4HEU
 
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1QXC
 | | NMR structure of the fragment 25-35 of beta amyloid peptide in 20/80 v:v hexafluoroisopropanol/water mixture | | Descriptor: | 11-mer peptide from Amyloid beta A4 protein | | Authors: | D'Ursi, A.M, Armenante, M.R, Guerrini, R, Salvadori, S, Sorrentino, G, Picone, D. | | Deposit date: | 2003-09-05 | | Release date: | 2004-09-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of amyloid beta-peptide (25-35) in different media
J.Med.Chem., 47, 2004
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1QWP
 | | NMR analysis of 25-35 fragment of beta amyloid peptide | | Descriptor: | 11-mer peptide from Amyloid beta A4 protein | | Authors: | D'Ursi, A.M, Armenante, M.R, Guerrini, R, Salvadori, S, Sorrentino, G, Picone, D. | | Deposit date: | 2003-09-03 | | Release date: | 2004-09-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of amyloid beta-peptide (25-35) in different media
J.Med.Chem., 47, 2004
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1QYT
 | | Solution structure of fragment (25-35) of beta amyloid peptide in SDS micellar solution | | Descriptor: | 11-mer peptide from Amyloid beta A4 protein | | Authors: | D'Ursi, A.M, Armenante, M.R, Guerrini, R, Salvadori, S, Sorrentino, G, Picone, D. | | Deposit date: | 2003-09-12 | | Release date: | 2004-12-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of amyloid beta-peptide (25-35) in different media
J.Med.Chem., 47, 2004
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2FDP
 | | Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor | | Descriptor: | Beta-secretase 1, N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | | Authors: | Yang, W, Lu, W, Lu, Y, Zhong, M, Sun, J, Thomas, A.E, Wilkinson, J.M, Fucini, R.V, Lam, M, Randal, M, Shi, X.P, Jacobs, J.W, McDowell, R.S, Gordon, E.M, Ballinger, M.D. | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.
J.Med.Chem., 49, 2006
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2FQO
 | | Crystal structure of B. subtilis LuxS in complex with (2S)-2-Amino-4-[(2R,3R)-2,3-dihydroxy-3-N- hydroxycarbamoyl-propylmercapto]butyric acid | | Descriptor: | (2S)-2-AMINO-4-[(2R,3R)-2,3-DIHYDROXY-3-N-HYDROXYCARBAMOYL-PROPYLMERCAPTO]BUTYRIC ACID, COBALT (II) ION, S-ribosylhomocysteine lyase, ... | | Authors: | Shen, G, Rajan, R, Zhu, J, Bell, C.E, Pei, D. | | Deposit date: | 2006-01-18 | | Release date: | 2006-05-30 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Design and Synthesis of Substrate and Intermediate Analogue Inhibitors of S-Ribosylhomocysteinase
J.Med.Chem., 49, 2006
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2Z4B
 | | Estrogen receptor beta ligand-binding domain complexed to a benzopyran ligand | | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor beta | | Authors: | Wang, Y. | | Deposit date: | 2007-06-14 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: Synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
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3WQR
 | | Crystal structure of pfdxr complexed with inhibitor-12 | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplast, CALCIUM ION, ... | | Authors: | Tanaka, N, Umeda, T. | | Deposit date: | 2014-01-31 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.
J.Med.Chem., 57, 2014
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1TOW
 | | Crystal structure of human adipocyte fatty acid binding protein in complex with a carboxylic acid ligand | | Descriptor: | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID, Fatty acid-binding protein, adipocyte | | Authors: | Lehmann, F, Haile, S, Axen, E, Medina, C, Uppenberg, J, Svensson, S, Lundback, T, Rondahl, L, Barf, T. | | Deposit date: | 2004-06-15 | | Release date: | 2004-08-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target.
Bioorg.Med.Chem.Lett., 14, 2004
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2Q70
 | | Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand | | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | | Authors: | Wang, Y. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
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7YG3
 | | Crystal structure of HLA-B*13:01 | | Descriptor: | ARG-GLN-ASP-ILE-LEU-ASP-LEU-TRP-ILE, Beta-2-microglobulin, MHC class I antigen | | Authors: | Wang, H.S, Ouyang, S.Y. | | Deposit date: | 2022-07-11 | | Release date: | 2023-07-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional and structural characteristics of HLA-B*13:01-mediated specific T cells reaction in dapsone-induced drug hypersensitivity.
J.Biomed.Sci., 29, 2022
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4JV9
 | | Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one | | Descriptor: | (2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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4JV7
 | | Co-crystal structure of MDM2 with inhibitor (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one | | Descriptor: | (2S,5R,6S)-2-benzyl-5,6-bis(4-bromophenyl)-4-methylmorpholin-3-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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4JVR
 | | Co-crystal structure of MDM2 with inhibitor (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide | | Descriptor: | (2'S,3R,4'S,5'R)-N-(2-aminoethyl)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-26 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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4JVE
 | | Co-crystal structure of MDM2 with inhibitor (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid | | Descriptor: | (2R,3E)-2-[(2S,3R,6S)-2,3-bis(4-chlorophenyl)-6-(4-fluorobenzyl)-5-oxomorpholin-4-yl]pent-3-enoic acid, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Huang, X, Gonzalez-Lopez de Turiso, F, Sun, D, Yosup, R, Bartberger, M.D, Beck, H.P, Cannon, J, Shaffer, P, Oliner, J.D, Olson, S.H, Medina, J.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-01 | | Last modified: | 2013-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
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1YKE
 | | Structure of the mediator MED7/MED21 subcomplex | | Descriptor: | RNA polymerase II holoenzyme component SRB7, RNA polymerase II mediator complex protein MED7 | | Authors: | Baumli, S, Hoeppner, S, Cramer, P. | | Deposit date: | 2005-01-18 | | Release date: | 2005-02-22 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | A conserved mediator hinge revealed in the structure of the MED7.MED21 (Med7.Srb7) heterodimer.
J.Biol.Chem., 280, 2005
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1YKH
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8EX5
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8EX6
 | | Human S1P transporter Spns2 in an inward-facing open conformation (state 1*) | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
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8EX7
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8EX4
 | | Human S1P transporter Spns2 in an inward-facing open conformation (state 1) | | Descriptor: | (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Sphingosine-1-phosphate transporter SPNS2 | | Authors: | Ahmed, S, Zhao, H, Dai, Y, Lee, C.H. | | Deposit date: | 2022-10-24 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural and functional insights into Spns2-mediated transport of sphingosine-1-phosphate.
Cell, 186, 2023
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8EX8
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2R9C
 | | Calpain 1 proteolytic core inactivated by ZLAK-3001, an alpha-ketoamide | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | | Deposit date: | 2007-09-12 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions.
J.Med.Chem., 51, 2008
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2R9F
 | | Calpain 1 proteolytic core inactivated by ZLAK-3002, an alpha-ketoamide | | Descriptor: | CALCIUM ION, CHLORIDE ION, Calpain-1 catalytic subunit, ... | | Authors: | Qian, J, Campbell, R.L, Davies, P.L. | | Deposit date: | 2007-09-12 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cocrystal structures of primed side-extending alpha-ketoamide inhibitors reveal novel calpain-inhibitor aromatic interactions.
J.Med.Chem., 51, 2008
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4S0U
 | | Crystal structure of NKG2D in complex with ULBP6 | | Descriptor: | NKG2-D type II integral membrane protein, Retinoic acid early transcript 1L protein | | Authors: | Mohammed, F, Willcox, B.E. | | Deposit date: | 2015-01-06 | | Release date: | 2016-04-20 | | Last modified: | 2017-06-14 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | A disease-linked ULBP6 polymorphism inhibits NKG2D-mediated target cell killing by enhancing the stability of NKG2D ligand binding.
Sci Signal, 10, 2017
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