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2FZK
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BU of 2fzk by Molmil
The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.50 Resolution
分子名称: 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID, Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, ...
著者Heng, S, Stieglitz, K.A, Eldo, J, Xia, J, Cardia, J.P, Kantrowitz, E.R.
登録日2006-02-09
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献T-state Inhibitors of E. coli Aspartate Transcarbamoylase that Prevent the Allosteric Transition.
Biochemistry, 45, 2006
2FYI
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BU of 2fyi by Molmil
Crystal Structure of the Cofactor-Binding Domain of the Cbl Transcriptional Regulator
分子名称: HTH-type transcriptional regulator cbl
著者Stec, E, Neumann, P, Wilkinson, A.J, Brzozowski, A.M, Bujacz, G.D.
登録日2006-02-08
公開日2006-02-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of the Sulphate Starvation Response in E. coli: Crystal Structure and Mutational Analysis of the Cofactor-binding Domain of the Cbl Transcriptional Regulator.
J.Mol.Biol., 364, 2006
2FZC
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The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.10 Resolution
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Heng, S, Stieglitz, K.A, Eldo, J, Xia, J, Cardia, J.P, Kantrowitz, E.R.
登録日2006-02-09
公開日2006-08-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献T-state Inhibitors of E. coli Aspartate Transcarbamoylase that Prevent the Allosteric Transition.
Biochemistry, 45, 2006
5TN8
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BU of 5tn8 by Molmil
Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with (E)-4'-hydroxy-3-((hydroxyiminio)methyl)-[1,1'-biphenyl]-4-olate
分子名称: 3-[(Z)-(hydroxyimino)methyl][1,1'-biphenyl]-4,4'-diol, Estrogen receptor, Nuclear receptor coactivator 2
著者Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Minutolo, F, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W.
登録日2016-10-13
公開日2017-01-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.652 Å)
主引用文献Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies.
Cell Chem Biol, 24, 2017
7QFM
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BU of 7qfm by Molmil
Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide
分子名称: 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ...
著者Hochban, P.M.M, Heine, A, Diederich, W.E.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
8JJR
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Cryo-EM structure of Symbiodinium photosystem I
分子名称: (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
著者Zhao, L.S, Wang, N, Li, K, Zhang, Y.Z, Liu, L.N.
登録日2023-05-31
公開日2024-05-15
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Architecture of symbiotic dinoflagellate photosystem I-light-harvesting supercomplex in Symbiodinium.
Nat Commun, 15, 2024
7MT4
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Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, AMMONIUM ION, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MT5
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Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, CESIUM ION, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MT6
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Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI)
分子名称: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BENZIMIDAZOLE, ...
著者Drago, V, Hilario, E, Dunn, M.F, Mueser, T.C, Mueller, L.J.
登録日2021-05-12
公開日2021-12-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Proc.Natl.Acad.Sci.USA, 119, 2022
7ZQN
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d(CGCGCG)2 Z-DNA AT 5400 BARS (540 MPa)
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Prange, T, Colloc'h, N, Girard, E.
登録日2022-05-01
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Behavior of B- and Z-DNA Crystals under High Hydrostatic Pressure
Crystals, 2022
7ZQO
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BU of 7zqo by Molmil
d(CGCGCG)2 Z-DNA AT 7150 BARS (715 MPa)
分子名称: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
著者Prange, T, Colloc'h, N, Girard, E.
登録日2022-05-01
公開日2023-03-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Behavior of B- and Z-DNA Crystals under High Hydrostatic Pressure
Crystals, 2022
6FXC
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BU of 6fxc by Molmil
The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Matzov, D, Aibara, S, Zimmerman, E, Bashan, A, Kidmose, R, Amunts, A, Yonath, A.
登録日2018-03-08
公開日2018-03-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (6.76 Å)
主引用文献The cryo-EM structure of hibernating 100S ribosome dimer from pathogenic Staphylococcus aureus.
Nat Commun, 8, 2017
4ALX
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BU of 4alx by Molmil
Crystal Structure of Ls-AChBP complexed with the potent nAChR antagonist DHbE
分子名称: (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one, ACETYLCHOLINE BINDING PROTEIN, MAGNESIUM ION, ...
著者Shahsavar, A, Kastrup, J.S, Nielsen, E.O, Kristensen, J.L, Gajhede, M, Balle, T.
登録日2012-03-06
公開日2012-08-29
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure of Lymnaea Stagnalis Achbp Complexed with the Potent Nachr Antagonist Dh-Betab-E Suggests a Unique Mode of Antagonism
Plos One, 7, 2012
2A0F
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BU of 2a0f by Molmil
Structure of D236A mutant E. coli Aspartate Transcarbamoylase in presence of Phosphonoacetamide at 2.90 A resolution
分子名称: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, PHOSPHONOACETAMIDE, ...
著者Stieglitz, K.A, Dusinberre, K.J, Cardia, J.P, Tsuruta, H, Kantrowitz, E.R.
登録日2005-06-16
公開日2005-09-27
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the E.coli Aspartate Transcarbamoylase Trapped in the Middle of the Catalytic Cycle.
J.Mol.Biol., 352, 2005
3QIW
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BU of 3qiw by Molmil
Crystal structure of the 226 TCR in complex with MCC-p5E/I-Ek
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, E-K alpha chain, ...
著者Kruse, A.C, Ely, L.K, Newell, E.W, Davis, M.M, Garcia, K.C.
登録日2011-01-27
公開日2011-04-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural basis of specificity and cross-reactivity in T cell receptors specific for cytochrome c-I-E(k).
J.Immunol., 186, 2011
6I2K
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BU of 6i2k by Molmil
Structure of EV71 complexed with its receptor SCARB2
分子名称: 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, D, Zhao, Y, Kotecha, A, Fry, E.E, Kelly, J, Wang, X, Rao, Z, Rowlands, D.J, Ren, J, Stuart, D.I.
登録日2018-11-01
公開日2018-11-28
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Unexpected mode of engagement between enterovirus 71 and its receptor SCARB2.
Nat Microbiol, 4, 2019
8BEO
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BU of 8beo by Molmil
Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE, ...
著者Shaanan, B, Binshtein, E.
登録日2022-10-21
公開日2023-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystal structure of E. coli glyoxylate carboligase mutant I393A with MAP
To Be Published
8UC8
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BU of 8uc8 by Molmil
HCN1 nanodisc
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Kim, E.D, Nimigean, C.M.
登録日2023-09-25
公開日2024-07-31
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
8UC7
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HCN1 complex with propofol
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Kim, E.D, Nimigean, C.M.
登録日2023-09-25
公開日2024-07-31
最終更新日2024-08-28
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
9BC6
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BU of 9bc6 by Molmil
HCN1 M305L with propofol
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Kim, E.D, Nimigean, C.M.
登録日2024-04-07
公開日2024-07-31
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
9BC7
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HCN1 M305L holo
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1
著者Kim, E.D, Nimigean, C.M.
登録日2024-04-08
公開日2024-07-31
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
5XQ5
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BU of 5xq5 by Molmil
NMR structure of the domain 5 of the E. coli ribosomal protein S1
分子名称: 30S ribosomal protein S1
著者Lu, Y, Lim, L.Z, Song, J.
登録日2017-06-06
公開日2018-06-06
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of the domain 5 of the E. coli ribosomal protein S1
To Be Published
1KMI
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BU of 1kmi by Molmil
CRYSTAL STRUCTURE OF AN E.COLI CHEMOTAXIS PROTEIN, CHEZ
分子名称: BERYLLIUM TRIFLUORIDE ION, BICINE, Chemotaxis protein cheY, ...
著者Zhao, R, Collins, E.J, Bourret, R.B, Silversmith, R.E.
登録日2001-12-16
公開日2002-07-24
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure and catalytic mechanism of the E. coli chemotaxis phosphatase CheZ.
Nat.Struct.Biol., 9, 2002
1VUB
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BU of 1vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM E. COLI
分子名称: CCDB, CHLORIDE ION
著者Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
登録日1998-04-17
公開日1998-07-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
5FMG
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Structure and function based design of Plasmodium-selective proteasome inhibitors
分子名称: (2S)-N-[(E,2S)-1-(1H-indol-3-yl)-4-methylsulfonyl-but-3-en-2-yl]-2-[[(2S)-3-(1H-indol-3-yl)-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]-4-methyl-pentanamide, BETA3 PROTEASOME SUBUNIT, PUTATIVE, ...
著者Li, H, O'Donoghue, A.J, van der Linden, W.A, Xie, S.C, Yoo, E, Foe, I.T, Tilley, L, Craik, C.S, da Fonseca, P.C.A, Bogyo, M.
登録日2015-11-04
公開日2016-03-02
最終更新日2017-08-23
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and Function Based Design of Plasmodium-Selective Proteasome Inhibitors
Nature, 530, 2016

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