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PDB: 53878 件

8C0R
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BU of 8c0r by Molmil
Crystal structure of human carbonic anhydrase II in complex with a coumarin derivative.
分子名称: Carbonic anhydrase 2, ZINC ION, bis(fluoranyl)-(4-methyl-2-oxidanylidene-chromen-7-yl)methanesulfonamide
著者Alterio, V, De Simone, G, Esposito, D.
登録日2022-12-19
公開日2023-03-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors.
Biology (Basel), 12, 2023
5JUD
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BU of 5jud by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with uridine-diphosphate (UDP) - GpgS*UDP
分子名称: Glucosyl-3-phosphoglycerate synthase, URIDINE-5'-DIPHOSPHATE
著者Albesa-Jove, D, Sancho-Vaello, E, Rodrigo-Unzueta, A, Comino, N, Carreras-Gonzalez, A, Arrasate, P, Urresti, S, Guerin, M.E.
登録日2016-05-10
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structural Snapshots and Loop Dynamics along the Catalytic Cycle of Glycosyltransferase GpgS.
Structure, 25, 2017
8CE9
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Crystal structure of human Cd11b I domain in C121 space group
分子名称: 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION
著者Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K.
登録日2023-02-01
公開日2023-03-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal structure of human Cd11b I domain in C121 space group
To Be Published
8CE6
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Crystal structure of human Cd11b I domain in P212121 space group
分子名称: CHLORIDE ION, GLYCEROL, Integrin alpha-M, ...
著者Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K.
登録日2023-02-01
公開日2023-03-22
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.582 Å)
主引用文献Crystal structure of human Cd11b I domain in P212121 space group
To Be Published
4RDY
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BU of 4rdy by Molmil
Crystal structure of VmoLac bound to 3-oxo-C10 AHL
分子名称: 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, COBALT (II) ION, GLYCEROL, ...
著者Hiblot, J, Bzdrenga, J, Champion, C, Gotthard, G, Gonzalez, D, Chabriere, E, Elias, M.
登録日2014-09-20
公開日2015-02-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of VmoLac, a tentative quorum quenching lactonase from the extremophilic crenarchaeon Vulcanisaeta moutnovskia.
Sci Rep, 5, 2015
4JLU
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BU of 4jlu by Molmil
Crystal structure of BRCA1 BRCT with doubly phosphorylated Abraxas
分子名称: BRCA1-A complex subunit Abraxas, Breast cancer type 1 susceptibility protein
著者Badgujar, D, Varma, A.K.
登録日2013-03-13
公開日2014-09-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Crystal structure of BRCA1 BRCT with doubly phosphorylated Abraxas
To be Published
4RG6
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Crystal structure of APC3-APC16 complex
分子名称: Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog
著者Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
登録日2014-09-29
公開日2014-12-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
6W63
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BU of 6w63 by Molmil
Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
著者Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-03-16
公開日2020-03-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19)
To Be Published
4EXG
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BU of 4exg by Molmil
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
分子名称: Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide
著者Borkakoti, N, Lindberg, J, Derbyshire, D.
登録日2012-04-30
公開日2012-10-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.
Bioorg.Med.Chem.Lett., 22, 2012
6VQU
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BU of 6vqu by Molmil
Structure of a bacterial Atm1-family ABC exporter
分子名称: ATM1-type heavy metal exporter
著者Fan, C, Rees, D.C.
登録日2020-02-05
公開日2020-07-29
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.88 Å)
主引用文献A structural framework for unidirectional transport by a bacterial ABC exporter.
Proc.Natl.Acad.Sci.USA, 117, 2020
4RG9
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BU of 4rg9 by Molmil
Crystal structure of APC3-APC16 complex (Selenomethionine Derivative)
分子名称: Anaphase-promoting complex subunit 16, Cell division cycle protein 27 homolog
著者Yamaguchi, M, Yu, S, Miller, D.J, Schulman, B.A.
登録日2014-09-29
公開日2014-12-24
最終更新日2017-08-02
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structure of an APC3-APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome.
J.Mol.Biol., 427, 2015
5HB2
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BU of 5hb2 by Molmil
Crystal Structure of Chaetomium thermophilum Nic96 SOL
分子名称: Nucleoporin NIC96
著者Lin, D.H, Stuwe, T, Schilbach, S, Hoelz, A.
登録日2015-12-31
公開日2016-04-20
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Architecture of the symmetric core of the nuclear pore.
Science, 352, 2016
3P6W
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BU of 3p6w by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-Etg-Boc
分子名称: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
登録日2010-10-11
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-Etg-Boc
To be Published
6NEJ
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BU of 6nej by Molmil
scoulerine 9-O-methyltransferase from Thalictrum flavum complexed (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol and with S-ADENOSYL-L-HOMOCYSTEINE
分子名称: (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol, (S)-scoulerine 9-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Valentic, T.R, Smolke, C.D, Payne, J.T.
登録日2018-12-17
公開日2019-12-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional characterization of the scoulerine 9-O methyltransferase from Thalictrum flavum.
To Be Published
3HR8
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BU of 3hr8 by Molmil
Crystal Structure of Thermotoga maritima RecA
分子名称: Protein recA
著者Lee, S, Kim, T.G, Jeong, E.-Y, Ban, C, Jeon, W.-J, Min, K.I, Song, K.-M, Heo, S.-D, Ku, J.K.
登録日2009-06-09
公開日2010-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of RecA Protein from Thermotoga maritima MSB8
to be published
8C7G
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BU of 8c7g by Molmil
Drosophila melanogaster Rab7 GEF complex Mon1-Ccz1-Bulli
分子名称: Caffeine, calcium, zinc sensitivity 1, ...
著者Schaefer, J, Herrmann, E, Kuemmel, D, Moeller, A.
登録日2023-01-15
公開日2023-05-17
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the metazoan Rab7 GEF complex Mon1-Ccz1-Bulli.
Proc.Natl.Acad.Sci.USA, 120, 2023
6V9X
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BU of 6v9x by Molmil
Structure of TRPA1 modified by iodoacetamide, PMAL-C8
分子名称: Transient receptor potential cation channel subfamily A member 1
著者Zhao, J, Lin King, J.V, Paulsen, C.E, Cheng, Y, Julius, D.
登録日2019-12-16
公開日2020-05-06
最終更新日2020-09-16
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Irritant-evoked activation and calcium modulation of the TRPA1 receptor.
Nature, 585, 2020
3I5H
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BU of 3i5h by Molmil
The crystal structure of rigor like squid myosin S1 in the absence of nucleotide
分子名称: CALCIUM ION, Myosin catalytic light chain LC-1, mantle muscle, ...
著者Yang, Y, Gourinath, S, Kovacs, M, Nyitray, L, Reutzel, R, Himmel, D.M, O'Neall-Hennessey, E, Reshetnikova, L, Szent-Gyorgyi, A.G, Brown, J.H, Cohen, C.
登録日2009-07-05
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Rigor-like structures from muscle myosins reveal key mechanical elements in the transduction pathways of this allosteric motor.
Structure, 15, 2007
5JTE
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BU of 5jte by Molmil
Cryo-EM structure of an ErmBL-stalled ribosome in complex with A-, P-, and E-tRNA
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Arenz, S, Bock, L.V, Graf, M, Innis, C.A, Beckmann, R, Grubmueller, H, Vaiana, A.C, Wilson, D.N.
登録日2016-05-09
公開日2016-07-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献A combined cryo-EM and molecular dynamics approach reveals the mechanism of ErmBL-mediated translation arrest.
Nat Commun, 7, 2016
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6V3C
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BU of 6v3c by Molmil
K2P2.1(TREK-1)I110D:Ru360 bound channel structure
分子名称: CADMIUM ION, HEXANE, N-OCTANE, ...
著者Pope, L, Lolicato, M, Minor, D.L.
登録日2019-11-25
公開日2020-02-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.51 Å)
主引用文献Polynuclear Ruthenium Amines Inhibit K2PChannels via a "Finger in the Dam" Mechanism.
Cell Chem Biol, 2020
5K6G
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BU of 5k6g by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-24 DS-Cav1 variant.
分子名称: Fusion glycoprotein F0,Fusion glycoprotein F0
著者Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D.
登録日2016-05-24
公開日2016-09-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
4ESI
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BU of 4esi by Molmil
Structure of ricin A chain bound with N-((1H-1,2,3-triazol-4-yl)methyl-2-amino-4-oxo-3,4-dihydropteridine-7-carboxamide
分子名称: 2-amino-4-oxo-N-(1H-1,2,3-triazol-5-ylmethyl)-1,4-dihydropteridine-7-carboxamide, Ricin
著者Jasheway, K.R, Pruet, J.M, Ryoto, S, Manzano, L.A, Wiget, P.A, Kamat, I, Anslyn, E.V, Monzingo, A.F, Robertus, J.D.
登録日2012-04-23
公開日2012-10-31
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A.
ACS Med Chem Lett, 3, 2012
5K7E
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BU of 5k7e by Molmil
The structure of pistol ribozyme, soaked with Mn2+
分子名称: DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER
著者Ren, A, Patel, D.
登録日2016-05-26
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.27 Å)
主引用文献Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
4ETI
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BU of 4eti by Molmil
Crystal Structure of YwlE from Bacillus subtilis
分子名称: FORMIC ACID, Low molecular weight protein-tyrosine-phosphatase ywlE
著者Cao, X.F, Brostromer, E, Liu, X.Y, Su, X.D.
登録日2012-04-24
公開日2012-05-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of YwlE from Bacillus subtilis
TO BE PUBLISHED

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