2JHO
 
 | | Cyanomet Sperm Whale Myoglobin at 1.4A resolution | | Descriptor: | CYANIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Arcovito, A, Benfatto, M, Cianci, M, Hasnain, S.S, Nienhaus, K, Nienhaus, G.U, Savino, C, Strange, R.W, Vallone, B, Della Longa, S. | | Deposit date: | 2007-02-23 | | Release date: | 2007-04-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | X-ray structure analysis of a metalloprotein with enhanced active-site resolution using in situ x-ray absorption near edge structure spectroscopy.
Proc. Natl. Acad. Sci. U.S.A., 104, 2007
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2VRY
 | | Mouse Neuroglobin with heme iron in the reduced ferrous state | | Descriptor: | NEUROGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Arcovito, A, Moschetti, T, D'Angelo, P, Mancini, G, Vallone, B, Brunori, M, Della Longa, S. | | Deposit date: | 2008-04-16 | | Release date: | 2008-05-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | An X-Ray Diffraction and X-Ray Absorption Spectroscopy Joint Study of Neuroglobin.
Arch.Biochem.Biophys., 475, 2008
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1HR6
 | | Yeast Mitochondrial Processing Peptidase | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MITOCHONDRIAL PROCESSING PEPTIDASE ALPHA SUBUNIT, MITOCHONDRIAL PROCESSING PEPTIDASE BETA SUBUNIT, ... | | Authors: | Taylor, A.B, Smith, B.S, Kitada, S, Kojima, K, Miyaura, H, Otwinowski, Z, Ito, A, Deisenhofer, J. | | Deposit date: | 2000-12-21 | | Release date: | 2001-07-11 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of mitochondrial processing peptidase reveal the mode for specific cleavage of import signal sequences.
Structure, 9, 2001
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1HR8
 | | Yeast Mitochondrial Processing Peptidase beta-E73Q Mutant Complexed with Cytochrome C Oxidase IV Signal Peptide | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYTOCHROME C OXIDASE POLYPEPTIDE IV, MITOCHONDRIAL PROCESSING PEPTIDASE ALPHA SUBUNIT, ... | | Authors: | Taylor, A.B, Smith, B.S, Kitada, S, Kojima, K, Miyaura, H, Otwinowski, Z, Ito, A, Deisenhofer, J. | | Deposit date: | 2000-12-21 | | Release date: | 2001-07-11 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structures of mitochondrial processing peptidase reveal the mode for specific cleavage of import signal sequences.
Structure, 9, 2001
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8SHJ
 | | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-04-14 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
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7YYK
 | | Crystal structure of the O-fucosylated form of TSRs1-3 from the human thrombospondin 1 | | Descriptor: | 1,2-ETHANEDIOL, Thrombospondin-1, alpha-L-fucopyranose | | Authors: | Berardinelli, S.J, Eletsky, A, Valero-Gonzalez, J, Ito, A, Manjunath, R, Hurtado-Guerrero, R, Prestegard, J.R, Woods, R.J, Haltiwanger, R.S. | | Deposit date: | 2022-02-18 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond.
J.Biol.Chem., 298, 2022
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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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8RXR
 | | Crystal structure of VPS34 in complex with inhibitor SB02024 | | Descriptor: | 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M. | | Deposit date: | 2024-02-07 | | Release date: | 2024-03-20 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
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5Y4H
 | | Human SIRT3 in complex with halistanol sulfate | | Descriptor: | NAD-dependent protein deacetylase sirtuin-3, mitochondrial, THr-Arg-Ser-GLY-ALY-VAL-MET-ARG-ARG-LEU-ARG-ARG, ... | | Authors: | Kudo, N, Ito, A, Yoshida, M. | | Deposit date: | 2017-08-03 | | Release date: | 2018-05-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Halistanol sulfates I and J, new SIRT1-3 inhibitory steroid sulfates from a marine sponge of the genus Halichondria
J. Antibiot., 71, 2018
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4Y6L
 | | Human SIRT2 in complex with myristoylated peptide (H3K9myr) | | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION, peptide THR-ALA-ARG-MYK-SER-THR-GLY | | Authors: | Kudo, N, Ito, A, Yoshida, M. | | Deposit date: | 2015-02-13 | | Release date: | 2016-01-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
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4Y6O
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4Y6Q
 | | Human SIRT2 in complex with 2-O-myristoyl-ADP-ribose | | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate | | Authors: | Kudo, N, Ito, A, Yoshida, M. | | Deposit date: | 2015-02-13 | | Release date: | 2016-01-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation.
Biochemistry, 54, 2015
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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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1O5W
 | | The structure basis of specific recognitions for substrates and inhibitors of rat monoamine oxidase A | | Descriptor: | Amine oxidase [flavin-containing] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | | Authors: | Ma, J, Yoshimura, M, Yamashita, E, Nakagawa, A, Ito, A, Tsukihara, T. | | Deposit date: | 2003-10-06 | | Release date: | 2004-04-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structure of rat monoamine oxidase a and its specific recognitions for substrates and inhibitors.
J.Mol.Biol., 338, 2004
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9BBE
 | | Co-crystal structure of human DDB1 bound to fragment UB028668 | | Descriptor: | 5-(4-methoxyphenyl)-3-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | | 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 UB028668
To be published
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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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9BBG
 | | Co-crystal structure of human DDB1 bound to fragment UB028671 | | Descriptor: | 1,2-ETHANEDIOL, 1H-indol-6-amine, 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 (1.7 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028671
To be published
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9BBI
 | | Co-crystal structure of human DDB1 bound to fragment UB028669 | | Descriptor: | 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline, DNA damage-binding protein 1, L(+)-TARTARIC ACID, ... | | 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 (1.9 Å) | | Cite: | Co-crystal structure of human DDB1 bound to fragment UB028669
To be published
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5Y0Z
 | | Human SIRT2 in complex with a specific inhibitor, NPD11033 | | Descriptor: | (1~{R},9~{S})-11-[(2~{R})-3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, NAD-dependent protein deacetylase sirtuin-2, ZINC ION | | Authors: | Kudo, N, Ito, A, Yoshida, M. | | Deposit date: | 2017-07-19 | | Release date: | 2018-07-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of a novel small molecule that inhibits deacetylase but not defatty-acylase reaction catalysed by SIRT2.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
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5AYF
 | | Crystal structure of SET7/9 in complex with cyproheptadine | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dibenzo[1,2-a:2',1'-d][7]annulen-11-ylidene)-1-methyl-piperidine, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Niwa, H, Handa, N, Takemoto, Y, Ito, A, Tomabechi, Y, Umehara, T, Shirouzu, M, Yoshida, M, Yokoyama, S. | | Deposit date: | 2015-08-20 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.005 Å) | | Cite: | Identification of Cyproheptadine as an Inhibitor of SET Domain Containing Lysine Methyltransferase 7/9 (Set7/9) That Regulates Estrogen-Dependent Transcription
J.Med.Chem., 59, 2016
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5YLT
 | | Crystal structure of SET7/9 in complex with a cyproheptadine derivative | | Descriptor: | 2-(1-methylpiperidin-4-ylidene)tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-6-ol, GLYCEROL, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Hirano, T, Fujiwara, T, Niwa, H, Hirano, M, Ohira, K, Okazaki, Y, Sato, S, Umehara, T, Maemoto, Y, Ito, A, Yoshida, M, Kagechika, H. | | Deposit date: | 2017-10-19 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Development of Novel Inhibitors for Histone Methyltransferase SET7/9 based on Cyproheptadine.
ChemMedChem, 13, 2018
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9C61
 | | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 | | Descriptor: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION | | Authors: | Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2024-06-07 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
To be published
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9BHS
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN LIGAND | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-21 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-9939 compound
To be published
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9C1Q
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2024-05-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
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9BCZ
 | | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Edwards, M.M, Dong, A, Theo-Emegano, N, Seitova, A, Loppnau, P, Leung, R, Li, H, Ilyassov, O, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | | Deposit date: | 2024-04-10 | | Release date: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Chicken 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase zeta-1 (PLCZ1) in complex with calcium and phosphorylated threonine
To be published
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