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8E4Y
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BU of 8e4y by Molmil
Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with 2-oxohexadecyl-CoA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, Glycerol-3-phosphate acyltransferase 1, mitochondrial, ...
著者Johnson, Z.L, Wasilko, D.J, Ammirati, M, Chang, J.S, Han, S, Wu, H.
登録日2022-08-19
公開日2022-12-21
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
8E50
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Cryo-EM structure of human glycerol-3-phosphate acyltransferase 1 (GPAT1) in complex with CoA and palmitoyl-LPA
分子名称: (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate, COENZYME A, Glycerol-3-phosphate acyltransferase 1, ...
著者Wasilko, D.J, Johnson, Z.L, Ammirati, M, Chang, J.S, Han, S, Wu, H.
登録日2022-08-19
公開日2022-12-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structural basis of the acyl-transfer mechanism of human GPAT1.
Nat.Struct.Mol.Biol., 30, 2023
6USF
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BU of 6usf by Molmil
CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor with varenicline in complex with anti-BRIL synthetic antibody BAK5
分子名称: 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, ...
著者Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A.
登録日2019-10-26
公開日2020-04-29
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
6UR8
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BU of 6ur8 by Molmil
CryoEM structure of human alpha4beta2 nicotinic acetylcholine receptor in complex with varenicline
分子名称: 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, ...
著者Alvarez, F.J.D, Mukherjee, S, Han, S, Ammirati, M, Kossiakoff, A.A.
登録日2019-10-22
公開日2020-04-29
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
1NPZ
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BU of 1npz by Molmil
Crystal structures of Cathepsin S inhibitor complexes
分子名称: Cathepsin S, N~2~-(morpholin-4-ylcarbonyl)-N-[(3S)-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]-L-leucinamide
著者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.
登録日2003-01-20
公開日2003-04-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Specificity determinants of human cathepsin s revealed by crystal structures of complexes.
Biochemistry, 42, 2003
1NQC
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BU of 1nqc by Molmil
Crystal structures of Cathepsin S inhibitor complexes
分子名称: Cathepsin S, N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
著者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.
登録日2003-01-21
公開日2003-04-15
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Specificity determinants of human cathepsin s revealed by crystal structures of complexes.
Biochemistry, 42, 2003
6WWZ
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BU of 6wwz by Molmil
Cryo-EM structure of the human chemokine receptor CCR6 in complex with CCL20 and a Go protein
分子名称: 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, ...
著者Wasilko, D.J, Johnson, Z.L, Ammirati, M, Han, S, Wu, H.
登録日2020-05-09
公開日2020-06-24
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献Structural basis for chemokine receptor CCR6 activation by the endogenous protein ligand CCL20.
Nat Commun, 11, 2020
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
著者Lees, J.A, Ammirati, M, Han, S.
登録日2022-03-30
公開日2023-04-19
最終更新日2023-05-10
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7UJ3
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BU of 7uj3 by Molmil
Crystal structure of Human respiratory syncytial virus F variant (construct pXCS847A)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RSV variant (construct pXCS847A) F1, RSV variant (construct pXCS847A) F2, ...
著者Han, S, Ammirati, M.
登録日2022-03-30
公開日2023-04-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
7UJN
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BU of 7ujn by Molmil
Structure of Human SAMHD1 with Non-Hydrolysable dGTP Analog
分子名称: 2'-deoxyguanosine-5'-O-(1-thiotriphosphate), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1
著者Huynh, K.W, Ammirati, M, Han, S.
登録日2022-03-31
公開日2022-07-20
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Phosphorylation of SAMHD1 Thr592 increases C-terminal domain dynamics, tetramer dissociation and ssDNA binding kinetics.
Nucleic Acids Res., 50, 2022
1EXV
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BU of 1exv by Molmil
HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-403,700
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, LIVER GLYCOGEN PHOSPHORYLASE, N-acetyl-beta-D-glucopyranosylamine, ...
著者Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J.
登録日2000-05-04
公開日2000-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human liver glycogen phosphorylase inhibitors bind at a new allosteric site.
Chem.Biol., 7, 2000
1EM6
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HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL, LIVER GLYCOGEN PHOSPHORYLASE, ...
著者Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J.
登録日2000-03-16
公開日2000-11-01
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Human liver glycogen phosphorylase inhibitors bind at a new allosteric site.
Chem.Biol., 7, 2000
1FA9
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BU of 1fa9 by Molmil
HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH AMP
分子名称: ADENOSINE MONOPHOSPHATE, GLYCOGEN PHOSPHORYLASE, LIVER FORM, ...
著者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.
登録日2000-07-12
公開日2000-08-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
1FC0
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BU of 1fc0 by Molmil
HUMAN LIVER GLYCOGEN PHOSPHORYLASE COMPLEXED WITH N-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE
分子名称: GLYCOGEN PHOSPHORYLASE, LIVER FORM, N-acetyl-beta-D-glucopyranosylamine, ...
著者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.
登録日2000-07-17
公開日2000-08-25
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Activation of human liver glycogen phosphorylase by alteration of the secondary structure and packing of the catalytic core.
Mol.Cell, 6, 2000
5DI1
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BU of 5di1 by Molmil
MAP4K4 in complex with an inhibitor
分子名称: 4-{6-amino-5-[4-(methylsulfonyl)phenyl]pyridin-3-yl}phenol, Mitogen-activated protein kinase kinase kinase kinase 4
著者Liu, S.
登録日2015-08-31
公開日2016-01-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Discovery of an in Vivo Tool to Establish Proof-of-Concept for MAP4K4-Based Antidiabetic Treatment.
Acs Med.Chem.Lett., 6, 2015
4NE9
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BU of 4ne9 by Molmil
PCSK9 in complex with LDLR peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Low-density lipoprotein receptor, ...
著者Liu, S.
登録日2013-10-28
公開日2014-09-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of truncated EGF-A peptides that restore LDL-R recycling in the presence of PCSK9 in vitro.
Chem.Biol., 21, 2014
3S41
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Glucokinase in complex with activator and glucose
分子名称: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
著者Liu, S.
登録日2011-05-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献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
6CBV
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BU of 6cbv by Molmil
Crystal structure of BRIL bound to an affinity matured synthetic antibody.
分子名称: BRIL, FORMIC ACID, GLYCEROL, ...
著者Mukherjee, S, Skrobek, B, Kossiakoff, A.A.
登録日2018-02-05
公開日2019-02-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Synthetic antibodies against BRIL as universal fiducial marks for single-particle cryoEM structure determination of membrane proteins.
Nat Commun, 11, 2020
5JPV
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Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactoseamine mimic
分子名称: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
著者Liu, S.
登録日2016-05-04
公開日2017-06-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
5JQ1
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Efficient targeting of the asialoglycoprotein receptor by polyvalent display of a compact galactosamine mimic
分子名称: Asialoglycoprotein receptor 1, CALCIUM ION, CHLORIDE ION, ...
著者Liu, S.
登録日2016-05-04
公開日2017-06-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Efficient Liver Targeting by Polyvalent Display of a Compact Ligand for the Asialoglycoprotein Receptor.
J. Am. Chem. Soc., 139, 2017
2MG9
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Truncated EGF-A
分子名称: CALCIUM ION, Low-density lipoprotein receptor
著者Schroeder, C.I, Rosengren, K.
登録日2013-10-30
公開日2014-04-02
実験手法SOLUTION NMR
主引用文献Design and Synthesis of Truncated EGF-A Peptides that Restore LDL-R Recycling in the Presence of PCSK9 In Vitro.
Chem.Biol., 21, 2014
2RIP
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BU of 2rip by Molmil
Structure of DPPIV in complex with an inhibitor
分子名称: (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, ...
著者Qiu, X.
登録日2007-10-12
公開日2008-03-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
1WUT
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Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes
分子名称: 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID, Glycogen phosphorylase, muscle form, ...
著者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.
登録日2004-12-08
公開日2005-12-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystallographic studies on acyl ureas, a new class of glycogen phosphorylase inhibitors, as potential antidiabetic drugs
Protein Sci., 14, 2005
2C0Y
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THE CRYSTAL STRUCTURE OF A CYS25ALA MUTANT OF HUMAN PROCATHEPSIN S
分子名称: PROCATHEPSIN S
著者Kaulmann, G, Palm, G.J, Schilling, K, Hilgenfeld, R, Wiederanders, B.
登録日2005-09-08
公開日2006-11-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Crystal Structure of a Cys25 -> Ala Mutant of Human Procathepsin S Elucidates Enzyme-Prosequence Interactions.
Protein Sci., 15, 2006
2ATI
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Glycogen Phosphorylase Inhibitors
分子名称: Glycogen phosphorylase, liver form, N-(2-CHLORO-4-FLUOROBENZOYL)-N'-(5-HYDROXY-2-METHOXYPHENYL)UREA, ...
著者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.
登録日2005-08-25
公開日2006-08-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes.
J.Med.Chem., 48, 2005

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