coil Domain of Human Tsg101 To be Published
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3L5K
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![BU of 3l5k by Molmil](/molmil-images/mine/3l5k) | The crystal structure of human Haloacid Dehalogenase-like Hydrolase Domain containing 1A (HDHD1A) | Descriptor: | CHLORIDE ION, GLYCEROL, Haloacid dehalogenase-like hydrolase domain-containing protein 1A, ... | Authors: | Ugochukwu, E, Guo, K, Picaud, S, Muniz, J, Allerston, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Yue, W.W, Kavanagh, K.L, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-22 | Release date: | 2010-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The crystal structure of human Haloacid Dehalogenase-like Hydrolase Domain containing 1A (HDHD1A) To be Published
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5TCM
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![BU of 5tcm by Molmil](/molmil-images/mine/5tcm) | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 | Descriptor: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Uncharacterized protein | Authors: | Lin, Y.H, Hou, C.F.D, Loppnau, P, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-15 | Release date: | 2016-10-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | First Bromodomain from Leishmania donovani LdBPK.091320 complexed with BI-2536 To be published
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3Q5I
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![BU of 3q5i by Molmil](/molmil-images/mine/3q5i) | Crystal Structure of PBANKA_031420 | Descriptor: | CALCIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Panico, E, Crombet, L, Cossar, D, Hassani, A, Vedadi, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Neculai, A.M, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-12-28 | Release date: | 2011-06-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of CDPK1 from Plasmodium Bergheii, PBANKA_031420 To be Published
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3HKV
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![BU of 3hkv by Molmil](/molmil-images/mine/3hkv) | Human poly(ADP-ribose) polymerase 10, catalytic fragment in complex with an inhibitor 3-aminobenzamide | Descriptor: | 3-aminobenzamide, PHOSPHATE ION, Poly [ADP-ribose] polymerase 10, ... | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Kotzsch, A, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-05-26 | Release date: | 2009-06-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Poly(Adp-Ribose) Polymerase 10, Catalytic Fragment in Complex with an Inhibitor 3-Aminobenzamide To be Published
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3HZJ
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![BU of 3hzj by Molmil](/molmil-images/mine/3hzj) | Crystal structure of the RabGAP domain of the RABGAP1L protein | Descriptor: | RAB GTPase-activating protein 1-like, UNKNOWN ATOM OR ION | Authors: | Nedyalkova, L, Tempel, W, Tong, Y, Zhong, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-23 | Release date: | 2009-07-14 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the RabGAP domain of the RABGAP1L protein To be Published
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