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6PZC
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BU of 6pzc by Molmil
Cryo-EM structure of the pancreatic beta-cell SUR1 bound to carbamazepine
Descriptor: ATP-binding cassette sub-family C member 8
Authors:Shyng, S.L, Yoshioka, C, Martin, G.M, Sung, M.W.
Deposit date:2019-07-31
Release date:2019-08-14
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.34 Å)
Cite:Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Elife, 8, 2019
6O8I
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BU of 6o8i by Molmil
BTK In Complex With Inhibitor
Descriptor: 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK
Authors:Pokross, M, Tebben, A.J, Watterson, S.H.
Deposit date:2019-03-11
Release date:2019-04-03
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
4D25
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BU of 4d25 by Molmil
Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA and AMPPNP
Descriptor: 5'-R(*UP*GP*AP*CP*AP*UP)-3', BMVLG PROTEIN, GLYCEROL, ...
Authors:Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
Deposit date:2014-05-07
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
4D26
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BU of 4d26 by Molmil
Crystal structure of the Bombyx mori Vasa helicase (E339Q) in complex with RNA,ADP and Pi
Descriptor: 5'-R(*UP*GP*AP*CP*AP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, BMVLG PROTEIN, ...
Authors:Spinelli, P, Pillai, R.S, Kadlec, J, Cusack, S.
Deposit date:2014-05-07
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:RNA Clamping by Vasa Assembles a Pirna Amplifier Complex on Transposon Transcripts.
Cell(Cambridge,Mass.), 157, 2014
4DBR
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BU of 4dbr by Molmil
Myosin VI D179Y (MD) pre-powerstroke state
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Pylypenko, O, Sweeney, H.L, Houdusse, A.
Deposit date:2012-01-16
Release date:2013-01-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
4DBP
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BU of 4dbp by Molmil
Myosin VI nucleotide-free (MDINSERT2) D179Y crystal structure
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin, ...
Authors:Pylypenko, O, Sweeney, H.L, Houdusse, A.
Deposit date:2012-01-16
Release date:2013-01-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mutations in myosin VI that cause a loss of coordination between heads provide insights into the structural changes underlying force generation and the importance of gating
To be Published
8XZG
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BU of 8xzg by Molmil
Cryo-EM structure of the [Pyr1]-apelin-13-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Apelin-13, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-27
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZF
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BU of 8xzf by Molmil
Cryo-EM structure of the WN561-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZJ
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BU of 8xzj by Molmil
Cryo-EM structure of the WN353-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZI
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BU of 8xzi by Molmil
Cryo-EM structure of the CMF-019-bound human APLNR-Gi complex
Descriptor: (3~{S})-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]carbonylamino]hexanoic acid, Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
8XZH
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BU of 8xzh by Molmil
Cryo-EM structure of the MM07-bound human APLNR-Gi complex
Descriptor: Apelin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Wang, W, Ji, S, Zhang, Y.
Deposit date:2024-01-21
Release date:2024-03-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structure-based design of non-hypertrophic apelin receptor modulator.
Cell, 187, 2024
5JRS
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BU of 5jrs by Molmil
CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE
Descriptor: 4-[2-fluoro-3-(4-oxoquinazolin-3(4H)-yl)phenyl]-7-(2-hydroxypropan-2-yl)-9H-carbazole-1-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2016-05-06
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small Molecule Reversible Inhibitors of Bruton's Tyrosine Kinase (BTK): Structure-Activity Relationships Leading to the Identification of 7-(2-Hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxo-3,4-dihydroquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide (BMS-935177).
J.Med.Chem., 59, 2016
3I81
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BU of 3i81 by Molmil
Crystal structure of insulin-like growth factor 1 receptor (IGF-1R-WT) complex with BMS-754807 [1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoro-3-pyridinyl)-2-methyl-L-prolinamide]
Descriptor: 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide, Insulin-like growth factor 1 receptor
Authors:Sack, J.S.
Deposit date:2009-07-09
Release date:2009-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.
J.Med.Chem., 52, 2009
3JZF
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BU of 3jzf by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazoles series
Descriptor: 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide, Biotin carboxylase, CARBONATE ION
Authors:Orth, P.
Deposit date:2009-09-23
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
6MBI
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BU of 6mbi by Molmil
Crystal Structure of SNX15 PX domain in domain swapped conformation form 2
Descriptor: Sorting nexin-15
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.834 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6MVL
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BU of 6mvl by Molmil
Crystal structure of VISTA bound to a pH-selective antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab fragment heavy chain, Antibody Fab fragment light chain, ...
Authors:Critton, D.A.
Deposit date:2018-10-26
Release date:2019-10-23
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:VISTA is an acidic pH-selective ligand for PSGL-1.
Nature, 574, 2019
3HI1
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BU of 3hi1 by Molmil
Structure of HIV-1 gp120 (core with V3) in Complex with CD4-Binding-Site Antibody F105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, F105 Heavy Chain, F105 Light Chain, ...
Authors:Kwon, Y.D, Chen, L, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z, Zhang, M.-Y, Arthos, J, Burton, D.R, Dimitrov, D, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D.
Deposit date:2009-05-18
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120.
Science, 326, 2009
5BPY
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BU of 5bpy by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
Descriptor: 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2015-05-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
5BQ0
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BU of 5bq0 by Molmil
Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide, DIMETHYL SULFOXIDE, ...
Authors:Muckelbauer, J.K.
Deposit date:2015-05-28
Release date:2015-09-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Design and synthesis of carbazole carboxamides as promising inhibitors of Bruton's tyrosine kinase (BTK) and Janus kinase 2 (JAK2).
Bioorg.Med.Chem.Lett., 25, 2015
7XPL
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BU of 7xpl by Molmil
Crystal structure of a C/D-free RNA-guided RNA 2'-O-methyltransferase
Descriptor: BMG3 RNA strand A, BMG3 RNA strand B, C/D box methylation guide ribonucleoprotein complex aNOP56 subunit, ...
Authors:Wang, J, Ye, K.
Deposit date:2022-05-04
Release date:2022-10-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.213 Å)
Cite:Methylation guide RNAs without box C/D motifs.
Rna, 28, 2022
3LKH
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BU of 3lkh by Molmil
Inhibitors of Hepatitis C Virus Polymerase: Synthesis and Characterization of Novel 6-Fluoro-N-[2-Hydroxy-1(S)-Benzamides
Descriptor: 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide, RNA-directed RNA polymerase
Authors:Lesburg, C.A.
Deposit date:2010-01-27
Release date:2010-03-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
5DAG
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BU of 5dag by Molmil
Crystal structure of PZP domain of human AF10 protein
Descriptor: Protein AF-10, ZINC ION
Authors:Chen, S, Patel, D.J.
Deposit date:2015-08-19
Release date:2015-10-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The PZP Domain of AF10 Senses Unmodified H3K27 to Regulate DOT1L-Mediated Methylation of H3K79.
Mol.Cell, 60, 2015
6Z7X
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BU of 6z7x by Molmil
Insulin analytical antibody OXI-005 Fab
Descriptor: OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
Authors:Johansson, E.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
6Z7Y
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BU of 6z7y by Molmil
Human insulin in complex with the analytical antibody OXI-005 Fab
Descriptor: Insulin, OXI-005 Fab Heavy chain, OXI-005 Fab Light chain
Authors:Johansson, E.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insulin binding to the analytical antibody sandwich pair OXI-005 and HUI-018: Epitope mapping and binding properties.
Protein Sci., 30, 2021
8FYI
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BU of 8fyi by Molmil
Structure of HIV-1 BG505 SOSIP-HT1 in complex with one CD4 molecule
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(6-8)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Fan, C, Dam, K.A, Bjorkman, P.J.
Deposit date:2023-01-26
Release date:2023-10-18
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Intermediate conformations of CD4-bound HIV-1 Env heterotrimers.
Nature, 623, 2023

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