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PDB: 42880 件

3BLI
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Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate and acetyl-CoA
分子名称: ACETYL COENZYME *A, Citramalate synthase from Leptospira interrogans, PYRUVIC ACID, ...
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
6MRA
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Diversity in the type II Natural Killer T cell receptor repertoire and antigen specificity leads to differing CD1d docking strategies
分子名称: TCR alpha chain, TCR beta-chain
著者Sundararaj, S, Le Nours, J, Praveena, T, Rossjohn, J.
登録日2018-10-12
公開日2019-09-18
最終更新日2020-01-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Distinct CD1d docking strategies exhibited by diverse Type II NKT cell receptors.
Nat Commun, 10, 2019
6SK7
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BU of 6sk7 by Molmil
Cryo-EM structure of rhinovirus-A89
分子名称: VP1 capsid protein, VP2 capsid protein, VP3 capsid protein, ...
著者Wald, J, Goessweiner-Mohr, N, Blaas, D, Pasin, M.
登録日2019-08-14
公開日2019-09-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
6TD0
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BU of 6td0 by Molmil
Crystal structure of vaborbactam bound to KPC-2
分子名称: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-11-07
公開日2020-01-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
1VSL
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ASV INTEGRASE CORE DOMAIN D64N MUTATION WITH ZINC CATION
分子名称: PROTEIN (INTEGRASE), ZINC ION
著者Lubkowski, J, Yang, F, Alexandratos, J, Wlodawer, A.
登録日1998-09-18
公開日1998-09-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis for inactivating mutations and pH-dependent activity of avian sarcoma virus integrase.
J.Biol.Chem., 273, 1998
3C0B
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BU of 3c0b by Molmil
Crystal structure of the conserved archaeal protein Q6M145. Northeast Structural Genomics Consortium target MrR63
分子名称: CALCIUM ION, Conserved archaeal protein Q6M145
著者Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2008-01-19
公開日2008-02-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献X-ray structure of the conserved archaeal protein Q6M145.
To be Published
5N9L
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BU of 5n9l by Molmil
Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b)
分子名称: (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ...
著者Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J.
登録日2017-02-25
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018
6UE3
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BU of 6ue3 by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NS3 protease, ...
著者Zephyr, J, Schiffer, C.A.
登録日2019-09-20
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors.
Mbio, 11, 2020
3DYD
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BU of 3dyd by Molmil
Human Tyrosine Aminotransferase
分子名称: PYRIDOXAL-5'-PHOSPHATE, Tyrosine aminotransferase
著者Karlberg, T, Moche, M, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kotenyova, T, Lehtio, L, Nilsson, M.E, Nordlund, P, Nyman, T, Olesen, K, Persson, C, Sagemark, J, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wikstrom, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC)
登録日2008-07-27
公開日2008-08-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Human Tyrosine Aminotransferase
To be Published
3NAP
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BU of 3nap by Molmil
Structure of Triatoma Virus (TrV)
分子名称: Capsid protein
著者Squires, G, Pous, J.
登録日2010-06-02
公開日2010-07-28
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystallographic structure of Triatoma Virus (TrV) highlights the Dicistroviridae and Picornaviridae family differences
To be Published
3B7P
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BU of 3b7p by Molmil
Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMINE, Spermidine synthase
著者Qiu, W, Dong, A, Ren, H, Wu, H, Zhao, Y, Schapira, M, Wasney, G, Vedadi, M, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Plotnikov, A.N, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2007-10-31
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of spermidine synthase from Plasmodium falciparum in complex with spermine.
To be Published
6QW8
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BU of 6qw8 by Molmil
Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWE
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BU of 6qwe by Molmil
Crystal structure of KPC-4
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
7QYG
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BU of 7qyg by Molmil
Structure of the transaminase TR2
分子名称: Aminotransferase TR2
著者Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
登録日2022-01-28
公開日2023-08-16
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
7QYF
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Structure of the transaminase PluriZyme variant (TR2E2)
分子名称: Aminotransferase TR2
著者Roda, S, Fernandez-Lopez, L, Benedens, M, Bollinger, A, Thies, S, Schumacher, J, Coscolin, C, Kazemi, M, Santiago, G, Gertzen, C.G, Gonzalez-Alfonso, J, Plou, F.J, Jaeger, K.E, Smits, S.H, Ferrer, M, Guallar, V.
登録日2022-01-28
公開日2023-07-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A Plurizyme with Transaminase and Hydrolase Activity Catalyzes Cascade Reactions.
Angew Chem Int Ed Engl, 61, 2022
5D7X
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BU of 5d7x by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with XZ08
分子名称: 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-08-14
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J.Med.Chem., 59, 2016
3B76
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Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase LNX, SODIUM ION
著者Ugochukwu, E, Burgess-Brown, N, Berridge, G, Elkins, J, Bunkoczi, G, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Gileadi, O, von Delft, F, Doyle, D, Structural Genomics Consortium (SGC)
登録日2007-10-30
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the third PDZ domain of human ligand-of-numb protein-X (LNX1) in complex with the C-terminal peptide from the coxsackievirus and adenovirus receptor.
To be Published
8I1U
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Human TRiC-PhLP2A complex in the closed state
分子名称: ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ...
著者Roh, S.H, Park, J, Kim, H, Lim, S.
登録日2023-01-13
公開日2024-01-31
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献A structural vista of phosducin-like PhLP2A-chaperonin TRiC cooperation during the ATP-driven folding cycle.
Nat Commun, 15, 2024
5M1X
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Crystal structure of S. cerevisiae Rfa1 N-OB domain mutant (K45E)
分子名称: Replication factor A protein 1
著者Seeber, A, Hegnauer, A.M, Hustedt, N, Deshpande, I, Poli, J, Eglinger, J, Pasero, P, Gut, H, Shinohara, M, Hopfner, K.P, Shimada, K, Gasser, S.M.
登録日2016-10-11
公開日2016-12-07
最終更新日2016-12-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献RPA Mediates Recruitment of MRX to Forks and Double-Strand Breaks to Hold Sister Chromatids Together.
Mol. Cell, 64, 2016
5VAK
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Crystal Structure of Beta-Klotho, Domain 1
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, Beta-klotho, ...
著者Lee, S, Schlessinger, J.
登録日2017-03-27
公開日2018-01-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structures of beta-klotho reveal a 'zip code'-like mechanism for endocrine FGF signalling.
Nature, 553, 2018
6G95
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Crystal structure of Ebolavirus glycoprotein in complex with thioridazine
分子名称: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Ren, J, Fry, E.E, Xiao, J, Townsend, A.R, Stuart, D.I.
登録日2018-04-10
公開日2018-05-23
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structures of Ebola Virus Glycoprotein Complexes with Tricyclic Antidepressant and Antipsychotic Drugs.
J. Med. Chem., 61, 2018
8I6J
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The focused refinement of CCT3-PhLP2A from TRiC-PhLP2A complex in the open state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Phosducin-like protein 3, T-complex protein 1 subunit gamma
著者Roh, S.H, Park, J, Kim, H, Lim, S.
登録日2023-01-28
公開日2024-01-31
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献A structural vista of phosducin-like PhLP2A-chaperonin TRiC cooperation during the ATP-driven folding cycle.
Nat Commun, 15, 2024
5A3T
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Crystal structure of human PLU-1 (JARID1B) in complex with KDM5-C49 (2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl) isonicotinic acid).
分子名称: 1,2-ETHANEDIOL, 2-{[(2-{[(E)-2-(dimethylamino)ethenyl](ethyl)amino}-2-oxoethyl)amino]methyl}pyridine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Srikannathasan, V, Johansson, C, Gileadi, C, Kopec, J, Strain-Damerell, C, Kupinska, K, BurgessBrown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2015-06-02
公開日2015-06-17
最終更新日2016-06-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
2P1I
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Plasmodium yoelii Ribonucleotide Reductase Subunit R2 (PY03671)
分子名称: FE (III) ION, Ribonucleotide reductase, small chain
著者Wernimont, A.K, Dong, A, Choe, J, Gao, M, Walker, J, Lew, J, Alam, Z, Zhao, Y, Nordlund, P, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
登録日2007-03-05
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Plasmodium yoelii Ribonucleotide Reductase Subunit R2 (PY03671)
To be Published

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