1FC0
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![BU of 1fc0 by Molmil](/molmil-images/mine/1fc0) | 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
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1FA9
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![BU of 1fa9 by Molmil](/molmil-images/mine/1fa9) | 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
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5KRE
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![BU of 5kre by Molmil](/molmil-images/mine/5kre) | Covalent inhibitor of LYPLAL1 | 分子名称: | (2~{R})-2-phenylpiperidine-1-carbaldehyde, Lysophospholipase-like protein 1, NITRATE ION | 著者 | Pandit, J. | 登録日 | 2016-07-07 | 公開日 | 2016-07-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a Selective Covalent Inhibitor of Lysophospholipase-like 1 (LYPLAL1) as a Tool to Evaluate the Role of this Serine Hydrolase in Metabolism. Acs Chem.Biol., 11, 2016
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8E4Y
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![BU of 8e4y by Molmil](/molmil-images/mine/8e4y) | 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
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8E50
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![BU of 8e50 by Molmil](/molmil-images/mine/8e50) | 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
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8TB7
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![BU of 8tb7 by Molmil](/molmil-images/mine/8tb7) | Cryo-EM Structure of GPR61- | 分子名称: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | 著者 | Lees, J.A, Dias, J.M, Han, S. | 登録日 | 2023-06-28 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (2.94 Å) | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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8TB0
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![BU of 8tb0 by Molmil](/molmil-images/mine/8tb0) | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | 分子名称: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | 著者 | Lees, J.A, Dias, J.M, Han, S. | 登録日 | 2023-06-28 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.47 Å) | 主引用文献 | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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8DKB
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![BU of 8dkb by Molmil](/molmil-images/mine/8dkb) | |
3ITM
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![BU of 3itm by Molmil](/molmil-images/mine/3itm) | Catalytic domain of hPDE2A | 分子名称: | ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase | 著者 | Pandit, J. | 登録日 | 2009-08-28 | 公開日 | 2009-10-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct. Proc.Natl.Acad.Sci.USA, 106, 2009
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3IBJ
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![BU of 3ibj by Molmil](/molmil-images/mine/3ibj) | X-ray structure of PDE2A | 分子名称: | MAGNESIUM ION, ZINC ION, cGMP-dependent 3',5'-cyclic phosphodiesterase | 著者 | Pandit, J. | 登録日 | 2009-07-16 | 公開日 | 2009-10-27 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct. Proc.Natl.Acad.Sci.USA, 106, 2009
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3ITU
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![BU of 3itu by Molmil](/molmil-images/mine/3itu) | hPDE2A catalytic domain complexed with IBMX | 分子名称: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J. | 登録日 | 2009-08-28 | 公開日 | 2009-10-27 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Mechanism for the allosteric regulation of phosphodiesterase 2A deduced from the X-ray structure of a near full-length construct. Proc.Natl.Acad.Sci.USA, 106, 2009
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6USF
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![BU of 6usf by Molmil](/molmil-images/mine/6usf) | 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
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6UR8
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![BU of 6ur8 by Molmil](/molmil-images/mine/6ur8) | 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
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6CBV
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![BU of 6cbv by Molmil](/molmil-images/mine/6cbv) | 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
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6CN5
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6CN6
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![BU of 6cn6 by Molmil](/molmil-images/mine/6cn6) | RORC2 LBD complexed with compound 34 | 分子名称: | 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide, Nuclear receptor ROR-gamma | 著者 | Kauppi, B, Vajdos, F. | 登録日 | 2018-03-07 | 公開日 | 2018-09-05 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist. J. Med. Chem., 61, 2018
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3QPP
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![BU of 3qpp by Molmil](/molmil-images/mine/3qpp) | Structure of PDE10-inhibitor complex | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2011-02-14 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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3QPO
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![BU of 3qpo by Molmil](/molmil-images/mine/3qpo) | Structure of PDE10-inhibitor complex | 分子名称: | 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2011-02-14 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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3QPN
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![BU of 3qpn by Molmil](/molmil-images/mine/3qpn) | Structure of PDE10-inhibitor complex | 分子名称: | 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2011-02-14 | 公開日 | 2011-06-15 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia. J.Med.Chem., 54, 2011
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4Q9O
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![BU of 4q9o by Molmil](/molmil-images/mine/4q9o) | Crystal structure of Upps + inhibitor | 分子名称: | 3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide, Isoprenyl transferase, SULFATE ION | 著者 | Liu, S, Qiu, X. | 登録日 | 2014-05-01 | 公開日 | 2014-10-15 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery and structural characterization of an allosteric inhibitor of bacterial cis-prenyltransferase. Protein Sci., 24, 2015
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4Q9M
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![BU of 4q9m by Molmil](/molmil-images/mine/4q9m) | |
5U7J
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![BU of 5u7j by Molmil](/molmil-images/mine/5u7j) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 5-[2-(2-methoxyphenyl)ethoxy]-3-(2-methylpropyl)[1,2,4]triazolo[4,3-a]pyrazine, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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5U7D
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![BU of 5u7d by Molmil](/molmil-images/mine/5u7d) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 2-(3,4-dimethoxybenzyl)-7-[(2R,3R)-2-hydroxy-6-phenylhexan-3-yl]-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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5U7I
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![BU of 5u7i by Molmil](/molmil-images/mine/5u7i) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | 4-[3-(4-methoxyphenoxy)azetidin-1-yl]-1-methyl-3-(2-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidine, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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5U7L
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![BU of 5u7l by Molmil](/molmil-images/mine/5u7l) | PDE2 catalytic domain complexed with inhibitors | 分子名称: | (3R)-1-{3-[5-(4-ethylphenyl)-1-methyl-1H-pyrazol-4-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amine, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Parris, K. | 登録日 | 2016-12-12 | 公開日 | 2017-06-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. J. Med. Chem., 60, 2017
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