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PDB: 53012 件

8WUG
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The Crystal Structure of JMJD2D from Biortus.
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lysine-specific demethylase 4D, ...
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S.
登録日2023-10-20
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Crystal Structure of JMJD2D from Biortus.
To Be Published
6OL0
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BU of 6ol0 by Molmil
Structure of VcINDY bound to Malate
分子名称: (2S)-2-hydroxybutanedioic acid, SODIUM ION, Transporter, ...
著者Sauer, D.B, Marden, J.J, Wang, D.N.
登録日2019-04-15
公開日2020-10-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.502 Å)
主引用文献Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
8Y83
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Crystal structure of a ketoreductase from Sphingobacterium siyangense SY1 with co-enzyme
分子名称: NAD(P)-dependent dehydrogenase (Short-subunit alcohol dehydrogenase family), NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Zheng, Z.R, Wei, H.L, Liu, W.D, You, S.
登録日2024-02-05
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a ketoreductase from Sphingobacterium siyangense SY1 with co-enzyme
To Be Published
9BGP
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BU of 9bgp by Molmil
X-ray structure of the aminotransferase from Vibrio vulnificus responsible for the biosynthesis of 2,3-diacetamido-4-amino-2,3,4-trideoxy-arabinose in the presence of its internal aldimine
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, aminotransferase
著者Fait, D.J, Thoden, J.B, Holden, H.M.
登録日2024-04-19
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Biochemical Investigation of an Aminotransferase Required for the Production of 2,3,4-triacetamido-2,3,4-trideoxy-L-arabinose
To Be Published
8X5L
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BU of 8x5l by Molmil
The Crystal Structure of PRKACA from Biortus.
分子名称: (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha
著者Wang, F, Cheng, W, Lv, Z, Lin, D, Pan, W.
登録日2023-11-17
公開日2023-12-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The Crystal Structure of PRKACA from Biortus.
To Be Published
9FQ2
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BU of 9fq2 by Molmil
Poliovirus 3C protease in H32 spacegroup
分子名称: Protease 3C
著者Fairhead, M, Lithgo, R.M, MacLean, E.M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
登録日2024-06-14
公開日2024-06-26
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Poliovirus 3C protease in H32 spacegroup
To Be Published
8YQ4
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BU of 8yq4 by Molmil
Structure of mBaoJin2
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Boyko, K.M, Nikolaeva, A.Y, Minyaev, M.E, Kuzmicheva, T.P, Vlaskina, A.V, Popov, V.O, Pyatkevich, K.D, Subach, F.V.
登録日2024-03-19
公開日2024-03-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of mBaoJin2
To Be Published
7MK7
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BU of 7mk7 by Molmil
Augmentor domain of augmentor-beta
分子名称: ALK and LTK ligand 1,Maltodextrin-binding protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Krimmer, S.G, Reshetnyak, A.V, Puleo, D.E, Schlessinger, J.
登録日2021-04-21
公開日2021-11-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.42815185 Å)
主引用文献Structural basis for ligand reception by anaplastic lymphoma kinase.
Nature, 600, 2021
6OBX
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BU of 6obx by Molmil
Montbretin A analogue M10-MbA in complex with Human pancreatic alpha-amylase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Caner, S, Brayer, G.D.
登録日2019-03-21
公開日2020-02-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Synthesis of montbretin A analogues yields potent competitive inhibitors of human pancreatic alpha-amylase.
Chem Sci, 10, 2019
7MGW
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BU of 7mgw by Molmil
5-HT bound serotonin transporter reconstituted in lipid nanodisc in NaCl in occluded conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, CHOLESTEROL, ...
著者Yang, D, Gouaux, E.
登録日2021-04-13
公開日2021-12-15
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Illumination of serotonin transporter mechanism and role of the allosteric site.
Sci Adv, 7, 2021
8DSR
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BU of 8dsr by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362
分子名称: (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X
著者Abendroth, J, Lorimer, D.D.
登録日2022-07-22
公開日2022-10-19
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
9B33
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BU of 9b33 by Molmil
Structure of concanavalin A (ConA) dimer from the open-state structure of kainate receptor GluK2 in complex with agonist glutamate and positive allosteric modulator BPAM344 bound to one ConA dimer. Type II interface between GluK2 ligand-binding domain and ConA
分子名称: CALCIUM ION, Concanavalin V, ZINC ION
著者Nadezhdin, K.D, Gangwar, S.P, Sobolevsky, A.I.
登録日2024-03-18
公開日2024-05-22
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (4.07 Å)
主引用文献Kainate receptor channel opening and gating mechanism.
Nature, 630, 2024
8X1V
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BU of 8x1v by Molmil
NMR structure of a bimolecular parallel G-quadruplex formed by AAGGG repeats from pathogenic RFC1 gene
分子名称: DNA (5'-D(*AP*AP*GP*GP*GP*AP*AP*GP*GP*GP*AP*A)-3')
著者Wang, Y, Guo, P, Han, D.
登録日2023-11-08
公開日2024-01-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural investigation of pathogenic RFC1 AAGGG pentanucleotide repeats reveals a role of G-quadruplex in dysregulated gene expression in CANVAS.
Nucleic Acids Res., 52, 2024
8XN8
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BU of 8xn8 by Molmil
The Crystal Structure of SRC from Biortus.
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ...
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Bao, C.
登録日2023-12-29
公開日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of SRC from Biortus.
To Be Published
8YTD
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BU of 8ytd by Molmil
Crystal Structure of TrkA D5 domain in complex with two different macrocyclic peptides
分子名称: 1,2-ETHANEDIOL, High affinity nerve growth factor receptor, Macrocyclic Peptide
著者Yamada, T, Mihara, K, Ueda, T, Yamauchi, D, Shimizu, M, Ando, A, Mayumi, K, Nakata, Z, Mikamiyama, H.
登録日2024-03-25
公開日2024-07-10
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Discovery and Hit to Lead Optimization of Macrocyclic Peptides as Novel Tropomyosin Receptor Kinase A Antagonists.
J.Med.Chem., 67, 2024
8XPZ
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BU of 8xpz by Molmil
The Crystal Structure of TTBK1 from Biortus.
分子名称: 1,2-ETHANEDIOL, Tau-tubulin kinase 1
著者Wang, F, Cheng, W, Yuan, Z, Lin, D, Ni, C.
登録日2024-01-04
公開日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献The Crystal Structure of TTBK1 from Biortus.
To Be Published
6ONE
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BU of 6one by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-188-A01.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, clade A/E 93TH057 HIV-1 gp120 core, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
6ONH
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BU of 6onh by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-031-A05.
分子名称: (3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
6ONV
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BU of 6onv by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-027-D05.
分子名称: (3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-22
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献A New Family of Small-Molecule CD4-Mimetic Compounds Contacts Highly Conserved Aspartic Acid 368 of HIV-1 gp120 and Mediates Antibody-Dependent Cellular Cytotoxicity.
J.Virol., 93, 2019
6OOO
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BU of 6ooo by Molmil
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-226.
分子名称: (3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Tolbert, W.D, Sherburn, R, Pazgier, M.
登録日2019-04-23
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of Small Molecules That Sensitize HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.
Acs Med.Chem.Lett., 11, 2020
8DMA
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BU of 8dma by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
登録日2022-07-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.79 Å)
主引用文献Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DM8
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BU of 8dm8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
著者Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
登録日2022-07-08
公開日2023-02-08
実験手法ELECTRON MICROSCOPY (2.68 Å)
主引用文献Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8Y85
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Human AE3 with NaHCO3- and DIDS
分子名称: 2,2'-ethane-1,2-diylbis{5-[(sulfanylmethyl)amino]benzenesulfonic acid}, Anion exchange protein 3, BICARBONATE ION
著者Jian, L, Zhang, Q, Yao, D, Wang, Q, Xia, Y, Qin, A, Cao, Y.
登録日2024-02-05
公開日2024-07-31
実験手法ELECTRON MICROSCOPY (2.73 Å)
主引用文献The structural insight into the functional modulation of human anion exchanger 3
Nat Commun, 15, 2024
6OKZ
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Structure of VcINDY bound to Fumarate
分子名称: FUMARIC ACID, SODIUM ION, Transporter, ...
著者Sauer, D.B, Marden, J, Wang, D.N.
登録日2019-04-15
公開日2020-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (3.292 Å)
主引用文献Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter
Biorxiv, 2022
6ZW8
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Isopenicillin N synthase in complex with Cd and ACV.
分子名称: CADMIUM ION, GLYCEROL, Isopenicillin N synthase, ...
著者Rabe, P, Kamps, J.J.A.G, Sutherlin, K, Pharm, C, McDonough, M.A, Leissing, T.M, Aller, P, Butryn, A, Linyard, J, Lang, P, Brem, J, Fuller, F.D, Batyuk, A, Hunter, M.S, Pettinati, I, Clifton, I.J, Alonso-Mori, R, Gul, S, Young, I, Kim, I, Bhowmick, A, ORiordan, L, Brewster, A.S, Claridge, T.D.W, Sauter, N.K, Yachandra, V, Yano, J, Kern, J.F, Orville, A.M, Schofield, C.J.
登録日2020-07-27
公開日2021-06-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis.
Sci Adv, 7, 2021

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件を2024-07-31に公開中

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