6LUQ
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![BU of 6luq by Molmil](/molmil-images/mine/6luq) | Haloperidol bound D2 dopamine receptor structure inspired discovery of subtype selective ligands | Descriptor: | 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one, OLEIC ACID, chimera of D(2) dopamine receptor and Endolysin | Authors: | Fan, L, Tan, L, Chen, Z, Qi, J, Nie, F, Luo, Z, Cheng, J, Wang, S. | Deposit date: | 2020-01-30 | Release date: | 2020-03-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Haloperidol bound D2dopamine receptor structure inspired the discovery of subtype selective ligands. Nat Commun, 11, 2020
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7VOE
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![BU of 7voe by Molmil](/molmil-images/mine/7voe) | Crystal structure of 5-HT2AR in complex with aripiprazole | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, 7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one, ... | Authors: | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | Deposit date: | 2021-10-13 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties. Nat.Neurosci., 25, 2022
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7VOD
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![BU of 7vod by Molmil](/molmil-images/mine/7vod) | Crystal structure of 5-HT2AR in complex with cariprazine | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[4-[2-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethyl-urea, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | Authors: | Chen, Z, Fan, L, Wang, H, Yu, J, Lu, D, Qi, J, Nie, F, Luo, Z, Liu, Z, Cheng, J, Wang, S. | Deposit date: | 2021-10-13 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-based design of a novel third-generation antipsychotic drug lead with potential antidepressant properties. Nat.Neurosci., 25, 2022
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6GWX
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![BU of 6gwx by Molmil](/molmil-images/mine/6gwx) | Stabilising and Understanding a Miniprotein by Rational Design. | Descriptor: | Optimised PPa-TYR | Authors: | Porter Goff, K.L, Williams, C, Baker, E.G, Nicol, D, Samphire, J.L, Zieleniewski, F.L, Crump, M.P, Woolfson, D.N. | Deposit date: | 2018-06-26 | Release date: | 2019-07-10 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Stabilizing and Understanding a Miniprotein by Rational Redesign. Biochemistry, 58, 2019
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2XDV
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![BU of 2xdv by Molmil](/molmil-images/mine/2xdv) | Crystal Structure of the Catalytic Domain of FLJ14393 | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ... | Authors: | Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2010-05-07 | Release date: | 2010-05-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans. Nature, 510, 2014
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7OU3
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![BU of 7ou3 by Molmil](/molmil-images/mine/7ou3) | Crystal structure of Tga-AGOG, an 8-oxoguanine DNA glycosylase from Thermococcus gammatolerans | Descriptor: | CHLORIDE ION, GLYCEROL, N-glycosylase/DNA lyase | Authors: | Coste, F, Confalonieri, F, Castaing, B. | Deposit date: | 2021-06-11 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural and functional determinants of the archaeal 8-oxoguanine-DNA glycosylase AGOG for DNA damage recognition and processing. Nucleic Acids Res., 50, 2022
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7ZEJ
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![BU of 7zej by Molmil](/molmil-images/mine/7zej) | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions. To Be Published
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1ZV4
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![BU of 1zv4 by Molmil](/molmil-images/mine/1zv4) | Structure of the Regulator of G-Protein Signaling 17 (RGSZ2) | Descriptor: | Regulator of G-protein signaling 17 | Authors: | Schoch, G.A, Jansson, A, Elkins, J.M, Haroniti, A, Niesen, F.H, Bunkoczi, G, Lee, W.H, Turnbull, A.P, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Marsden, B, Gileadi, O, Ball, L, von Delft, F, Doyle, D.A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-06-01 | Release date: | 2005-06-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits. Proc.Natl.Acad.Sci.Usa, 105, 2008
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7QWC
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![BU of 7qwc by Molmil](/molmil-images/mine/7qwc) | |
7QWE
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![BU of 7qwe by Molmil](/molmil-images/mine/7qwe) | |
7QWD
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![BU of 7qwd by Molmil](/molmil-images/mine/7qwd) | |
7QWB
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![BU of 7qwb by Molmil](/molmil-images/mine/7qwb) | |
7QWA
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![BU of 7qwa by Molmil](/molmil-images/mine/7qwa) | |
8B45
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![BU of 8b45 by Molmil](/molmil-images/mine/8b45) | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 | Descriptor: | 1,2-ETHANEDIOL, CC-Tri-(UbUc)4, SODIUM ION, ... | Authors: | Kumar, P, Martin, F.J.O, Dawson, W.M, Zieleniewski, F, Woolfson, D.N. | Deposit date: | 2022-09-19 | Release date: | 2023-09-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of CC-Tri with Aib@b,c: CC-Tri-(UbUc)4 To Be Published
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2J1L
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![BU of 2j1l by Molmil](/molmil-images/mine/2j1l) | Crystal Structure of Human Rho-related GTP-binding protein RhoD | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHOD | Authors: | Pike, A.C.W, Johansson, C, Gileadi, C, Niesen, F.H, Sobott, F, Schoch, G, Elkins, J, Smee, C, Gorrec, F, Watt, S, Bray, J, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | Deposit date: | 2006-08-14 | Release date: | 2006-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Human Rho-Related GTP-Binding Protein Rhod To be Published
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1Z57
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![BU of 1z57 by Molmil](/molmil-images/mine/1z57) | Crystal structure of human CLK1 in complex with 10Z-Hymenialdisine | Descriptor: | DEBROMOHYMENIALDISINE, Dual specificity protein kinase CLK1 | Authors: | Debreczeni, J, Das, S, Knapp, S, Bullock, A, Guo, K, Amos, A, Fedorov, O, Edwards, A, Sundstrom, M, von Delft, F, Niesen, F.H, Ball, L, Sobott, F, Arrowsmith, C, Structural Genomics Consortium (SGC) | Deposit date: | 2005-03-17 | Release date: | 2005-04-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Kinase domain insertions define distinct roles of CLK kinases in SR protein phosphorylation. Structure, 17, 2009
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2JAM
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![BU of 2jam by Molmil](/molmil-images/mine/2jam) | Crystal structure of human calmodulin-dependent protein kinase I G | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-[2-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE, CALCIUM ION, ... | Authors: | Debreczeni, J.E, Bullock, A, Keates, T, Niesen, F.H, Salah, E, Shrestha, L, Smee, C, Sobott, F, Pike, A.C.W, Bunkoczi, G, von Delft, F, Turnbull, A, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | Deposit date: | 2006-11-29 | Release date: | 2007-03-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of Human Calmodulin-Dependent Protein Kinase I G To be Published
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2HW5
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![BU of 2hw5 by Molmil](/molmil-images/mine/2hw5) | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 | Descriptor: | CROTONYL COENZYME A, Enoyl-CoA hydratase, MAGNESIUM ION | Authors: | Turnbull, A.P, Salah, E, Niesen, F, Debreczeni, J, Ugochukwu, E, Pike, A.C.W, Kavanagh, K, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-07-31 | Release date: | 2006-08-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of human enoyl-coenzyme A (CoA) hydratase short chain 1, ECHS1 To be Published
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2P02
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![BU of 2p02 by Molmil](/molmil-images/mine/2p02) | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 | Descriptor: | CHLORIDE ION, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-2 | Authors: | Papagrigoriou, E, Shafqat, N, Rojkova, A, Niessen, F.H, Kavanagh, K.L, von Delft, F, Gorrec, F, Ugochukwu, E, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Crystal structure of the alpha subunit of human S-adenosylmethionine synthetase 2 To be Published
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2W4O
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![BU of 2w4o by Molmil](/molmil-images/mine/2w4o) | Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl- phenylamino)-triazole-carbothioic acid (2,6-difluoro-phenyl)-amide) | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE IV | Authors: | Muniz, J.R.C, Rellos, P, Gileadi, O, Fedorov, O, Filippakopoulos, P, Salah, E, Pike, A, Phillips, C, Niesen, F, Shrestha, L, Burgess-Brown, N, Bullock, A, Berridge, G, von Delft, F, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Knapp, S. | Deposit date: | 2008-11-28 | Release date: | 2009-01-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal Structure of Human Camk4 in Complex with 4-Amino(Sulfamoyl-Phenylamino)-Triazole- Carbothioic Acid (2,6-Difluoro-Phenyl)-Amide) To be Published
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2P0A
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![BU of 2p0a by Molmil](/molmil-images/mine/2p0a) | The crystal structure of human synapsin III (SYN3) in complex with AMPPNP | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Turnbull, A.P, Phillips, C, Pike, A.C.W, Elkins, J.M, Gileadi, C, Salah, E, Niesen, F.H, Burgess, N, Gileadi, O, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D, Structural Genomics Consortium (SGC) | Deposit date: | 2007-02-28 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of human synapsin III (SYN3) in complex with AMPPNP To be Published
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2QG4
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![BU of 2qg4 by Molmil](/molmil-images/mine/2qg4) | Crystal structure of human UDP-glucose dehydrogenase product complex with UDP-glucuronate | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Kavanagh, K.L, Guo, K, Bunkoczi, G, Savitsky, P, Pilka, E, Bhatia, C, Niesen, F, Smee, C, Berridge, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-06-28 | Release date: | 2007-07-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and mechanism of human UDP-glucose 6-dehydrogenase. J.Biol.Chem., 286, 2011
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2IWI
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![BU of 2iwi by Molmil](/molmil-images/mine/2iwi) | CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | Descriptor: | RUTHENIUM-PYRIDOCARBAZOLE-1, SERINE/THREONINE-PROTEIN KINASE PIM-2 | Authors: | Russo, S, Debreczeni, J.E, Amos, A, Bullock, A.N, Fedorov, O, Niesen, F, Sobott, F, Turnbull, A, Pike, A.C.W, Ugochukwu, E, Papagrigoriou, E, Bunkoczi, G, Gorrec, F, Edwards, A, Arrowsmith, C, Weigelt, J, Sundstrom, M, von Delft, F, Knapp, S. | Deposit date: | 2006-06-30 | Release date: | 2006-08-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor. PLoS ONE, 4, 2009
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2CMW
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![BU of 2cmw by Molmil](/molmil-images/mine/2cmw) | Structure of Human Casein kinase 1 gamma-1 in complex with 2-(2- Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine | Descriptor: | 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, ACETATE ION, CASEIN KINASE I ISOFORM GAMMA-1, ... | Authors: | Bunkoczi, G, Rellos, P, Das, S, Savitsky, P, Niesen, F, Sobott, F, Fedorov, O, Pike, A.C.W, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Weigelt, J, Knapp, S. | Deposit date: | 2006-05-15 | Release date: | 2006-06-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of Human Casein Kinase 1 Gamma-1 in Complex with 2-(2-Hydroxyethylamino)-6-(3-Chloroanilino)-9-Isopropylpurine (Casp Target) To be Published
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2JC6
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![BU of 2jc6 by Molmil](/molmil-images/mine/2jc6) | Crystal structure of human calmodulin-dependent protein kinase 1D | Descriptor: | CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 1D, N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | Authors: | Debreczeni, J.E, Rellos, P, Fedorov, O, Niesen, F.H, Bhatia, C, Shrestha, L, Salah, E, Smee, C, Colebrook, S, Berridge, G, Gileadi, O, Bunkoczi, G, Ugochukwu, E, Pike, A.C.W, von Delft, F, Knapp, S, Sundstrom, M, Weigelt, J, Arrowsmith, C.H, Edwards, A. | Deposit date: | 2006-12-19 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Calmodulin-Dependent Protein Kinase 1D To be Published
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