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7AXI
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BU of 7axi by Molmil
Crystal structure of the hPXR-LBD in complex with estradiol and cis-chlordane
分子名称: (+)cis-chlordane, (-)cis-chlordane, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Huet, T, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
7AXF
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BU of 7axf by Molmil
Crystal structure of the hPXR-LBD in complex with pretilachlor
分子名称: ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, pretilachlor
著者Harrus, D, Delfosse, V, Bourguet, W.
登録日2020-11-09
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures.
Proc.Natl.Acad.Sci.USA, 118, 2021
2M5J
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BU of 2m5j by Molmil
Solution structure of the periplasmic signaling domain of HasR, a TonB-dependent outer membrane heme transporter
分子名称: HasR protein
著者Malki, I, Cardoso de Amorim, G, Prochnicka-Chalufour, A, Simenel, C, Delepierre, M, Izadi-Pruneyre, N.
登録日2013-02-26
公開日2014-03-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction of a Partially Disordered Antisigma Factor with Its Partner, the Signaling Domain of the TonB-Dependent Transporter HasR
Plos One, 9, 2014
4TT5
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BU of 4tt5 by Molmil
Crystal Structure of CYP119 from Sulfolobus acidocaldarius, complexed with 4-(4-bromophenyl)-1H imidazole
分子名称: 4-(4-bromophenyl)-1H-imidazole, Cytochrome P450 119, GLYCEROL, ...
著者Madrona, Y.
登録日2014-06-19
公開日2015-02-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献NMR and X-ray Analysis of CYP119 ligand-dependent conformational changes
To Be Published
6WBS
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BU of 6wbs by Molmil
Human CFTR first nucleotide binding domain with dF508/V510D
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
著者Simon, K.S, Kothe, M, Hilbert, B, Batchelor, J.D, Hurlbut, G.D.
登録日2020-03-27
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.857 Å)
主引用文献Determining the Molecular Mechanism of Suppressor Mutation V510D and the Contribution of Helical Unraveling to the dF508-CFTR Defect
To Be Published
5JCZ
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BU of 5jcz by Molmil
Rab11 bound to MyoVa-GTD
分子名称: 1,2-ETHANEDIOL, ACETATE ION, BERYLLIUM TRIFLUORIDE ION, ...
著者Pylypenko, O, Attanda, W, Gauquelin, C, Malherbes, G, Houdusse, A.
登録日2016-04-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.056 Å)
主引用文献Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
5JCY
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BU of 5jcy by Molmil
Spir2-GTBM bound to MyoVa-GTD
分子名称: Protein spire homolog 2, Unconventional myosin-Va
著者Pylypenko, O, Malherbes, G, Welz, T, Kerkhoff, E, Houdusse, A.
登録日2016-04-15
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Coordinated recruitment of Spir actin nucleators and myosin V motors to Rab11 vesicle membranes.
Elife, 5, 2016
6WQF
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BU of 6wqf by Molmil
Structural Plasticity of the SARS-CoV-2 3CL Mpro Active Site Cavity Revealed by Room Temperature X-ray Crystallography
分子名称: 3C-like proteinase
著者Kneller, D.W, Kovalevsky, A, Coates, L.
登録日2020-04-28
公開日2020-05-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural plasticity of SARS-CoV-2 3CL Mproactive site cavity revealed by room temperature X-ray crystallography.
Nat Commun, 11, 2020
4TRI
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BU of 4tri by Molmil
X-ray crystal structure of CYP142A2 from Mycobacterium smegmatis, complexed with cholesterol sulfate.
分子名称: CHOLEST-5-EN-3-YL HYDROGEN SULFATE, GLYCEROL, P450 heme-thiolate protein, ...
著者Madrona, Y, Ortiz de Montellano, P.
登録日2014-06-17
公開日2014-09-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Cholesterol ester oxidation by mycobacterial cytochrome p450.
J.Biol.Chem., 289, 2014
7BNW
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BU of 7bnw by Molmil
Llama nanobody nb18 raised against GldL from Flavobacterium jonhsoniae
分子名称: nanobody nb18
著者Trinh, N.T, Cambillau, C, Leone, P.
登録日2021-01-22
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structures of two camelid nanobodies raised against GldL, a component of the type IX secretion system from Flavobacterium johnsoniae.
Acta Crystallogr.,Sect.F, 77, 2021
7BNP
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BU of 7bnp by Molmil
Llama nanobody nb17 raised against GldL from Flavobacterium jonhsoniae
分子名称: nanobody nb17
著者Trinh, N.T, Cambillau, C, Leone, P.
登録日2021-01-22
公開日2021-05-26
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of two camelid nanobodies raised against GldL, a component of the type IX secretion system from Flavobacterium johnsoniae.
Acta Crystallogr.,Sect.F, 77, 2021
2OXE
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BU of 2oxe by Molmil
Structure of the Human Pancreatic Lipase-related Protein 2
分子名称: CALCIUM ION, CHLORIDE ION, Pancreatic lipase-related protein 2, ...
著者Walker, J.R, Davis, T, Seitova, A, Finerty Jr, P.J, Butler-Cole, C, Kozieradzki, I, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-02-20
公開日2007-03-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of human pancreatic lipase-related protein 2 with the lid in an open conformation.
Biochemistry, 47, 2008
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
分子名称: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-03-04
公開日2022-03-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
分子名称: BROMIDE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
著者Zhou, Q, Zhang, Z, He, Y, Jin, Y.
登録日2021-04-09
公開日2022-04-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
分子名称: BICARBONATE ION, Beta-lactamase
著者Zhou, Q, He, Y, Jin, Y.
登録日2021-04-16
公開日2022-05-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
3BYM
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BU of 3bym by Molmil
X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck
分子名称: N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Huang, X.
登録日2008-01-16
公開日2008-09-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51, 2008
3BYO
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BU of 3byo by Molmil
X-Ray co-crystal structure of 2-amino-6-phenylpyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one 25 bound to Lck
分子名称: 6-(2,6-dimethylphenyl)-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-one, Proto-oncogene tyrosine-protein kinase LCK, SULFATE ION
著者Huang, X.
登録日2008-01-16
公開日2008-12-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design of novel 2-amino-6-phenyl-pyrimido[5',4':5,6]pyrimido[1,2-a]benzimidazol-5(6H)-ones as potent and orally active inhibitors of lymphocyte specific kinase (Lck): synthesis, SAR, and in vivo anti-inflammatory activity.
J.Med.Chem., 51, 2008
7BL7
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BU of 7bl7 by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (P21212 form)
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
著者Walter, P, Labesse, G, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
登録日2021-01-18
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
7BIX
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BU of 7bix by Molmil
Crystal structure of UMPK from M. tuberculosis in complex with UDP and UTP (C2 form)
分子名称: URIDINE 5'-TRIPHOSPHATE, URIDINE-5'-DIPHOSPHATE, Uridylate kinase
著者Labesse, G, Walter, P, Haouz, A, Mechaly, A.E, Munier-Lehmann, H.
登録日2021-01-13
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.12 Å)
主引用文献Structural basis for the allosteric inhibition of UMP kinase from Gram-positive bacteria, a promising antibacterial target.
Febs J., 289, 2022
6HW1
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BU of 6hw1 by Molmil
ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ...
著者Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C.
登録日2018-10-11
公開日2018-10-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
3Q0W
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BU of 3q0w by Molmil
ETHR From mycobacterium tuberculosis in complex with compound BDM33066
分子名称: (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, GLYCEROL, HTH-type transcriptional regulator EthR
著者Flipo, M, Desrose, M, Dirie, B, Carette, X, Leroux, F, Lens, Z, Rucktooa, P, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N.
登録日2010-12-16
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2012
6IBQ
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BU of 6ibq by Molmil
Structure of a nonameric RNA duplex at room temperature in ChipX microfluidic device
分子名称: DNA/RNA (5'-R(*CP*GP*UP*GP*AP*UP*CP*G)-D(P*C)-3'), SULFATE ION
著者de Wijn, R, Olieric, V, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6IBP
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BU of 6ibp by Molmil
Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device
分子名称: CCA-adding enzyme
著者de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C.
登録日2018-11-30
公開日2019-05-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.536 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
7QRG
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BU of 7qrg by Molmil
Structure of the post-fusion complex between precursor membrane ectodomain (prM) and envelope ectodomain protein (E) from tick-borne encephalitis virus
分子名称: Envelope protein E, GLYCEROL, Genome polyprotein
著者Vaney, M.C, Rouvinski, A, Rey, F.A.
登録日2022-01-11
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Evolution and activation mechanism of the flavivirus class II membrane-fusion machinery.
Nat Commun, 13, 2022

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