6IDD
| Crystal structure of H7 hemagglutinin mutant SH1-AVPL ( S138A, G186V, T221P, Q226L) from the influenza virus A/Shanghai/1/2013 (H7N9) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Gao, G.F, Xu, Y, Qi, J.X. | Deposit date: | 2018-09-09 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.383 Å) | Cite: | Avian-to-Human Receptor-Binding Adaptation of Avian H7N9 Influenza Virus Hemagglutinin. Cell Rep, 29, 2019
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6ID2
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6IND
| Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-24 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.872 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMO
| Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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6IMT
| Crystal structure of PDE4D complexed with a novel inhibitor | Descriptor: | (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Su, H.X, Xu, Y.C. | Deposit date: | 2018-10-23 | Release date: | 2019-10-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.483 Å) | Cite: | Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent. J.Med.Chem., 62, 2019
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1T50
| NMR SOLUTION STRUCTURE OF APLYSIA ATTRACTIN | Descriptor: | Attractin | Authors: | Ravindranath, G, Xu, Y, Schein, C.H, Rajaratnam, K, Painter, S.D, Nagle, G.T, Braun, W. | Deposit date: | 2004-04-30 | Release date: | 2004-05-11 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | NMR Solution Structure of Attractin, a Water-Borne Pheromone from the Mollusk Aplysia Attractin Biochemistry, 42, 2003
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1TMW
| Solution structure of Human Coactosin Like Protein D123N | Descriptor: | Coactosin-like protein | Authors: | Dai, H, Wu, J, Xu, Y, Tang, Y, Ding, H, Shi, Y. | Deposit date: | 2004-06-11 | Release date: | 2005-06-28 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Study on Solution Structure and Its binding function to F-actin To be Published
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1U4A
| Solution structure of human SUMO-3 C47S | Descriptor: | Ubiquitin-like protein SMT3A | Authors: | Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y. | Deposit date: | 2004-07-23 | Release date: | 2005-03-08 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9 Biochemistry, 44, 2005
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3P0U
| Crystal Structure of the ligand binding domain of human testicular receptor 4 | Descriptor: | Nuclear receptor subfamily 2 group C member 2 | Authors: | Zhou, X.E, Suino-Powell, K.M, Xu, Y, Chan, C.-W, Kruse, S.W, Reynolds, R, Engel, J.D, Xu, H.E. | Deposit date: | 2010-09-29 | Release date: | 2010-11-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Orphan Nuclear Receptor TR4 Is a Vitamin A-activated Nuclear Receptor. J.Biol.Chem., 286, 2011
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6IF8
| Aeromonas hydrophila MtaN-2 complexed with adenine | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | Authors: | Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y. | Deposit date: | 2018-09-18 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aeromonas hydrophila MtaN-2 complexed with adenine To Be Published
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8K14
| X-ray crystal structure of 18a in BRD4(1) | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | Deposit date: | 2023-07-10 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation. Eur.J.Med.Chem., 263, 2024
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6K28
| Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-05-13 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6JYY
| Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia | Descriptor: | Hydroxyethylthiazole kinase | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-04-29 | Release date: | 2019-06-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6K63
| The crystal structure of cytidine deaminase from Klebsiella pneumoniae | Descriptor: | 1,4-DIETHYLENE DIOXIDE, Cytidine deaminase, ZINC ION | Authors: | Liu, W, Shang, F, Lan, J, Chen, Y, Wang, L, Xu, Y. | Deposit date: | 2019-06-01 | Release date: | 2019-07-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.073 Å) | Cite: | Biochemical and structural analysis of the Klebsiella pneumoniae cytidine deaminase CDA. Biochem.Biophys.Res.Commun., 519, 2019
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6K2Q
| Aeromonas hydrophila MtaN-2 complexed with adenine | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | Authors: | Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y. | Deposit date: | 2019-05-15 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Aeromonas hydrophila Cytoplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase. Biochemistry, 58, 2019
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3NMH
| Crystal structure of the abscisic receptor PYL2 in complex with pyrabactin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | Deposit date: | 2010-06-22 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification and mechanism of ABA receptor antagonism. Nat.Struct.Mol.Biol., 17, 2010
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1O77
| CRYSTAL STRUCTURE OF THE C713S MUTANT OF THE TIR DOMAIN OF HUMAN TLR2 | Descriptor: | TOLL-LIKE RECEPTOR 2 | Authors: | Tao, X, Xu, Y, Ye, Z, Beg, A.A, Tong, L. | Deposit date: | 2002-10-24 | Release date: | 2002-11-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | An Extensively Associated Dimer in the Structure of the C713S Mutant of the Tir Domain of Human Tlr2 Biochem.Biophys.Res.Commun., 299, 2002
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3NMP
| Crystal structure of the abscisic receptor PYL2 mutant A93F in complex with pyrabactin | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL2 | Authors: | Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Yong, E.-L, Xu, H.E. | Deposit date: | 2010-06-22 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification and mechanism of ABA receptor antagonism. Nat.Struct.Mol.Biol., 17, 2010
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1V7Z
| creatininase-product complex | Descriptor: | MANGANESE (II) ION, N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE, SULFATE ION, ... | Authors: | Yoshimoto, T, Tanaka, N, Kanada, N, Inoue, T, Nakajima, Y, Haratake, M, Nakamura, K.T, Xu, Y, Ito, K. | Deposit date: | 2003-12-26 | Release date: | 2004-01-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of creatininase reveal the substrate binding site and provide an insight into the catalytic mechanism J.Mol.Biol., 337, 2004
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8QN0
| Soluble epoxide hydrolase in complex with RK3 | Descriptor: | (3~{a}~{R},6~{a}~{S})-~{N}-[(2,4-dichlorophenyl)methyl]-5-(4-methylphenyl)sulfonyl-1,3,3~{a},4,6,6~{a}-hexahydropyrrolo[3,4-c]pyrrole-2-carboxamide, 1,2-ETHANEDIOL, Bifunctional epoxide hydrolase 2 | Authors: | Kumar, A, Zhu, F, Ehrler, J.M.H, Li, F, Empel, C, Xu, Y, Atodiresei, I, Koenigs, R.M, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2023-09-25 | Release date: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Photosensitization enables Pauson-Khand-type reactions with nitrenes. Science, 383, 2024
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1RJI
| Solution Structure of BmKX, a novel potassium channel blocker from the Chinese Scorpion Buthus martensi Karsch | Descriptor: | potassium channel toxin KX | Authors: | Cai, Z, Wu, J, Xu, Y, Wang, C.-G, Chi, C.-W, Shi, Y. | Deposit date: | 2003-11-19 | Release date: | 2003-12-09 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | A novel short-chain peptide BmKX from the Chinese scorpion Buthus martensi karsch, sequencing, gene cloning and structure determination Toxicon, 45, 2005
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7CBQ
| Crystal structure of PDE4D catalytic domain in complex with Apremilast | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-13 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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8WTF
| The Crystal Structure of IRAK4 from Biortus | Descriptor: | 1,2-ETHANEDIOL, 1-{[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy}-7-methoxyisoquinoline-6-carboxamide, Interleukin-1 receptor-associated kinase 4, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | Deposit date: | 2023-10-18 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of IRAK4 from Biortus To Be Published
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7CBJ
| Crystal structure of PDE4D catalytic domain in complex with compound 36 | Descriptor: | (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Zhang, X.L, Xu, Y.C. | Deposit date: | 2020-06-12 | Release date: | 2021-06-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment. Eur.J.Med.Chem., 211, 2021
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5WIE
| Crystal structure of a Kv1.2-2.1 chimera K+ channel V406W mutant in an inactivated state | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, ... | Authors: | Pau, V, Zhou, Y, Ramu, Y, Xu, Y, Lu, Z. | Deposit date: | 2017-07-19 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structure of an inactivated mutant mammalian voltage-gated K(+) channel. Nat. Struct. Mol. Biol., 24, 2017
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