6DHC
 
 | | X-ray structure of BACE1 in complex with a bicyclic isoxazoline carboxamide as the P3 ligand | | Descriptor: | (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide, Beta-secretase 1, GLYCEROL, ... | | Authors: | Mesecar, A.D, Lendy, E.K. | | Deposit date: | 2018-05-19 | | Release date: | 2018-07-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Design, synthesis, X-ray studies, and biological evaluation of novel BACE1 inhibitors with bicyclic isoxazoline carboxamides as the P3 ligand.
Bioorg. Med. Chem. Lett., 28, 2018
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1BML
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4FF5
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5EDS
 | | Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5 | | Descriptor: | 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2015-10-21 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.
J.Med.Chem., 59, 2016
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4HGS
 | | Crystal structure of ck1gs with compound 13 | | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3 | | Authors: | Huang, X. | | Deposit date: | 2012-10-08 | | Release date: | 2012-11-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of ck1gs with compound 13
Acs Med.Chem.Lett
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1C4P
 | | BETA DOMAIN OF STREPTOKINASE | | Descriptor: | PROTEIN (STREPTOKINASE) | | Authors: | Wang, X, Zhang, X.C. | | Deposit date: | 1999-09-15 | | Release date: | 1999-10-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of streptokinase beta-domain.
FEBS Lett., 459, 1999
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4EAX
 | | Mouse NGF in complex with Lyso-PS | | Descriptor: | Beta-nerve growth factor, O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine | | Authors: | Jiang, T, Tong, Q. | | Deposit date: | 2012-03-23 | | Release date: | 2012-09-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and functional insights into lipid-bound nerve growth factors
Faseb J., 26, 2012
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1AQL
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1AKN
 | | STRUCTURE OF BILE-SALT ACTIVATED LIPASE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BILE-SALT ACTIVATED LIPASE | | Authors: | Wang, X, Zhang, X. | | Deposit date: | 1997-05-23 | | Release date: | 1998-05-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of bovine bile salt activated lipase: insights into the bile salt activation mechanism.
Structure, 5, 1997
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1SJJ
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5V0N
 | | BACE1 in complex with inhibitor 5g | | Descriptor: | Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ... | | Authors: | Mesecar, A, Ghosh, A, Yen, Y.-C. | | Deposit date: | 2017-02-28 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.155 Å) | | Cite: | Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017
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3ER5
 | | THE ACTIVE SITE OF ASPARTIC PROTEINASES | | Descriptor: | ENDOTHIAPEPSIN, H-189 | | Authors: | Bailey, D, Veerapandian, B, Cooper, J, Szelke, M, Blundell, T.L. | | Deposit date: | 1991-01-05 | | Release date: | 1991-04-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray-crystallographic studies of complexes of pepstatin A and a statine-containing human renin inhibitor with endothiapepsin.
Biochem.J., 289 ( Pt 2), 1993
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5WRV
 | | Complex structure of human SRP72/SRP68 | | Descriptor: | ACETATE ION, GLYCEROL, SODIUM ION, ... | | Authors: | Gao, Y, Chen, Z. | | Deposit date: | 2016-12-04 | | Release date: | 2017-06-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Human apo-SRP72 and SRP68/72 complex structures reveal the molecular basis of protein translocation
J Mol Cell Biol, 9, 2017
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1G1T
 | | CRYSTAL STRUCTURE OF E-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH SLEX | | Descriptor: | CALCIUM ION, E-SELECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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3ER3
 | | The active site of aspartic proteinases | | Descriptor: | 6-ammonio-N-[(2R,4R,5R)-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-6-cyclohexyl-4-hydroxy-2-(2-methylpropyl)hexanoyl]-L-norleucylphenylalanine, ENDOTHIAPEPSIN | | Authors: | Al-Karadaghi, S, Cooper, J.B, Veerapandian, B, Hoover, D, Blundell, T.L. | | Deposit date: | 1991-01-02 | | Release date: | 1991-04-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
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1G1R
 | | Crystal structure of P-selectin lectin/EGF domains complexed with SLeX | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, ... | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1G1Q
 | | Crystal structure of P-selectin lectin/EGF domains | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, P-SELECTIN | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1G1S
 | | P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ... | | Authors: | Somers, W.S, Camphausen, R.T. | | Deposit date: | 2000-10-13 | | Release date: | 2001-10-13 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1.
Cell(Cambridge,Mass.), 103, 2000
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1PY1
 | | Complex of GGA1-VHS domain and beta-secretase C-terminal phosphopeptide | | Descriptor: | ADP-ribosylation factor binding protein GGA1, Beta-secretase | | Authors: | Zhu, G, Zhang, X.C. | | Deposit date: | 2003-07-07 | | Release date: | 2003-11-04 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Biochemical and structural characterization of the interaction of memapsin 2 (beta-secretase)
cytosolic domain with the VHS domain of GGA proteins.
Biochemistry, 42, 2003
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5ER2
 | | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor. the analysis of the inhibitor binding and description of the rigid body shift in the enzyme | | Descriptor: | 6-ammonio-N-{[(2R,3R)-3-{[N-(tert-butoxycarbonyl)-L-phenylalanyl-3-(1H-imidazol-3-ium-4-yl)-L-alanyl]amino}-4-cyclohexyl-2-hydroxybutyl](2-methylpropyl)carbamoyl}-L-norleucyl-L-phenylalanine, ENDOTHIAPEPSIN | | Authors: | Sali, A, Veerapandian, B, Cooper, J.B, Foundling, S.I, Hoover, D.J, Blundell, T.L. | | Deposit date: | 1991-01-02 | | Release date: | 1991-04-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-resolution X-ray diffraction study of the complex between endothiapepsin and an oligopeptide inhibitor: the analysis of the inhibitor binding and description of the rigid body shift in the enzyme.
EMBO J., 8, 1989
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1MHQ
 | | Crystal Structure Of Human GGA2 VHS Domain | | Descriptor: | ADP-ribosylation factor binding protein GGA2 | | Authors: | Zhu, G, Zhang, X.C. | | Deposit date: | 2002-08-20 | | Release date: | 2003-03-11 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of GGA2 VHS domain and its implication in plasticity in the ligand binding pocket
FEBS LETT., 537, 2003
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4DOU
 | | Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain | | Descriptor: | 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ... | | Authors: | Min, X, Walker, N.P, Wang, Z. | | Deposit date: | 2012-02-10 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a single-chain trimer of human adiponectin globular domain.
Febs Lett., 586, 2012
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4ER4
 | | HIGH-RESOLUTION X-RAY ANALYSES OF RENIN INHIBITOR-ASPARTIC PROTEINASE COMPLEXES | | Descriptor: | ENDOTHIAPEPSIN, H-142 | | Authors: | Foundling, S.I, Watson, F.E, Szelke, M, Blundell, T.L. | | Deposit date: | 1991-01-05 | | Release date: | 1991-04-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes.
Nature, 327, 1987
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3S2A
 | | Crystal structure of PI3K-gamma in complex with a quinoline inhibitor | | Descriptor: | N-{2-chloro-5-[4-(morpholin-4-yl)quinolin-6-yl]pyridin-3-yl}-4-fluorobenzenesulfonamide, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | | Authors: | Whittington, D.A, Tang, J, Yakowec, P. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Phospshoinositide 3-Kinase (PI3K)/Mammalian Target of Rapamycin (mTOR) Dual Inhibitors: Discovery and Structure-Activity Relationships of a Series of Quinoline and Quinoxaline Derivatives.
J.Med.Chem., 54, 2011
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4APE
 | | THE ACTIVE SITE OF ASPARTIC PROTEINASES | | Descriptor: | ENDOTHIAPEPSIN | | Authors: | Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L. | | Deposit date: | 1986-06-09 | | Release date: | 1986-07-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
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