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8Q6J
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BU of 8q6j by Molmil
Atomic structure and conformational variability of the HER2-Trastuzumab-Pertuzumab complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pertuzumab Fab heavy chain, Pertuzumab Fab light chain, ...
Authors:Ruedas, R, Vuillemot, R, Tubiana, T, Winter, J.M, Pieri, L, Arteni, A.A, Samson, C, Jonic, J, Mathieu, M, Bressanelli, S.
Deposit date:2023-08-11
Release date:2023-09-20
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure and conformational variability of the HER2-trastuzumab-pertuzumab complex.
J.Struct.Biol., 216, 2024
7NRR
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BU of 7nrr by Molmil
The structure of the SBP TarP_Csal in complex with caffeate
Descriptor: CAFFEIC ACID, MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-04
Release date:2021-10-06
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NR2
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BU of 7nr2 by Molmil
The structure of the SBP TarP_Sse in complex with coumarate
Descriptor: 4'-HYDROXYCINNAMIC ACID, SULFATE ION, TRAP dicarboxylate transporter, ...
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-02
Release date:2021-10-06
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
4DHP
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BU of 4dhp by Molmil
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Descriptor: 14-3-3 protein sigma, CHLORIDE ION, GLYCEROL, ...
Authors:Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C.
Deposit date:2012-01-30
Release date:2013-07-31
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
7NQG
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BU of 7nqg by Molmil
The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate
Descriptor: 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ...
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-01
Release date:2021-10-06
Last modified:2022-01-26
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
7NRA
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BU of 7nra by Molmil
The structure of the SBP TarP_Sse in complex with cinnamate
Descriptor: HYDROCINNAMIC ACID, TRAP dicarboxylate transporter, DctP subunit
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-03
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
4PVU
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BU of 4pvu by Molmil
Crystal structure of the complex between PPARgamma-LBD and the R enantiomer of Mbx-102 (Metaglidasen)
Descriptor: (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R, Capelli, D, Loiodice, F, Laghezza, A, Piemontese, L, Lavecchia, A.
Deposit date:2014-03-18
Release date:2015-02-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles.
Chemmedchem, 10, 2015
7NSW
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BU of 7nsw by Molmil
The structure of the SBP TarP_Csal in complex with coumarate
Descriptor: 1,2-ETHANEDIOL, 4'-HYDROXYCINNAMIC ACID, MAGNESIUM ION, ...
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-08
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
6YJV
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BU of 6yjv by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YKO
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BU of 6yko by Molmil
Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a
Descriptor: 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ...
Authors:Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2020-04-06
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
4QDK
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BU of 4qdk by Molmil
Crystal structure of magnesium protoporphyrin IX methyltransferase (ChlM) from Synechocystis PCC 6803 with bound SAH
Descriptor: GLYCEROL, Magnesium-protoporphyrin O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, X, Wang, X, Liu, L.
Deposit date:2014-05-14
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the catalytic mechanism of Synechocystis magnesium protoporphyrin IX O-methyltransferase (ChlM).
J.Biol.Chem., 289, 2014
7NTD
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BU of 7ntd by Molmil
The structure of the SBP TarP_Csal in complex with ferulate
Descriptor: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, MAGNESIUM ION, SULFATE ION, ...
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-09
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
2RNY
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BU of 2rny by Molmil
Complex Structures of CBP Bromodomain with H4 ack20 Peptide
Descriptor: CREB-binding protein, Histone H4
Authors:Zeng, L, Zhang, Q, Gerona-Navarro, G, Zhou, M.M.
Deposit date:2008-02-03
Release date:2008-05-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structural Basis of Site-Specific Histone Recognition by the Bromodomains of Human Coactivators PCAF and CBP/p300
Structure, 16, 2008
6Y0C
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BU of 6y0c by Molmil
Influenza C virus polymerase in complex with human ANP32A - Subclass 2
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*UP*UP*UP*U)-3'), ...
Authors:Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E.
Deposit date:2020-02-07
Release date:2020-11-25
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
6Y22
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BU of 6y22 by Molmil
RING-DTC domains of Deltex 2, Form 1
Descriptor: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Gabrielssen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-14
Release date:2020-09-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
4PZP
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BU of 4pzp by Molmil
Substrate-free structure of D-alanine carrier protein ligase DltA from Bacillus cereus
Descriptor: D-alanine--poly(phosphoribitol) ligase subunit 1
Authors:Du, L, Atila, M, Luo, Y.
Deposit date:2014-03-31
Release date:2014-11-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thiolation-enhanced substrate recognition by D-alanyl carrier protein ligase DltA from Bacillus cereus.
F1000Res, 3, 2014
7NTE
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BU of 7nte by Molmil
The structure of an open conformation of the SBP TarP_Csal
Descriptor: MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit
Authors:Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
Deposit date:2021-03-09
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
1JNH
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BU of 1jnh by Molmil
Crystal Structure of Fab-Estradiol Complexes
Descriptor: ESTRADIOL-6 CARBOXYL-METHYL-OXIME, monoclonal anti-estradiol 10G6D6 Fab heavy chain, monoclonal anti-estradiol 10G6D6 Fab light chain
Authors:Monnet, C, Bettsworth, F, Stura, E.A, Le Du, M.-H, Menez, R, Derrien, L, Zinn-Justin, S, Gilquin, B, Sibai, G, Battail-Poirot, N, Jolivet, M, Menez, A, Arnaud, M, Ducancel, F, Charbonnier, J.B.
Deposit date:2001-07-24
Release date:2002-02-06
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Highly specific anti-estradiol antibodies: structural characterisation and binding diversity.
J.Mol.Biol., 315, 2002
2ROP
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BU of 2rop by Molmil
Solution structure of domains 3 and 4 of human ATP7B
Descriptor: Copper-transporting ATPase 2
Authors:Banci, L, Bertini, I, Cantini, F, Rosenzweig, A.C, Yatsunyk, L.A.
Deposit date:2008-04-04
Release date:2008-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Metal binding domains 3 and 4 of the Wilson disease protein: solution structure and interaction with the copper(I) chaperone HAH1
Biochemistry, 47, 2008
4Q7H
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BU of 4q7h by Molmil
Crystal structure of SAMHD1 catalytic core with GTP
Descriptor: Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ZINC ION
Authors:Xiaohong, Q, Yanhong, L, Jia, K, Xiaofang, Y.
Deposit date:2014-04-25
Release date:2015-05-27
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (2.587 Å)
Cite:Structural insight into activation mechanism of SAMHD1
To be Published
6Y7D
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BU of 6y7d by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H433A
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Zhang, L, Kroneck, P.M.H, Einsle, O.
Deposit date:2020-02-28
Release date:2021-01-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
6Y83
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BU of 6y83 by Molmil
Capsid structure of Leishmania RNA virus 1
Descriptor: Capsid protein
Authors:Prochazkova, M, Fuzik, T, Grybtchuk, D, Falginella, F, Podesvova, L, Yurchenko, V, Vacha, R, Plevka, P.
Deposit date:2020-03-03
Release date:2020-11-11
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.65 Å)
Cite:Capsid Structure of Leishmania RNA Virus 1.
J.Virol., 95, 2021
2RLJ
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BU of 2rlj by Molmil
NMR Structure of Ebola fusion peptide in SDS micelles at pH 7
Descriptor: Envelope glycoprotein
Authors:Freitas, M.S, Gaspar, L.P, Lorenzoni, M, Almeida, F.C, Tinoco, L.W, Almeida, M.S, Maia, L.F, Degreve, L, Valente, A.P, Silva, J.L.
Deposit date:2007-07-05
Release date:2007-08-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the Ebola fusion peptide in a membrane-mimetic environment and the interaction with lipid rafts.
J.Biol.Chem., 282, 2007
1JLD
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BU of 1jld by Molmil
Potent hiv protease inhibitors containing a novel (hydroxyethyl)amide isostere
Descriptor: (2S)-2-tert-butyl-N~4~-(1-ethylpropyl)-N~1~-[(2R,3S)-2-hydroxy-4-phenyl-3-{[N-(quinolin-2-ylcarbonyl)-L-threonyl]amino}butyl]butanediamide, Pol polyprotein
Authors:Tong, L.
Deposit date:1997-05-31
Release date:1997-12-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent HIV protease inhibitors containing a novel (hydroxyethyl)amide isostere.
J.Med.Chem., 40, 1997
8D9N
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BU of 8d9n by Molmil
CryoEM structures of bAE1 captured in multiple states.
Descriptor: Anion exchange protein
Authors:Zhekova, H.R, Wang, W.G, Jiang, J.S, Tsirulnikov, K, Muhammad-Khan, G.H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Tieleman, P, Zhou, Z.H, Pushkin, A, Kurtz, I.
Deposit date:2022-06-10
Release date:2023-01-25
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:CryoEM structures of anion exchanger 1 capture multiple states of inward- and outward-facing conformations.
Commun Biol, 5, 2022

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數據於2024-08-21公開中

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