1O1U
 
 | | human ileal lipid-binding protein (ILBP) in free form | | Descriptor: | Gastrotropin | | Authors: | Kurz, M, Brachvogel, V, Matter, H, Stengelin, S, Thuering, H, Kramer, W. | | Deposit date: | 2003-02-10 | | Release date: | 2003-02-25 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and its comparison with homologous structures.
Proteins, 50, 2003
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1U3V
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1IG5
 | | BOVINE CALBINDIN D9K BINDING MG2+ | | Descriptor: | MAGNESIUM ION, VITAMIN D-DEPENDENT CALCIUM-BINDING PROTEIN, INTESTINAL | | Authors: | Andersson, E.M, Svensson, L.A. | | Deposit date: | 2001-04-17 | | Release date: | 2001-04-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural basis for the negative allostery between Ca(2+)- and Mg(2+)-binding in the intracellular Ca(2+)-receptor calbindin D9k.
Protein Sci., 6, 1997
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4DBS
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3'-[(4-nitronaphthalen-1-yl)amino]benzoic acid | | Descriptor: | 3-[(4-nitronaphthalen-1-yl)amino]benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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1XF0
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) complexed with delta4-androstene-3,17-dione and NADP | | Descriptor: | 4-ANDROSTENE-3-17-DIONE, ACETATE ION, Aldo-keto reductase family 1 member C3, ... | | Authors: | Qiu, W, Zhou, M, Labrie, F, Lin, S.-X. | | Deposit date: | 2004-09-13 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the multispecific 17beta-hydroxysteroid dehydrogenase type 5: critical androgen regulation in human peripheral tissues
Mol.Endocrinol., 18, 2004
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1U3U
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4DBU
 | | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 3-((4 -(trifluoromethyl)phenyl)amino)benzoic acid | | Descriptor: | 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Chen, M, Christianson, D.W, Winkler, J.D, Penning, T.M. | | Deposit date: | 2012-01-16 | | Release date: | 2012-03-28 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.528 Å) | | Cite: | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer.
Bioorg.Med.Chem.Lett., 22, 2012
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1O1V
 | | Human Ileal Lipid-Binding Protein (ILBP) in Complex with Cholyltaurine | | Descriptor: | Gastrotropin, TAUROCHOLIC ACID | | Authors: | Kurz, M, Brachvogel, V, Matter, H, Stengelin, S, Thuering, H, Kramer, W. | | Deposit date: | 2003-02-10 | | Release date: | 2003-02-18 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Insights into the bile acid transportation system: the human ileal lipid-binding protein-cholyltaurine complex and
its comparison with homologous structures.
Proteins, 50, 2003
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4GTU
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1POS
 | | CRYSTAL STRUCTURE OF A NOVEL DISULFIDE-LINKED "TREFOIL" MOTIF FOUND IN A LARGE FAMILY OF PUTATIVE GROWTH FACTORS | | Descriptor: | PORCINE PANCREATIC SPASMOLYTIC POLYPEPTIDE | | Authors: | De, A, Brown, D, Gorman, M, Carr, M, Sanderson, M.R, Freemont, P.S. | | Deposit date: | 1993-10-08 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of a disulfide-linked "trefoil" motif found in a large family of putative growth factors.
Proc.Natl.Acad.Sci.USA, 91, 1994
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1L1Q
 | | Crystal Structure of APRTase from Giardia lamblia Complexed with 9-deazaadenine | | Descriptor: | 9-DEAZAADENINE, Adenine phosphoribosyltransferase, SULFATE ION | | Authors: | Shi, W, Sarver, A.E, Wang, C.C, Tanaka, K.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2002-02-19 | | Release date: | 2002-11-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia
Reveal a Mechanism of Ribosyl Migration.
J.Biol.Chem., 277, 2002
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1L1R
 | | Crystal Structure of APRTase from Giardia lamblia Complexed with 9-deazaadenine, Mg2+ and PRPP | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 9-DEAZAADENINE, Adenine phosphoribosyltransferase, ... | | Authors: | Shi, W, Sarver, A.E, Wang, C.C, Tanaka, K.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2002-02-19 | | Release date: | 2002-11-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Closed Site Complexes of Adenine Phosphoribosyltransferase from Giardia lamblia
Reveal a Mechanism of Ribosyl Migration.
J.Biol.Chem., 277, 2002
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5C7J
 | | CRYSTAL STRUCTURE OF NEDD4 WITH A UB VARIANT | | Descriptor: | E3 ubiquitin-protein ligase NEDD4, Polyubiquitin-C | | Authors: | Walker, J.R, Hu, J, Dong, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-06-24 | | Release date: | 2016-03-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | System-Wide Modulation of HECT E3 Ligases with Selective Ubiquitin Variant Probes.
Mol.Cell, 62, 2016
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3GRF
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4XEJ
 | | IRES bound to bacterial Ribosome | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Zhu, J, Korostelev, A, Noller, H.F, Donohue, J.P. | | Deposit date: | 2014-12-23 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Initiation of translation in bacteria by a structured eukaryotic IRES RNA.
Nature, 519, 2015
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8KHW
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8PQE
 | | c-KIT kinase domain in complex with avapritinib derivative 11 | | Descriptor: | 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... | | Authors: | Teuber, A, Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQC
 | | c-KIT kinase domain in complex with avapritinib derivative 9 | | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, Mast/stem cell growth factor receptor Kit | | Authors: | Teuber, A, Kleinboelting, S.B, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQH
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib | | Descriptor: | Avapritinib, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQI
 | | PDGFRA T674I mutant kinase domain in complex with avapritinib derivative 9 | | Descriptor: | (1~{S})-~{N}-ethyl-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanamine, DI(HYDROXYETHYL)ETHER, Platelet-derived growth factor receptor alpha | | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQJ
 | | PDGFRA wild-type kinase domain | | Descriptor: | Platelet-derived growth factor receptor alpha | | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQ9
 | | c-KIT kinase domain in complex with avapritinib | | Descriptor: | Avapritinib, Mast/stem cell growth factor receptor Kit, SULFATE ION | | Authors: | Teuber, A, Kleinboelting, S, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQG
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8PQA
 | | c-KIT kinase domain in complex with avapritinib derivative 4 | | Descriptor: | 6-(1-methylpyrazol-4-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolo[2,1-f][1,2,4]triazine, Mast/stem cell growth factor receptor Kit | | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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8PQF
 | | c-KIT kinase domain in complex with avapritinib derivative 12 | | Descriptor: | Mast/stem cell growth factor receptor Kit, methyl ~{N}-[(1~{S})-1-(4-fluorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethyl]carbamate | | Authors: | Teuber, A, Mueller, M.P, Rauh, D. | | Deposit date: | 2023-07-11 | | Release date: | 2023-12-27 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Avapritinib-based SAR studies unveil a binding pocket in KIT and PDGFRA.
Nat Commun, 15, 2024
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