8E4Y
| Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ... | Authors: | Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H. | Deposit date: | 2022-08-19 | Release date: | 2022-12-21 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of the acyl-transfer mechanism of human GPAT1. Nat.Struct.Mol.Biol., 30, 2023
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8E50
| Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA | Descriptor: | (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ... | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H. | Deposit date: | 2022-08-19 | Release date: | 2022-12-21 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.67 Å) | Cite: | Structural basis of the acyl-transfer mechanism of human GPAT1. Nat.Struct.Mol.Biol., 30, 2023
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6WWZ
| Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein | Descriptor: | C-C chemokine receptor type 6,C-C chemokine receptor type 6, C-C motif chemokine 20, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H. | Deposit date: | 2020-05-09 | Release date: | 2020-06-24 | Last modified: | 2020-07-01 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20. Nat Commun, 11, 2020
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6USF
| CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, ... | Authors: | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | Deposit date: | 2019-10-26 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.87 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
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6UR8
| CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Chimera of soluble cytochrome b562 (BRIL) and neuronal acetylcholine receptor subunit alpha-4, Neuronal acetylcholine receptor subunit beta-2, ... | Authors: | Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A. | Deposit date: | 2019-10-22 | Release date: | 2020-04-29 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.71 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
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1NQC
| Crystal structures of Cathepsin S inhibitor complexes | Descriptor: | Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Menard, R, Cygler, M, Rath, V.L. | Deposit date: | 2003-01-21 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
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1NPZ
| Crystal structures of Cathepsin S inhibitor complexes | Descriptor: | Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide | Authors: | Pauly, T.A, Sulea, T, Ammirati, M, Sivaraman, J, Danley, D.E, Griffor, M.C, Kamath, A.V, Wang, I.K, Laird, E.R, Seddon, A.P, Menard, R, Cygler, M, Rath, V.L. | Deposit date: | 2003-01-20 | Release date: | 2003-04-15 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Specificity determinants of human cathepsin s revealed
by crystal structures of complexes. Biochemistry, 42, 2003
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7UJN
| Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog | Descriptor: | 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | Authors: | Huynh, K.W, Ammirati, M, Han, S. | Deposit date: | 2022-03-31 | Release date: | 2022-07-20 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (2.89 Å) | Cite: | Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics. Nucleic Acids Res., 50, 2022
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7UJA
| Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ... | Authors: | Lees, J.A, Ammirati, M, Han, S. | Deposit date: | 2022-03-30 | Release date: | 2023-04-19 | Last modified: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine. Sci Transl Med, 15, 2023
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7UJ3
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1FC0
| HUMAN LIVER GLYCOGEN PHOSPHORYLASE COMPLEXED WITH N-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE | Descriptor: | GLYCOGEN PHOSPHORYLASE, LIVER FORM, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.M, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J. | Deposit date: | 2000-07-17 | Release date: | 2000-08-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core. Mol.Cell, 6, 2000
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1FA9
| HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE, LIVER FORM, ... | Authors: | Rath, V.L, Ammirati, M, LeMotte, P.K, Fennell, K.F, Mansour, M.N, Danley, D.E, Hynes, T.R, Schulte, G.K, Wasilko, D.J, Pandit, J. | Deposit date: | 2000-07-12 | Release date: | 2000-08-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core. Mol.Cell, 6, 2000
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1EM6
| HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL, LIVER GLYCOGEN PHOSPHORYLASE, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-03-16 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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1EXV
| HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-403,700 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, LIVER GLYCOGEN PHOSPHORYLASE, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-05-04 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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5DI1
| MAP4K4 in complex with an inhibitor | Descriptor: | 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4 | Authors: | Liu, S. | Deposit date: | 2015-08-31 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment. Acs Med.Chem.Lett., 6, 2015
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6CBV
| Crystal structure of BRIL bound to an affinity matured synthetic antibody. | Descriptor: | BRIL, FORMIC ACID, GLYCEROL, ... | Authors: | Mukherjee, S, Skrobek, B, Kossiakoff, A.A. | Deposit date: | 2018-02-05 | Release date: | 2019-02-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins. Nat Commun, 11, 2020
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4NE9
| PCSK9 in complex with LDLR peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor, ... | Authors: | Liu, S. | Deposit date: | 2013-10-28 | Release date: | 2014-09-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro. Chem.Biol., 21, 2014
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5JPV
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5JQ1
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2MG9
| Truncated EGF-A | Descriptor: | CALCIUM ION, Low-density lipoprotein receptor | Authors: | Schroeder, C.I, Rosengren, K. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Method: | SOLUTION NMR | Cite: | Design and Synthesis of Truncated EGF-A Peptides that Restore LDL-R Recycling in the Presence of PCSK9 In Vitro. Chem.Biol., 21, 2014
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3S41
| Glucokinase in complex with activator and glucose | Descriptor: | Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ... | Authors: | Liu, S. | Deposit date: | 2011-05-18 | Release date: | 2011-09-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus MEDCHEMCOMM, 2, 2011
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2RIP
| Structure of DPPIV in complex with an inhibitor | Descriptor: | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)-1-(quinoxalin-2-ylcarbonyl)pyrrolidin-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Qiu, X. | Deposit date: | 2007-10-12 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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1WUT
| Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes | Descriptor: | 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ... | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.-J, Herling, A.W, Oikonomakos, N.G, Kosmopoulou, M.N, Schmoll, D, Sarubbi, E, von Roedern, E, Schonafinger, K, Defossa, E. | Deposit date: | 2004-12-08 | Release date: | 2005-12-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs Protein Sci., 14, 2005
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2C0Y
| THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S | Descriptor: | PROCATHEPSIN S | Authors: | Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B. | Deposit date: | 2005-09-08 | Release date: | 2006-11-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions. Protein Sci., 15, 2006
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2ATI
| Glycogen Phosphorylase Inhibitors | Descriptor: | Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ... | Authors: | Klabunde, T, Wendt, K.U, Kadereit, D, Brachvogel, V, Burger, H.J, Herling, A.W, Oikonomakos, N.G, Schmoll, D, Sarubbi, E, von Roedern, E, Schoenafinger, K, Defossa, E. | Deposit date: | 2005-08-25 | Release date: | 2006-08-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. J.Med.Chem., 48, 2005
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