3VX8
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5JGF
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![BU of 5jgf by Molmil](/molmil-images/mine/5jgf) | Crystal structure of mApe1 | Descriptor: | Vacuolar aminopeptidase 1, ZINC ION | Authors: | Noda, N.N, Adachi, W, Inagaki, F. | Deposit date: | 2016-04-20 | Release date: | 2016-06-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural Basis for Receptor-Mediated Selective Autophagy of Aminopeptidase I Aggregates Cell Rep, 16, 2016
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5JHC
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1HJR
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1KY5
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![BU of 1ky5 by Molmil](/molmil-images/mine/1ky5) | D244E mutant S-Adenosylhomocysteine hydrolase refined with noncrystallographic restraints | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3'-OXO-ADENOSINE, S-adenosylhomocysteine hydrolase | Authors: | Takata, Y, Takusagawa, F. | Deposit date: | 2002-02-03 | Release date: | 2002-09-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Catalytic Mechanism of S-adenosylhomocysteine hydrolase. Site-directed
mutagenesis of Asp-130, Lys-185, Asp-189, and Asn-190. J.Biol.Chem., 277, 2002
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8JYG
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![BU of 8jyg by Molmil](/molmil-images/mine/8jyg) | Crystal structure of Human HPSE1 in complex with inhibitor | Descriptor: | (5~{S},6~{R},7~{S},8~{S})-6,7,8-tris(oxidanyl)-2-[2-(3-phenoxyphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mima, M, Fujimoto, N, Imai, Y. | Deposit date: | 2023-07-03 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-based lead optimization to improve potency and selectivity of a novel tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid series of heparanase-1 inhibitor. Bioorg.Med.Chem., 93, 2023
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7PY2
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![BU of 7py2 by Molmil](/molmil-images/mine/7py2) | Structure of pathological TDP-43 filaments from ALS with FTLD | Descriptor: | TAR DNA-binding protein 43 | Authors: | Arseni, D, Hasegawa, H, Murzin, A.G, Kametani, F, Arai, M, Yoshida, M, Falcon, B. | Deposit date: | 2021-10-08 | Release date: | 2021-12-15 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.59 Å) | Cite: | Structure of pathological TDP-43 filaments from ALS with FTLD. Nature, 601, 2022
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5F20
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5F1Z
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6BR3
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![BU of 6br3 by Molmil](/molmil-images/mine/6br3) | Structure of RORgt in complex with a novel inverse agonist TAK-828. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma, {cis-3-[(5R)-5-[(7-fluoro-1,1-dimethyl-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridine-6(5H)-carbonyl]cyclobutyl}acetic acid | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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1NBI
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1NBH
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6BR2
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![BU of 6br2 by Molmil](/molmil-images/mine/6br2) | Structure of RORgt in complex with a novel isoquinoline inverse agonist. | Descriptor: | (1R)-N-(4-tert-butyl-3-fluorophenyl)-6-methoxy-2-[(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Nuclear receptor ROR-gamma | Authors: | Skene, R.J, Hoffman, I. | Deposit date: | 2017-11-29 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Discovery of [ cis-3-({(5 R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1 H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5 H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor gamma t Inverse Agonist. J. Med. Chem., 61, 2018
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1P1B
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![BU of 1p1b by Molmil](/molmil-images/mine/1p1b) | Guanidinoacetate methyltransferase | Descriptor: | Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Komoto, J, Takusagawa, F. | Deposit date: | 2003-04-12 | Release date: | 2003-04-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Monoclinic guanidinoacetate methyltransferase and gadolinium ion-binding characteristics. Acta Crystallogr.,Sect.D, 59, 2003
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2H5L
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![BU of 2h5l by Molmil](/molmil-images/mine/2h5l) | S-Adenosylhomocysteine hydrolase containing NAD and 3-deaza-D-eritadenine | Descriptor: | (2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Yamada, T, Komoto, J, Takusagawa, F. | Deposit date: | 2006-05-26 | Release date: | 2007-04-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and function of eritadenine and its 3-deaza analogues: Potent inhibitors of S-adenosylhomocysteine hydrolase and hypocholesterolemic agents. Biochem.Pharm., 73, 2007
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1P1C
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![BU of 1p1c by Molmil](/molmil-images/mine/1p1c) | Guanidinoacetate Methyltransferase with Gd ion | Descriptor: | GADOLINIUM ION, Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Komoto, J, Takusagawa, F. | Deposit date: | 2003-04-12 | Release date: | 2003-04-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Monoclinic guanidinoacetate methyltransferase and gadolinium ion-binding characteristics. Acta Crystallogr.,Sect.D, 59, 2003
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1KY4
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5H4S
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5F9E
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![BU of 5f9e by Molmil](/molmil-images/mine/5f9e) | Structure of Protein Kinase C theta with compound 10: 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one | Descriptor: | 2,2-dimethyl-7-(2-oxidanylidene-3~{H}-imidazo[4,5-b]pyridin-1-yl)-1-(phenylmethyl)-3~{H}-quinazolin-4-one, Protein kinase C theta type | Authors: | Klein, M. | Deposit date: | 2015-12-09 | Release date: | 2016-05-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC theta inhibitors. Bioorg.Med.Chem., 24, 2016
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1D2C
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![BU of 1d2c by Molmil](/molmil-images/mine/1d2c) | METHYLTRANSFERASE | Descriptor: | PROTEIN (GLYCINE N-METHYLTRANSFERASE) | Authors: | Huang, Y, Takusagawa, F. | Deposit date: | 1999-09-23 | Release date: | 1999-10-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanisms for auto-inhibition and forced product release in glycine N-methyltransferase: crystal structures of wild-type, mutant R175K and S-adenosylhomocysteine-bound R175K enzymes. J.Mol.Biol., 298, 2000
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1D2G
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![BU of 1d2g by Molmil](/molmil-images/mine/1d2g) | CRYSTAL STRUCTURE OF R175K MUTANT GLYCINE N-METHYLTRANSFERASE FROM RAT LIVER | Descriptor: | GLYCINE N-METHYLTRANSFERASE | Authors: | Huang, Y, Komoto, J, Takusagawa, F, Konishi, K, Takata, Y. | Deposit date: | 1999-10-08 | Release date: | 1999-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanisms for auto-inhibition and forced product release in glycine N-methyltransferase: crystal structures of wild-type, mutant R175K and S-adenosylhomocysteine-bound R175K enzymes. J.Mol.Biol., 298, 2000
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1D2H
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![BU of 1d2h by Molmil](/molmil-images/mine/1d2h) | CRYSTAL STRUCTURE OF R175K MUTANT GLYCINE N-METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLHOMOCYSTEINE | Descriptor: | GLYCINE N-METHYLTRANSFERASE, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Huang, Y, Komoto, J, Takusagawa, F, Konishi, K, Takata, Y. | Deposit date: | 1999-10-11 | Release date: | 1999-10-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Mechanisms for auto-inhibition and forced product release in glycine N-methyltransferase: crystal structures of wild-type, mutant R175K and S-adenosylhomocysteine-bound R175K enzymes. J.Mol.Biol., 298, 2000
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1KHH
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1KMF
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![BU of 1kmf by Molmil](/molmil-images/mine/1kmf) | NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALLO-ILE, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | Descriptor: | Insulin | Authors: | Xu, B, Hua, Q.X, Nakagawa, S.H, Jia, W, Chu, Y.C, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2001-12-14 | Release date: | 2002-01-09 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue. J.Mol.Biol., 316, 2002
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1IWO
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