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5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
著者Yu, Y, Li, B, Chen, Q.
登録日2017-04-24
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
7P6S
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BU of 7p6s by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6T
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BU of 7p6t by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7P6R
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BU of 7p6r by Molmil
Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2
著者Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L.
登録日2021-07-17
公開日2022-03-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
7YQE
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BU of 7yqe by Molmil
Structure of human SRC regulatory domains in complex with the C-terminal PRRP motifs of GPR54.
分子名称: Proto-oncogene tyrosine-protein kinase Src,KiSS-1 receptor
著者Song, G, Xu, S.
登録日2022-08-06
公開日2023-08-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Kisspeptin-10 binding to Gpr54 in osteoclasts prevents bone loss by activating Dusp18-mediated dephosphorylation of Src.
Nat Commun, 15, 2024
8Y94
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BU of 8y94 by Molmil
Structure of Apo human norepinephrine transporter NET
分子名称: Sodium-dependent noradrenaline transporter
著者Zhang, H, Xu, H.E, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8Y93
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BU of 8y93 by Molmil
Structure of NET-Amitriptyline in outward-open state
分子名称: Amitriptyline, CHLORIDE ION, SODIUM ION, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8Y91
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BU of 8y91 by Molmil
Structure of NET-nomifensine in outward-open state
分子名称: (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8Y8Z
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BU of 8y8z by Molmil
Structure of NET-Maprotiline in outward-open state
分子名称: CHLORIDE ION, SODIUM ION, Sodium-dependent noradrenaline transporter, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8Y95
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BU of 8y95 by Molmil
Structure of NET-NE in Occluded state
分子名称: CHLORIDE ION, Noradrenaline, SODIUM ION, ...
著者Zhang, H, Xu, H.E, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8Y92
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BU of 8y92 by Molmil
structure of NET-Atomoxetine in outward-open state
分子名称: (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine, CHLORIDE ION, SODIUM ION, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.29 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8YR2
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BU of 8yr2 by Molmil
Structure of NET-Nisoxetine in outward-open state
分子名称: CHLORIDE ION, CHOLESTEROL, SODIUM ION, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-03-20
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.89 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
8Y90
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BU of 8y90 by Molmil
Structure of NET-Nefopam in outward-open state
分子名称: (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine, CHLORIDE ION, SODIUM ION, ...
著者Zhang, H, Xu, E.H, Jiang, Y.
登録日2024-02-06
公開日2024-05-29
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.15 Å)
主引用文献Dimerization and antidepressant recognition at noradrenaline transporter.
Nature, 2024
1FOL
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BU of 1fol by Molmil
REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001
7BVH
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BU of 7bvh by Molmil
Crystal structure of arabinosyltransferase EmbC2-AcpM2 complex from Mycobacterium smegmatis complexed with di-arabinose
分子名称: CALCIUM ION, Integral membrane indolylacetylinositol arabinosyltransferase EmbC, Meromycolate extension acyl carrier protein, ...
著者Zhao, Y, Zhang, L, Wu, L.J, Wang, Q, Li, J, Besra, G.S, Rao, Z.H.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020
5Y8Y
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BU of 5y8y by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y93
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BU of 5y93 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
8ITU
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BU of 8itu by Molmil
SARS-CoV-2 Omicron BA.1 Spike glycoprotein in complex with rabbit monoclonal antibody 1H1 IgG.
分子名称: 1H1 heavy chain, 1H1 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
登録日2023-03-23
公開日2023-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Mechanism of a rabbit monoclonal antibody broadly neutralizing SARS-CoV-2 variants.
Commun Biol, 6, 2023
8IK0
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BU of 8ik0 by Molmil
Cryo-EM structure of Stimulator of interferon genes
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
8IK3
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BU of 8ik3 by Molmil
Structure of Stimulator of interferon genes/ligand complex
分子名称: Stimulator of interferon genes protein,Immune protein Tsi3, cGAMP
著者Lu, D.F, Shang, G.J.
登録日2023-02-28
公開日2023-05-17
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献The mechanism of STING autoinhibition and activation.
Mol.Cell, 83, 2023
5Y8W
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BU of 5y8w by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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BU of 5y94 by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, Bromodomain-containing protein 4, GLYCEROL, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8Z
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BU of 5y8z by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-22
公開日2018-06-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8C
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BU of 5y8c by Molmil
Crystal Structure Analysis of the BRD4
分子名称: 1,2-ETHANEDIOL, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ...
著者Xu, Y, Zhang, Y, Song, M, Wang, C.
登録日2017-08-21
公開日2018-06-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
7BVC
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BU of 7bvc by Molmil
Cryo-EM structure of Mycobacterium smegmatis arabinosyltransferase EmbA-EmbB-AcpM2 in complex with ethambutol
分子名称: 4'-PHOSPHOPANTETHEINE, CALCIUM ION, CARDIOLIPIN, ...
著者Zhang, L, Zhao, Y, Gao, Y, Wang, Q, Li, J, Besra, G.S, Rao, Z.
登録日2020-04-10
公開日2020-04-29
最終更新日2020-07-01
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structures of cell wall arabinosyltransferases with the anti-tuberculosis drug ethambutol.
Science, 368, 2020

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