9BBH
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![BU of 9bbh by Molmil](/molmil-images/mine/9bbh) | Co-crystal structure of human DDB1 bound to fragment UB028670 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole, DNA damage-binding protein 1, ... | Authors: | Zeng, H, Dong, A, Frommlet, A, Seitova, A, Loppnau, P, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028670 To be published
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8VIS
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![BU of 8vis by Molmil](/molmil-images/mine/8vis) | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Fraser, B.J, Dong, A, Ilyassov, O, Kenney, T, Li, Y.Y, Seitova, A, Li, Y, Hejazi, Z, Edwards, A, Benard, F, Arrowsmith, C. | Deposit date: | 2024-01-05 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Human TMPRSS11D complexed with a disulfide-linked autoinhibitory DDDDK peptide To Be Published
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8V1F
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![BU of 8v1f by Molmil](/molmil-images/mine/8v1f) | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol To Be Published
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4XDJ
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![BU of 4xdj by Molmil](/molmil-images/mine/4xdj) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) in an alternate conformation (FORM 2) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, POTASSIUM ION, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Mackenzie, A, Mukhopadhyay, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2014-12-19 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | K2P channel gating mechanisms revealed by structures of TREK-2 and a complex with Prozac. Science, 347, 2015
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6S3Q
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![BU of 6s3q by Molmil](/molmil-images/mine/6s3q) | Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with TFB-TBOA | Descriptor: | (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-25 | Release date: | 2020-07-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structure of human excitatory amino acid transporter 3 (EAAT3) TO BE PUBLISHED
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3IQ2
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![BU of 3iq2 by Molmil](/molmil-images/mine/3iq2) | Human sorting nexin 7, phox homology (PX) domain | Descriptor: | GLYCEROL, SULFATE ION, Sorting nexin-7 | Authors: | Karlberg, T, Wisniewska, 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, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-19 | Release date: | 2009-09-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Human Sorting Nexin 7, Phox Homology (Px) Domain To be Published
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5IGK
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![BU of 5igk by Molmil](/molmil-images/mine/5igk) | Crystal structure of the first bromodomain of human BRD4 in complex with bromosporine (BSP) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Bromosporine | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-28 | Release date: | 2016-10-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Promiscuous targeting of bromodomains by bromosporine identifies BET proteins as master regulators of primary transcription response in leukemia. Sci Adv, 2, 2016
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7B6P
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![BU of 7b6p by Molmil](/molmil-images/mine/7b6p) | Crystal structure of E.coli MurE - C269S C340S C450S in complex with Ellman's reagent | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, ISOPROPYL ALCOHOL, ... | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-08 | Release date: | 2020-12-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Crystal structure of MurE from E.coli To Be Published
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3IJW
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![BU of 3ijw by Molmil](/molmil-images/mine/3ijw) | Crystal structure of BA2930 in complex with CoA | Descriptor: | ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... | Authors: | Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-08-05 | Release date: | 2009-10-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
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5TF2
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![BU of 5tf2 by Molmil](/molmil-images/mine/5tf2) | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN | Descriptor: | Prolactin regulatory element-binding protein, UNKNOWN ATOM OR ION | Authors: | Walker, J.R, Zhang, Q, Dong, A, Wernimont, A, Li, Y, He, H, Tempel, W, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Chen, Z, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-23 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | CRYSTAL STRUCTURE OF THE WD40 DOMAIN OF THE HUMAN PROLACTIN REGULATORY ELEMENT-BINDING PROTEIN (CASP target) To be published
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3IWE
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![BU of 3iwe by Molmil](/molmil-images/mine/3iwe) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646 | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-02 | Release date: | 2009-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD85646 To be Published
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5TEY
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![BU of 5tey by Molmil](/molmil-images/mine/5tey) | Human METTL3-METTL14 complex | Descriptor: | 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ... | Authors: | DONG, A, ZENG, H, LI, Y, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-23 | Release date: | 2016-11-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Human METTL3-METTL14 complex to be published
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5J0D
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![BU of 5j0d by Molmil](/molmil-images/mine/5j0d) | Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound | Descriptor: | 1,2-ETHANEDIOL, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, CREB-binding protein | Authors: | Tallant, C, Popp, T.A, Fedorov, O, Siejka, P, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-03-28 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors. J.Med.Chem., 59, 2016
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6SY1
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![BU of 6sy1 by Molmil](/molmil-images/mine/6sy1) | Crystal structure of the human 2-oxoadipate dehydrogenase DHTKD1 (E1) | Descriptor: | MAGNESIUM ION, Probable 2-oxoglutarate dehydrogenase E1 component DHKTD1, mitochondrial, ... | Authors: | Bezerra, G.A, Foster, W, Shrestha, L, Pena, I.A, Coker, J, Kolker, S, Nicola, B.B, von Delft, F, Edwards, A, Arrowsmith, C, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Crystal structure and interaction studies of human DHTKD1 provide insight into a mitochondrial megacomplex in lysine catabolism. Iucrj, 7, 2020
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4CUT
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![BU of 4cut by Molmil](/molmil-images/mine/4cut) | Crystal structure of human BAZ2B in complex with fragment-5 N09428 | Descriptor: | 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | Authors: | Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F. | Deposit date: | 2014-03-21 | Release date: | 2014-04-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.835 Å) | Cite: | Crystal Structure of Human Baz2B in Complex with Fragment-5 N09428 To be Published
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3IHL
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![BU of 3ihl by Molmil](/molmil-images/mine/3ihl) | Human CTPS2 crystal structure | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CTP synthase 2, PHOSPHATE ION | Authors: | Moche, M, Siponen, M.I, 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, Kotzsch, A, Kragh Nielsen, T, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-30 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Human CTPS2 crystal structure To be Published
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6SYP
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![BU of 6syp by Molmil](/molmil-images/mine/6syp) | Human DHODH bound to inhibitor IPP/CNRS-A017 | Descriptor: | 2-[4-[2,6-bis(fluoranyl)phenoxy]-5-methyl-3-propan-2-yloxy-pyrazol-1-yl]-5-cyclopropyl-3-fluoranyl-pyridine, Dihydroorotate dehydrogenase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Kraemer, A, Janin, Y, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor Eur.J.Med.Chem., 208, 2020
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3IU1
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![BU of 3iu1 by Molmil](/molmil-images/mine/3iu1) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-29 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA To be Published
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3IU2
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![BU of 3iu2 by Molmil](/molmil-images/mine/3iu2) | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096 | Descriptor: | (2R)-2-{4-hydroxy-5-methoxy-2-[3-(4-methylpiperazin-1-yl)propyl]phenyl}-3-pyridin-3-yl-1,3-thiazolidin-4-one, Glycylpeptide N-tetradecanoyltransferase 1, TETRADECANOYL-COA | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Lin, Y.-H, Kania, A, Ravichandran, M, Kozieradzki, I, Cossar, D, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Wyatt, P.G, Ferguson, M.A.J, Frearson, J.A, Brand, S.Y, Robinson, D.A, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-08-29 | Release date: | 2009-09-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal Structure of human type-I N-myristoyltransferase with bound myristoyl-CoA and inhibitor DDD90096 To be Published
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3NPN
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![BU of 3npn by Molmil](/molmil-images/mine/3npn) | |
2BDD
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![BU of 2bdd by Molmil](/molmil-images/mine/2bdd) | Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii | Descriptor: | ACP-synthase | Authors: | Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2005-10-20 | Release date: | 2005-11-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms. Mol.Biochem.Parasitol., 151, 2007
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1PF5
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![BU of 1pf5 by Molmil](/molmil-images/mine/1pf5) | Structural Genomics, Protein YJGH | Descriptor: | Hypothetical protein yjgH, MERCURY (II) ION | Authors: | Zhang, R, Joachimiak, A, Edwards, A, Savchenko, A, Xu, L, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2003-05-23 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The 2.5A crystal structure of protein YJGH from E. Coli To be Published
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6V9T
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![BU of 6v9t by Molmil](/molmil-images/mine/6v9t) | Tudor domain of TDRD3 in complex with a small molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-12-16 | Release date: | 2019-12-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.154 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
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6T28
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![BU of 6t28 by Molmil](/molmil-images/mine/6t28) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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6T29
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![BU of 6t29 by Molmil](/molmil-images/mine/6t29) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.484 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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