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5DHD
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BU of 5dhd by Molmil
Crystal structure of ChBD2 from Thermococcus kodakarensis KOD1
分子名称: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Chitinase, SULFATE ION
著者Hibi, M, Niwa, S, Takeda, K, Miki, K.
登録日2015-08-30
公開日2016-02-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystal structures of chitin binding domains of chitinase from Thermococcus kodakarensis KOD1
Febs Lett., 590, 2016
8RTB
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BU of 8rtb by Molmil
Extended inner membrane complex (IMC) protomer structure (TrwM/VirB3-TrwK/VirB4-TrwI/VirB6-TrwG/VirB8-TrwE/VirB10) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwE protein, TrwG protein, TrwI protein, ...
著者Mace, K, Waksman, G.
登録日2024-01-25
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.83 Å)
主引用文献Cryo-EM structure of a conjugative type IV secretion system suggests a molecular switch regulating pilus biogenesis.
Embo J., 2024
5DHI
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BU of 5dhi by Molmil
Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - nonalkylated
分子名称: 5-epi-aristolochene synthase, MAGNESIUM ION
著者Noel, J.P, Kersten, R.D.
登録日2015-08-31
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanism-Based Post-Translational Modification and Inactivation in Terpene Synthases.
Acs Chem.Biol., 10, 2015
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
著者Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2010-05-07
公開日2010-05-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
8RBQ
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BU of 8rbq by Molmil
Cryo-EM structure of the NADH:ferredoxin oxidoreductase RNF from Azotobacter vinelandii, dithionite reduced
分子名称: DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Zhang, L, Einsle, O.
登録日2023-12-04
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Architecture of the RNF1 complex that drives biological nitrogen fixation.
Nat.Chem.Biol., 2024
5DHQ
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BU of 5dhq by Molmil
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor
分子名称: 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine, CITRIC ACID, GLYCEROL, ...
著者Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G.
登録日2015-08-31
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
2XDX
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BU of 2xdx by Molmil
Structure of HSP90 with small molecule inhibitor bound
分子名称: 4-CHLORO-6-(2-METHOXYPHENYL)PYRIMIDIN-2-AMINE, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, O'Brien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-05-10
公開日2010-09-01
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency.
J.Med.Chem., 53, 2010
2G01
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BU of 2g01 by Molmil
Pyrazoloquinolones as Novel, Selective JNK1 inhibitors
分子名称: 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ...
著者Abad-Zapatero, C.
登録日2006-02-10
公開日2006-04-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
8RF3
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BU of 8rf3 by Molmil
Crystal structure of N-terminal SARS-CoV-2 nsp1 in complex with fragment hit 7G3 refined against the anomalous diffraction data
分子名称: 2-(1-benzothiophen-3-yl)ethanoic acid, Host translation inhibitor nsp1
著者Ma, S, Damfo, S, Mykhaylyk, V, Kozielski, F.
登録日2023-12-12
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献High-confidence placement of low-occupancy fragments into electron density using the anomalous signal of sulfur and halogen atoms.
Acta Crystallogr D Struct Biol, 80, 2024
8RRY
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BU of 8rry by Molmil
Crystal structure of copper-loaded SmAA10
分子名称: CBP21, CITRIC ACID, COPPER (II) ION, ...
著者Munzone, A, Pujol, M, Reglier, M, Royant, A, Simaan, A.J, Decroos, C.
登録日2024-01-24
公開日2024-06-12
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (1.45561326 Å)
主引用文献Integrated Experimental and Theoretical Investigation of Copper Active Site Properties of a Lytic Polysaccharide Monooxygenase from Serratia marcescens.
Inorg.Chem., 63, 2024
2XRH
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BU of 2xrh by Molmil
Crystal structure of the truncated form of HP0721
分子名称: NICOTINIC ACID, PROTEIN HP0721
著者Cioci, G, Terradot, L, Dian, C, Muller-Dieckmann, C, Leonard, G.
登録日2010-09-15
公開日2011-09-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Hp0721, a Novel Secreted Protein from Helicobacter Pylori.
Proteins, 79, 2011
2XXP
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A widespread family of bacterial cell wall assembly proteins
分子名称: CPS2A, DI(HYDROXYETHYL)ETHER, MONO-TRANS, ...
著者Marles-Wright, J, Kawai, Y, Emmins, R, Ishikawa, S, Kuwano, M, Heinz, N, Cleverley, R.M, Bui, N.K, Ogasawara, N, Lewis, R.J, Vollmer, W, Daniel, R.A, Errington, J.
登録日2010-11-11
公開日2011-10-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献A Widespread Family of Bacterial Cell Wall Assembly Proteins.
Embo J., 30, 2011
2Y3B
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BU of 2y3b by Molmil
Co-bound form of Cupriavidus metallidurans CH34 CnrXs
分子名称: COBALT (II) ION, GLYCEROL, NICKEL AND COBALT RESISTANCE PROTEIN CNRR
著者Trepreau, J, Girard, E, Maillard, A.P, de Rosny, E, Petit-Haertlein, I, Kahn, R, Coves, J.
登録日2010-12-20
公開日2011-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献Structural Basis for Metal Sensing by Cnrx.
J.Mol.Biol., 408, 2011
8RB8
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BU of 8rb8 by Molmil
Cryo-EM structure of the NADH:ferredoxin oxidoreductase RNF from Azotobacter vinelandii, purified with 2-ME/TCEP, NADH added
分子名称: DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
著者Zhang, L, Einsle, O.
登録日2023-12-03
公開日2024-06-26
実験手法ELECTRON MICROSCOPY (3.41 Å)
主引用文献Architecture of the RNF1 complex that drives biological nitrogen fixation.
Nat.Chem.Biol., 2024
2XUE
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BU of 2xue by Molmil
CRYSTAL STRUCTURE OF JMJD3
分子名称: 2-OXOGLUTARIC ACID, FE (III) ION, LYSINE-SPECIFIC DEMETHYLASE 6B, ...
著者Chung, C, Rowland, P, Mosley, J, Thomas, P.J.
登録日2010-10-19
公開日2011-12-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Selective Jumonji H3K27 Demethylase Inhibitor Modulates the Proinflammatory Macrophage Response
Nature, 488, 2012
2Y5P
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BU of 2y5p by Molmil
B-repeat of Listeria monocytogenes InlB (internalin B)
分子名称: CALCIUM ION, CHLORIDE ION, INTERNALIN B
著者Ebbes, M, Niemann, H.H.
登録日2011-01-17
公開日2011-02-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fold and Function of the Inlb B-Repeat.
J.Biol.Chem., 286, 2011
2XTX
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BU of 2xtx by Molmil
Structure of QnrB1 (M102R-Trypsin Treated), a plasmid-mediated fluoroquinolone resistance protein
分子名称: QNRB1, SULFATE ION
著者Vetting, M.W, Hegde, S.S, Park, C.H, Jacoby, G.A, Hooper, D.C, Blanchard, J.S.
登録日2010-10-12
公開日2010-10-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Qnrb1, a Plasmid-Mediated Fluoroquinolone Resistance Factor.
J.Biol.Chem., 286, 2011
8RT6
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BU of 8rt6 by Molmil
Conformation-A of the full-length outer membrane core complex (TrwH/VirB7, TrwF/VirB9, TrwE/VirB10CTD) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwE protein, TrwF protein, TrwH protein
著者Mace, K, Waksman, G.
登録日2024-01-25
公開日2024-06-19
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Cryo-EM structure of a conjugative type IV secretion system suggests a molecular switch regulating pilus biogenesis.
Embo J., 2024
2XJX
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BU of 2xjx by Molmil
Structure of HSP90 with small molecule inhibitor bound
分子名称: HEAT SHOCK PROTEIN HSP 90-ALPHA, Onalespib
著者Murray, C.W, Carr, M.G, Callaghan, O, Chessari, G, Congreve, M, Cowan, S, Coyle, J.E, Downham, R, Figueroa, E, Frederickson, M, Graham, B, McMenamin, R, OBrien, M.A, Patel, S, Phillips, T.R, Williams, G, Woodhead, A.J, Woolford, A.J.A.
登録日2010-07-06
公開日2010-08-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Discovery of (2,4-Dihydroxy-5-Isopropylphenyl)-[5-(4-Methylpiperazin-1-Ylmethyl)-1,3-Dihydroisoindol-2-Yl]Methanone (at13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design.
J.Med.Chem., 53, 2010
8RQ6
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BU of 8rq6 by Molmil
Solution NMR structure of Amyloid beta precursor like protein 2 TMD
分子名称: Amyloid beta precursor like protein 2
著者Muhle-Goll, C, Moser, C.
登録日2024-01-17
公開日2024-06-26
実験手法SOLUTION NMR
主引用文献Substrate Selection Criteria in Regulated Intramembrane Proteolysis.
Acs Chem Neurosci, 15, 2024
5DGY
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BU of 5dgy by Molmil
Crystal structure of rhodopsin bound to visual arrestin
分子名称: Endolysin,Rhodopsin,S-arrestin
著者Zhou, X.E, Gao, X, Kang, Y, He, Y, de Waal, P.W, Suino-Powell, K.M, Wang, M, Melcher, K, Xu, H.E.
登録日2015-08-28
公開日2016-03-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (7.7 Å)
主引用文献X-ray laser diffraction for structure determination of the rhodopsin-arrestin complex.
Sci Data, 3, 2016
2Y4W
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BU of 2y4w by Molmil
Solution structure of human ubiquitin conjugating enzyme Rad6b
分子名称: UBIQUITIN-CONJUGATING ENZYME E2 B
著者Huang, A, Hibbert, R.G, deJong, R.N, Das, D, Sixma, T.K, Boelens, R.
登録日2011-01-11
公開日2011-05-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Symmetry and Asymmetry of the Ring-Ring Dimer of Rad18
J.Mol.Biol., 410, 2011
2XNF
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BU of 2xnf by Molmil
The Mediator Med25 activator interaction domain: Structure and cooperative binding of VP16 subdomains
分子名称: MEDIATOR OF RNA POLYMERASE II TRANSCRIPTION SUBUNIT 25
著者Vojnic, E, Mourao, A, Seizl, M, Simon, B, Wenzeck, L, Lariviere, L, Baumli, S, Meisterernst, M, Sattler, M, Cramer, P.
登録日2010-08-02
公開日2011-03-09
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure and Vp16 Binding of the Mediator Med25 Activator Interaction Domain.
Nat.Struct.Mol.Biol., 18, 2011
5DHK
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Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - alkylated
分子名称: 5-epi-aristolochene synthase, FARNESYL, MAGNESIUM ION
著者Noel, J.P, Kersten, R.K.
登録日2015-08-31
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Mechanism-Based Post-Translational Modification and Inactivation in Terpene Synthases.
Acs Chem.Biol., 10, 2015
2Y9K
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Three-dimensional model of Salmonella's needle complex at subnanometer resolution
分子名称: PROTEIN INVG
著者Schraidt, O, Marlovits, T.C.
登録日2011-02-15
公開日2011-03-23
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献Three-Dimensional Model of Salmonella'S Needle Complex at Subnanometer Resolution.
Science, 331, 2011

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