2BRB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2brb by Molmil](/molmil-images/mine/2brb) | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand Affinity | Descriptor: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION | Authors: | Foloppe, N, Fisher, L.M, Howes, R, Kierstan, P, Potter, A, Robertson, A.G.S, Surgenor, A.E. | Deposit date: | 2005-05-04 | Release date: | 2005-05-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-Based Design of Novel Chk1 Inhibitors: Insights Into Hydrogen Bonding and Protein-Ligand Affinity. J.Med.Chem., 48, 2005
|
|
6XKK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xkk by Molmil](/molmil-images/mine/6xkk) | Cryo-EM structure of the NLRP1-CARD filament | Descriptor: | NACHT, LRR and PYD domains-containing protein 1 | Authors: | Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H. | Deposit date: | 2020-06-26 | Release date: | 2020-11-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes. Nat Commun, 12, 2021
|
|
1MOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mot by Molmil](/molmil-images/mine/1mot) | NMR Structure Of Extended Second Transmembrane Domain Of Glycine Receptor alpha1 Subunit in SDS Micelles | Descriptor: | Glycine Receptor alpha-1 CHAIN | Authors: | Yushmanov, V.E, Mandal, P.K, Liu, Z, Tang, P, Xu, Y. | Deposit date: | 2002-09-09 | Release date: | 2003-09-23 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR Structure and Backbone Dynamics of the Extended Second Transmembrane Domain of the Human Neuronal Glycine Receptor Alpha1 Subunit Biochemistry, 42, 2003
|
|
6X6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x6c by Molmil](/molmil-images/mine/6x6c) | Cryo-EM structure of NLRP1-DPP9-VbP complex | Descriptor: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1, ... | Authors: | 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. | Deposit date: | 2020-05-27 | Release date: | 2021-03-10 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
|
|
6X6A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6x6a by Molmil](/molmil-images/mine/6x6a) | Cryo-EM structure of NLRP1-DPP9 complex | Descriptor: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1 | Authors: | 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. | Deposit date: | 2020-05-27 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation. Nature, 592, 2021
|
|
6XKJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xkj by Molmil](/molmil-images/mine/6xkj) | Cryo-EM structure of CARD8-CARD filament | Descriptor: | Caspase recruitment domain-containing protein 8 | Authors: | Hollingsworth, L.R, David, L, Li, Y, Sharif, H, Fontana, P, Fu, T, Wu, H. | Deposit date: | 2020-06-26 | Release date: | 2020-11-25 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Mechanism of filament formation in UPA-promoted CARD8 and NLRP1 inflammasomes. Nat Commun, 12, 2021
|
|
4Z90
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z90 by Molmil](/molmil-images/mine/4z90) | ELIC bound with the anesthetic isoflurane in the resting state | Descriptor: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Gamma-aminobutyric-acid receptor subunit beta-1 | Authors: | Chen, Q, Kinde, M, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2015-04-09 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC. Sci Rep, 5, 2015
|
|
3R5L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r5l by Molmil](/molmil-images/mine/3r5l) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase | Authors: | 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. | Deposit date: | 2011-03-18 | Release date: | 2012-01-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
|
|
3R5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r5r by Molmil](/molmil-images/mine/3r5r) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | Descriptor: | COENZYME F420, Deazaflavin-dependent nitroreductase | Authors: | 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. | Deposit date: | 2011-03-19 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
|
|
4Z91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4z91 by Molmil](/molmil-images/mine/4z91) | ELIC cocrystallized with isofluorane in a desensitized state | Descriptor: | (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane, 1.7.6 3-bromanylpropan-1-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Chen, Q, Kinde, M.N, Arjunan, P, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2015-04-09 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.3915 Å) | Cite: | Direct Pore Binding as a Mechanism for Isoflurane Inhibition of the Pentameric Ligand-gated Ion Channel ELIC. Sci Rep, 5, 2015
|
|
3R5Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r5z by Molmil](/molmil-images/mine/3r5z) | Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420 | Descriptor: | COENZYME F420, Putative uncharacterized protein, SULFATE ION | Authors: | 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. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.503 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
|
|
3R5P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r5p by Molmil](/molmil-images/mine/3r5p) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824 | Descriptor: | Deazaflavin-dependent nitroreductase, SULFATE ION | Authors: | 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. | Deposit date: | 2011-03-19 | Release date: | 2012-01-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
|
|
3R5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r5y by Molmil](/molmil-images/mine/3r5y) | Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420 | Descriptor: | COENZYME F420, Putative uncharacterized protein | Authors: | 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. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
|
|
3R5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r5w by Molmil](/molmil-images/mine/3r5w) | Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420 | Descriptor: | COENZYME F420, Deazaflavin-dependent nitroreductase | Authors: | 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. | Deposit date: | 2011-03-20 | Release date: | 2012-01-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824. Structure, 20, 2012
|
|
3QQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3qq5 by Molmil](/molmil-images/mine/3qq5) | Crystal structure of the [FeFe]-hydrogenase maturation protein HydF | Descriptor: | Small GTP-binding protein | Authors: | Cendron, L, Berto, P, D'Adamo, S, Vallese, F, Govoni, C, Posewitz, M.C, Giacometti, G.M, Costantini, P, Zanotti, G. | Deposit date: | 2011-02-15 | Release date: | 2011-11-16 | Last modified: | 2012-01-11 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Crystal Structure of HydF Scaffold Protein Provides Insights into [FeFe]-Hydrogenase Maturation. J.Biol.Chem., 286, 2011
|
|
7RPM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rpm by Molmil](/molmil-images/mine/7rpm) | |
2V7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v7a by Molmil](/molmil-images/mine/2v7a) | Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358 | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2007-07-27 | Release date: | 2007-09-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of the T315I Abl Mutant in Complex with the Aurora Kinases Inhibitor Pha-739358. Cancer Res., 67, 2007
|
|
2V79
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2v79 by Molmil](/molmil-images/mine/2v79) | Crystal Structure of the N-terminal domain of DnaD from Bacillus Subtilis | Descriptor: | CHLORIDE ION, DNA REPLICATION PROTEIN DNAD, SODIUM ION | Authors: | Schneider, S, Zhang, W, Soultanas, P, Paoli, M. | Deposit date: | 2007-07-27 | Release date: | 2008-01-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sxu by Molmil](/molmil-images/mine/5sxu) | X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a desensitized state | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, 3-AMINOPROPANE, ... | Authors: | Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2016-08-10 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC. Structure, 25, 2017
|
|
5SXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5sxv by Molmil](/molmil-images/mine/5sxv) | X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-BROMOETHANOL, Cys-loop ligand-gated ion channel | Authors: | Chen, Q, Kinde, M, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2016-08-10 | Release date: | 2017-06-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structural Basis of Alcohol Inhibition of the Pentameric Ligand-Gated Ion Channel ELIC. Structure, 25, 2017
|
|
2M6I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m6i by Molmil](/molmil-images/mine/2m6i) | Putative pentameric open-channel structure of full-length transmembrane domains of human glycine receptor alpha1 subunit | Descriptor: | Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit | Authors: | Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y. | Deposit date: | 2013-03-29 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain. Structure, 21, 2013
|
|
3PJR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3pjr by Molmil](/molmil-images/mine/3pjr) | HELICASE SUBSTRATE COMPLEX | Descriptor: | 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, ... | Authors: | Velankar, S.S, Soultanas, P, Dillingham, M.S, Subramanya, H.S, Wigley, D.B. | Deposit date: | 1999-03-12 | Release date: | 1999-04-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Crystal structures of complexes of PcrA DNA helicase with a DNA substrate indicate an inchworm mechanism Cell(Cambridge,Mass.), 97, 1999
|
|
2M6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m6b by Molmil](/molmil-images/mine/2m6b) | Structure of full-length transmembrane domains of human glycine receptor alpha1 monomer subunit | Descriptor: | Full-Length Transmembrane Domains of Human Glycine Receptor alpha1 Subunit | Authors: | Mowrey, D, Cui, T, Jia, Y, Ma, D, Makhov, A.M, Zhang, P, Tang, P, Xu, Y. | Deposit date: | 2013-03-28 | Release date: | 2013-09-04 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Open-Channel Structures of the Human Glycine Receptor alpha 1 Full-Length Transmembrane Domain. Structure, 21, 2013
|
|
4F8H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4f8h by Molmil](/molmil-images/mine/4f8h) | X-ray Structure of the Anesthetic Ketamine Bound to the GLIC Pentameric Ligand-gated Ion Channel | Descriptor: | (R)-ketamine, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Proton-gated ion channel, ... | Authors: | Pan, J.J, Chen, Q, Willenbring, D, Kong, X.P, Cohen, A, Xu, Y, Tang, P. | Deposit date: | 2012-05-17 | Release date: | 2012-08-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structure of the Pentameric Ligand-Gated Ion Channel GLIC Bound with Anesthetic Ketamine. Structure, 20, 2012
|
|
3RQW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rqw by Molmil](/molmil-images/mine/3rqw) | Crystal structure of acetylcholine bound to a prokaryotic pentameric ligand-gated ion channel, ELIC | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETYLCHOLINE, ELIC Pentameric Ligand Gated Ion Channel from Erwinia Chrysanthemi, ... | Authors: | Pan, J.J, Chen, Q, Yoshida, K, Cohen, A, Kong, X.P, Xu, Y, Tang, P. | Deposit date: | 2011-04-28 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.913 Å) | Cite: | Structure of the pentameric ligand-gated ion channel ELIC cocrystallized with its competitive antagonist acetylcholine. Nat Commun, 3, 2012
|
|