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PDB: 22600 件
7Q1O
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BU of 7q1o by Molmil
Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Brazzolotto, X, Panek, D, Pasieka, A, Malawska, B, Nachon, F.
登録日2021-10-20
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies.
Eur.J.Med.Chem., 249, 2023
2WMR
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BU of 2wmr by Molmil
Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors
分子名称: 5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1
著者Matthews, T.P, Klair, S, Burns, S, Boxall, K, Cherry, M, Fisher, M, Westwood, I.M, Walton, M.I, McHardy, T, Cheung, K.-M.J, Van Montfort, R, Williams, D, Aherne, G.W, Garrett, M.D, Reader, J, Collins, I.
登録日2009-07-03
公開日2009-07-28
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Identification of Inhibitors of Checkpoint Kinase 1 Through Template Screening.
J.Med.Chem., 52, 2009
2WOQ
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BU of 2woq by Molmil
Porphobilinogen Synthase (HemB) in Complex with 5-acetamido-4- oxohexanoic acid (Alaremycin 2)
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ALAREMYCIN 2, ...
著者Heinemann, I.U, Schulz, C, Schubert, W.-D, Heinz, D.W, Wang, Y.-G, Kobayashi, Y, Awa, Y, Wachi, M, Jahn, D, Jahn, M.
登録日2009-07-27
公開日2009-10-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure of the heme biosynthetic Pseudomonas aeruginosa porphobilinogen synthase in complex with the antibiotic alaremycin.
Antimicrob. Agents Chemother., 54, 2010
8C58
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BU of 8c58 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 5-hydroxycytosine and 5-methylcytosine containing dsDNA
分子名称: CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5OC)P*GP*CP*TP*GP*AP*A)-3'), ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 52, 2024
8C59
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BU of 8c59 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 5-bromocytosine (converted to 5mC) and 5-methylcytosine containing dsDNA
分子名称: CARBONATE ION, CITRIC ACID, Cytosine-specific methyltransferase, ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 52, 2024
8C57
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CpG specific M.MpeI methyltransferase crystallized in the presence of 5,6-dihydro-5-azacytosine (converted to 5m-dhaC) and 5-methylcytosine containing dsDNA
分子名称: CARBONATE ION, Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5MA)P*GP*CP*TP*GP*AP*A)-3'), ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 52, 2024
7ZPN
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BU of 7zpn by Molmil
Crystal Structure of IscR from Dinoroseobacter shibae
分子名称: GLYCEROL, HTH-type transcriptional regulator, SULFATE ION
著者Lukat, P, Ploetzky, L, Blankenfeldt, W, Jahn, D, Haertig, E.
登録日2022-04-28
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Dinoroseobacter shibae IscR homolog acts as a repressor for iron acquisition genes
To Be Published
1YXK
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BU of 1yxk by Molmil
Crystal structure of human lectin-like oxidized low-density lipoprotein receptor 1 (LOX-1) disulfide-linked dimer
分子名称: oxidised low density lipoprotein (lectin-like) receptor 1
著者Ohki, I, Ishigaki, T, Oyama, T, Matsunaga, S, Xie, Q, Ohnishi-Kameyama, M, Murata, T, Tsuchiya, D, Machida, S, Morikawa, K, Tate, S.
登録日2005-02-22
公開日2005-06-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of human lectin-like, oxidized low-density lipoprotein receptor 1 ligand binding domain and its ligand recognition mode to OxLDL.
Structure, 13, 2005
8CBD
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BU of 8cbd by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-1 and EY6A Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BA.4/5-1 heavy chain, BA.4/5-1 light chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-01-25
公開日2024-02-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
1Z66
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BU of 1z66 by Molmil
NMR solution structure of domain III of E-protein of tick-borne Langat flavivirus (no RDC restraints)
分子名称: Major envelope protein E
著者Mukherjee, M, Dutta, K, White, M.A, Cowburn, D, Fox, R.O.
登録日2005-03-21
公開日2006-03-28
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR solution structure and backbone dynamics of domain III of the E protein of tick-borne Langat flavivirus suggests a potential site for molecular recognition.
Protein Sci., 15, 2006
7ZS7
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BU of 7zs7 by Molmil
Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI
分子名称: (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide, ACETATE ION, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-05-06
公開日2023-05-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 2024
5L3E
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BU of 5l3e by Molmil
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine, ...
著者Speranzini, V, Rotili, D, Ciossani, G, Pilotto, S, Forgione, M, Lucidi, A, Forneris, F, Velankar, S, Mai, A, Mattevi, A.
登録日2016-04-10
公開日2016-09-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Polymyxins and quinazolines are LSD1/KDM1A inhibitors with unusual structural features.
Sci Adv, 2, 2016
1ZFM
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BU of 1zfm by Molmil
AGC Duplex B-DNA
分子名称: 5'-D(*CP*CP*GP*CP*TP*AP*GP*CP*GP*G)-3'
著者Hays, F.A, Teegarden, A.T, Jones, Z.J.R, Harms, M, Raup, D, Watson, J, Cavaliere, E, Ho, P.S.
登録日2005-04-20
公開日2005-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献How sequence defines structure: a crystallographic map of DNA structure and conformation.
Proc.Natl.Acad.Sci.Usa, 102, 2005
2WQZ
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BU of 2wqz by Molmil
Crystal structure of synaptic protein neuroligin-4 in complex with neurexin-beta 1: alternative refinement
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEUREXIN-1-BETA, ...
著者Fabrichny, I.P, Leone, P, Sulzenbacher, G, Comoletti, D, Miller, M.T, Taylor, P, Bourne, Y, Marchot, P.
登録日2009-08-28
公開日2009-09-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural Analysis of the Synaptic Protein Neuroligin and its Beta-Neurexin Complex: Determinants for Folding and Cell Adhesion.
Neuron, 56, 2007
8C56
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BU of 8c56 by Molmil
CpG specific M.MpeI methyltransferase crystallized in the presence of 2'-deoxy-5-methylzebularine (5mZ) and 5-methylcytosine containing dsDNA
分子名称: Cytosine-specific methyltransferase, DNA (5'-D(*CP*CP*AP*CP*AP*TP*GP*(5PY)P*GP*CP*TP*GP*AP*A)-3'), DNA (5'-D(*GP*TP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*TP*G)-3'), ...
著者Wojciechowski, M, Czapinska, H, Krwawicz, J, Rafalski, D, Bochtler, M.
登録日2023-01-06
公開日2024-01-17
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Cytosine analogues as DNA methyltransferase substrates.
Nucleic Acids Res., 52, 2024
8CCK
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BU of 8cck by Molmil
Crystal structure of Mycobacterium smegmatis thioredoxin reductase in complex with fragment F2X-Entry H07
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ...
著者Fuesser, F.T, Koch, O, Kuemmel, D.
登録日2023-01-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Fragment-based design of mycobacterial thioredoxin reductase inhibitors based on computational exploration of a huge virtual space
To Be Published
1ZK8
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BU of 1zk8 by Molmil
Crystal structure of transcriptional regulator from Bacillus cereus ATCC 14579
分子名称: Transcriptional regulator, TetR family
著者Nocek, B, Zhou, M, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2005-05-02
公開日2005-06-14
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure Of TetR repressor from Bacillus cereus ATCC14579
To be Published
8C5G
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BU of 8c5g by Molmil
Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus)
分子名称: Chlorotoxin, Neuropilin-1
著者Boros, E, Ecsedi, P, Szakacs, D, Nyitray, L.
登録日2023-01-09
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure of human Neuropilin-1 b1b2 domains in complex with Chlorotoxin (Leiurus quinquestriatus)
To Be Published
6TLA
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BU of 6tla by Molmil
CRYSTAL STRUCTURE OF LECTIN-LIKE OX-LDL RECEPTOR 1 (C 1 2 1)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Oxidized low-density lipoprotein receptor 1
著者Nar, H, Fiegen, D, Schnapp, G.
登録日2019-12-02
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献A small-molecule inhibitor of lectin-like oxidized LDL receptor-1 acts by stabilizing an inactive receptor tetramer state
Commun Chem, 2020
8CBE
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BU of 8cbe by Molmil
SARS-CoV-2 Delta-RBD complexed with BA.4/5-2 and Beta-49 Fabs
分子名称: BA.4/5-2 heavy chain, BA.4/5-2 light chain, Beta-49 heavy chain, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-01-25
公開日2024-02-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
8CBF
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BU of 8cbf by Molmil
SARS-CoV-2 Delta-RBD complexed with Omi-42 and Beta-49 Fabs
分子名称: Beta-49 heavy chain, Beta-49 light chain, CHLORIDE ION, ...
著者Zhou, D, Ren, J, Stuart, D.I.
登録日2023-01-25
公開日2024-02-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Emerging variants develop total escape from potent monoclonal antibodies induced by BA.4/5 infection.
Nat Commun, 15, 2024
1ZCP
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BU of 1zcp by Molmil
Crystal Structure of a catalytic site mutant E. coli TrxA (CACA)
分子名称: Thioredoxin 1
著者Collet, J.-F, Peisach, D, Bardwell, J.C, Xu, Z.
登録日2005-04-12
公開日2005-08-09
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The crystal structure of TrxA(CACA): Insights into the formation of a [2Fe-2S] iron-sulfur cluster in an Escherichia coli thioredoxin mutant
Protein Sci., 14, 2005
8CDT
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BU of 8cdt by Molmil
Crystal structure of the xNup93-Nb2t VHH antibody
分子名称: 15-Nup93 tracking VHH antibody, GLYCEROL
著者Guttler, T, Colom, M.S, Gorlich, D.
登録日2023-02-01
公開日2024-02-21
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A checkpoint function for Nup98 in nuclear pore formation suggested by novel inhibitory nanobodies.
Embo J., 43, 2024
2X06
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BU of 2x06 by Molmil
SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHII
分子名称: L-SULFOLACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D.
登録日2009-12-07
公開日2009-12-15
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Methanoarchaeal Sulfolactate Dehydrogenase: Prototype of a New Family of Nadh-Dependent Enzymes.
Embo J., 23, 2004
7PD5
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BU of 7pd5 by Molmil
Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ...
著者Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S.
登録日2021-08-04
公開日2023-02-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid
To Be Published

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件を2024-10-16に公開中

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