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2BRB
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BU of 2brb by Molmil
Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity
分子名称: 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
著者Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E.
登録日2005-05-04
公開日2005-05-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity.
J.Med.Chem., 48, 2005
6XKK
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BU of 6xkk by Molmil
Cryo-EM structure of the NLRP1-CARD filament
分子名称: NACHT, LRR and PYD domains-containing protein 1
著者Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H.
登録日2020-06-26
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.72 Å)
主引用文献Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes.
Nat Commun, 12, 2021
1MOT
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BU of 1mot by Molmil
NMR Structure Of Extended Second Transmembrane Domain Of Glycine Receptor alpha1 Subunit in SDS Micelles
分子名称: Glycine Receptor alpha-1 CHAIN
著者Yushmanov, V.E, Mandal, P.K, Liu, Z, Tang, P, Xu, Y.
登録日2002-09-09
公開日2003-09-23
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献NMR Structure and Backbone Dynamics of the Extended Second Transmembrane Domain of the Human Neuronal Glycine Receptor Alpha1 Subunit
Biochemistry, 42, 2003
6X6C
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BU of 6x6c by Molmil
Cryo-EM structure of NLRP1-DPP9-VbP complex
分子名称: Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1, ...
著者Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H.
登録日2020-05-27
公開日2021-03-10
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation.
Nature, 592, 2021
6X6A
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BU of 6x6a by Molmil
Cryo-EM structure of NLRP1-DPP9 complex
分子名称: Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1
著者Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H.
登録日2020-05-27
公開日2021-03-10
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation.
Nature, 592, 2021
6XKJ
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BU of 6xkj by Molmil
Cryo-EM structure of CARD8-CARD filament
分子名称: Caspase recruitment domain-containing protein 8
著者Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H.
登録日2020-06-26
公開日2020-11-25
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.54 Å)
主引用文献Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes.
Nat Commun, 12, 2021
4Z90
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BU of 4z90 by Molmil
ELIC bound with the anesthetic isoflurane in the resting state
分子名称: (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Gamma-aminobutyric-acid receptor subunit beta-1
著者Chen, Q, Kinde, M, Arjunan, P, Cohen, A, Xu, Y, Tang, P.
登録日2015-04-09
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
3R5L
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Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-18
公開日2012-01-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5R
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BU of 3r5r by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
4Z91
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ELIC cocrystallized with isofluorane in a desensitized state
分子名称: (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
著者Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P.
登録日2015-04-09
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.3915 Å)
主引用文献Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC.
Sci Rep, 5, 2015
3R5Z
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BU of 3r5z by Molmil
Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5P
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BU of 3r5p by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: Deazaflavin-dependent nitroreductase, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Y
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BU of 3r5y by Molmil
Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5W
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BU of 3r5w by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3QQ5
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BU of 3qq5 by Molmil
Crystal structure of the [FeFe]-hydrogenase maturation protein HydF
分子名称: Small GTP-binding protein
著者Cendron, L, Berto, P, D'Adamo, S, Vallese, F, Govoni, C, Posewitz, M.C, Giacometti, G.M, Costantini, P, Zanotti, G.
登録日2011-02-15
公開日2011-11-16
最終更新日2012-01-11
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Crystal Structure of HydF Scaffold Protein Provides Insights into [FeFe]-Hydrogenase Maturation.
J.Biol.Chem., 286, 2011
7RPM
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BU of 7rpm by Molmil
Structures of the Intracellular Domain and Transmembrane Domain of the Human alpha7 Nicotinic Acetylcholine Receptors
分子名称: Neuronal acetylcholine receptor subunit alpha-7
著者Bondarenko, V, Chen, Q, Tang, P.
登録日2021-08-03
公開日2022-01-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of highly flexible intracellular domain of human alpha 7 nicotinic acetylcholine receptor.
Nat Commun, 13, 2022
2V7A
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BU of 2v7a by Molmil
Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358
分子名称: MAGNESIUM ION, N-[(3E)-5-[(2R)-2-METHOXY-2-PHENYLACETYL]PYRROLO[3,4-C]PYRAZOL-3(5H)-YLIDENE]-4-(4-METHYLPIPERAZIN-1-YL)BENZAMIDE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE ABL1
著者Modugno, M, Casale, E, Soncini, C, Rosettani, P, Colombo, R, Lupi, R, Rusconi, L, Fancelli, D, Carpinelli, P, Cameron, A.D, Isacchi, A, Moll, J.
登録日2007-07-27
公開日2007-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358.
Cancer Res., 67, 2007
2V79
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BU of 2v79 by Molmil
Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis
分子名称: CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION
著者Schneider, S, Zhang, W, Soultanas, P, Paoli, M.
登録日2007-07-27
公開日2008-01-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the N-Terminal Oligomerization Domain of Dnad Reveals a Unique Tetramerization Motif and Provides Insights Into Scaffold Formation.
J.Mol.Biol., 376, 2008
5SXU
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BU of 5sxu by Molmil
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a desensitized state
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, 3-AMINOPROPANE, ...
著者Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P.
登録日2016-08-10
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC.
Structure, 25, 2017
5SXV
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X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, Cys-loop ligand-gated ion channel
著者Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P.
登録日2016-08-10
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC.
Structure, 25, 2017
2M6I
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BU of 2m6i by Molmil
Putative pentameric open-channel structure of full-length transmembrane domains of human glycine receptor alpha1 subunit
分子名称: Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit
著者Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y.
登録日2013-03-29
公開日2013-09-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain.
Structure, 21, 2013
3PJR
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BU of 3pjr by Molmil
HELICASE SUBSTRATE COMPLEX
分子名称: 5'-D(*CP*GP*AP*GP*CP*AP*CP*TP*GP*C)-3', 5'-D(*GP*CP*AP*GP*TP*GP*CP*TP*CP*GP*TP*TP*TP*TP*T)-3', ADENOSINE-5'-TRIPHOSPHATE, ...
著者Velankar, S.S, Soultanas, P, Dillingham, M.S, Subramanya, H.S, Wigley, D.B.
登録日1999-03-12
公開日1999-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystal structures of complexes of PcrA DNA helicase with a DNA substrate indicate an inchworm mechanism
Cell(Cambridge,Mass.), 97, 1999
2M6B
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BU of 2m6b by Molmil
Structure of full-length transmembrane domains of human glycine receptor alpha1 monomer subunit
分子名称: Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit
著者Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y.
登録日2013-03-28
公開日2013-09-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain.
Structure, 21, 2013
4F8H
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BU of 4f8h by Molmil
X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel
分子名称: (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ...
著者Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P.
登録日2012-05-17
公開日2012-08-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine.
Structure, 20, 2012
3RQW
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Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ...
著者Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P.
登録日2011-04-28
公開日2012-03-07
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine.
Nat Commun, 3, 2012

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