7JWU
 
 | | Crystal structure of human ALDH1A1 bound to compound (R)-28 | | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Hurley, T.D, Buchman, C. | | Deposit date: | 2020-08-26 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Eur.J.Med.Chem., 211, 2020
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1PZ3
 | | Crystal structure of a family 51 (GH51) alpha-L-arabinofuranosidase from Geobacillus stearothermophilus T6 | | Descriptor: | Alpha-L-arabinofuranosidase, GLYCEROL | | Authors: | Hoevel, K, Shallom, D, Niefind, K, Belakhov, V, Shoham, G, Baasov, T, Shoham, Y, Schomburg, D. | | Deposit date: | 2003-07-09 | | Release date: | 2003-10-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure and snapshots along the reaction pathway of a family 51 alpha-L-arabinofuranosidase
Embo J., 22, 2003
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1PZZ
 | | Crystal structure of FGF-1, V51N mutant | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | | Authors: | Kim, J, Blaber, M. | | Deposit date: | 2003-07-14 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sequence swapping does not result in conformation swapping for the beta4/beta5 and beta8/beta9 beta-hairpin turns in human acidic fibroblast growth factor
Protein Sci., 14, 2005
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6JPJ
 | | Crystal structure of FGF401 in complex of FGFR4 | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide, SULFATE ION | | Authors: | Zhou, Z, Chen, X, Chen, Y. | | Deposit date: | 2019-03-27 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.638 Å) | | Cite: | Characterization of FGF401 as a reversible covalent inhibitor of fibroblast growth factor receptor 4.
Chem.Commun.(Camb.), 55, 2019
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4J5Q
 | | TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure | | Descriptor: | O-acetyl-ADP-ribose deacetylase 1 | | Authors: | Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S. | | Deposit date: | 2013-02-09 | | Release date: | 2013-03-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
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1M3X
 | | Photosynthetic Reaction Center From Rhodobacter Sphaeroides | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ... | | Authors: | Camara-Artigas, A, Brune, D, Allen, J.P. | | Deposit date: | 2002-07-01 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Interactions between lipids and bacterial reaction centers determined by protein crystallography.
Proc.Natl.Acad.Sci.USA, 99, 2002
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4BCO
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | Descriptor: | 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | Deposit date: | 2012-10-02 | | Release date: | 2013-01-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity.
J.Med.Chem., 56, 2013
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7JTV
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1AQZ
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2AL2
 | | Crystal Structure Analysis of Enolase Mg Subunit Complex at pH 8.0 | | Descriptor: | 2-PHOSPHOGLYCERIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Sims, P.A, Menefee, A.L, Larsen, T.M, Mansoorabadi, S.O, Reed, G.H. | | Deposit date: | 2005-08-04 | | Release date: | 2006-01-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and catalytic properties of an engineered heterodimer of enolase composed of one active and one inactive subunit
J.Mol.Biol., 355, 2006
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4QPF
 | | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, [1-fluoro-2-(imidazo[1,2-a]pyridin-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | | Authors: | Ebetino, F.H, Lundy, M, Kwaasi, A.A, Dunford, J.E, Duan, Z, Triffitt, J, Mazur, A, Jeans, G, Barnett, B.L, Russell, R.G.G. | | Deposit date: | 2014-06-23 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | New lower bone affinity bisphosphonate drug design for effective use in diseases characterized by abnormal bone resorption
To be Published
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4E5X
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3N5A
 | | Synaptotagmin-7, C2B-domain, calcium bound | | Descriptor: | CALCIUM ION, Synaptotagmin-7 | | Authors: | Tomchick, D.R, Rizo, J, Craig, T.K. | | Deposit date: | 2010-05-24 | | Release date: | 2010-09-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.441 Å) | | Cite: | Structural and mutational analysis of functional differentiation between synaptotagmins-1 and -7.
Plos One, 5, 2010
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5POA
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10186a | | Descriptor: | 1,2-ETHANEDIOL, 2-[5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]pyridine, Bromodomain-containing protein 1, ... | | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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3MTU
 | | Structure of the Tropomyosin Overlap Complex from Chicken Smooth Muscle | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Capsid assembly scaffolding protein,Tropomyosin alpha-1 chain, ... | | Authors: | Klenchin, V.A, Frye, J, Rayment, I. | | Deposit date: | 2010-04-30 | | Release date: | 2010-06-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the tropomyosin overlap complex from chicken smooth muscle: insight into the diversity of N-terminal recognition .
Biochemistry, 49, 2010
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1Q04
 | | Crystal structure of FGF-1, S50E/V51N | | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1 | | Authors: | Kim, J, Blaber, M. | | Deposit date: | 2003-07-15 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Sequence swapping does not result in conformation swapping for the beta4/beta5 and beta8/beta9 beta-hairpin turns in human acidic fibroblast growth factor
Protein Sci., 14, 2005
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3C1K
 | | Crystal structure of thrombin in complex with inhibitor 15 | | Descriptor: | 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, Hirugen, Prothrombin | | Authors: | Yan, Y. | | Deposit date: | 2008-01-23 | | Release date: | 2008-03-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
Bioorg.Med.Chem.Lett., 18, 2008
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4ED5
 | | Crystal structure of the two N-terminal RRM domains of HuR complexed with RNA | | Descriptor: | 1,2-ETHANEDIOL, 1-METHOXY-2-(2-METHOXYETHOXY)ETHANE, 5'-R(*A*UP*UP*UP*UP*UP*AP*UP*UP*UP*U)-3', ... | | Authors: | Wang, H, Zeng, F, Liu, Q, Niu, L, Teng, M, Li, X. | | Deposit date: | 2012-03-27 | | Release date: | 2012-05-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of the ARE-binding domains of Hu antigen R (HuR) undergoes conformational changes during RNA binding.
Acta Crystallogr.,Sect.D, 69, 2013
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6JR7
 | | Flavobacterium johnsoniae GH31 dextranase, FjDex31A, complexed with glucose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Candidate alpha-glycosidase Glycoside hydrolase family 31, ... | | Authors: | Tonozuka, T. | | Deposit date: | 2019-04-02 | | Release date: | 2019-04-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural insights into polysaccharide recognition by Flavobacterium johnsoniae dextranase, a member of glycoside hydrolase family 31.
Febs J., 287, 2020
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3MY0
 | | Crystal structure of the ACVRL1 (ALK1) kinase domain bound to LDN-193189 | | Descriptor: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Serine/threonine-protein kinase receptor R3 | | Authors: | Chaikuad, A, Alfano, I, Cooper, C, Mahajan, P, Daga, N, Sanvitale, C, Fedorov, O, Petrie, K, Savitsky, P, Gileadi, O, Sethi, R, Krojer, T, Muniz, J.R.C, Pike, A.C.W, Vollmar, M, Carpenter, C.P, Ugochukwu, E, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-08 | | Release date: | 2010-07-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A small molecule targeting ALK1 prevents Notch cooperativity and inhibits functional angiogenesis.
Angiogenesis, 18, 2015
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7K6E
 | | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.63 A Resolution (Direct Vitrification) | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-19 | | Release date: | 2020-09-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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5GJR
 | | An atomic structure of the human 26S proteasome | | Descriptor: | 26S protease regulatory subunit 10B, 26S protease regulatory subunit 4, 26S protease regulatory subunit 6A, ... | | Authors: | Huang, X.L, Luan, B, Wu, J.P, Shi, Y.G. | | Deposit date: | 2016-07-01 | | Release date: | 2016-09-07 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | An atomic structure of the human 26S proteasome.
Nat. Struct. Mol. Biol., 23, 2016
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5RYW
 | | EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434829 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ... | | Authors: | Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | EPB41L3 PanDDA analysis group deposition
To Be Published
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4JOA
 | | Crystal Structure of Human Anaplastic Lymphoma Kinase in complex with 7-azaindole based inhibitor | | Descriptor: | 3-[1-(2,5-difluorobenzyl)-1H-pyrazol-4-yl]-5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, ALK tyrosine kinase receptor | | Authors: | Hosahalli, S, Krishnamurthy, N.R, Lakshminarasimhan, A. | | Deposit date: | 2013-03-18 | | Release date: | 2013-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode
Bioorg.Med.Chem.Lett., 23, 2013
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3W13
 | | Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | | Authors: | Lawrence, M.C, Smith, B.J, Brzozowski, A.M. | | Deposit date: | 2012-11-06 | | Release date: | 2013-01-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (4.303 Å) | | Cite: | How insulin engages its primary binding site on the insulin receptor
Nature, 493, 2013
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