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5VO6
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BU of 5vo6 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR
Descriptor: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
Authors:Sack, J.S.
Deposit date:2017-05-02
Release date:2017-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
7E80
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BU of 7e80 by Molmil
Cryo-EM structure of the flagellar rod with hook and export apparatus from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E81
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BU of 7e81 by Molmil
Cryo-EM structure of the flagellar MS ring with FlgB-Dc loop and FliE-helix 1 from Salmonella
Descriptor: Flagellar M-ring protein, FlgB-Dc loop, FliE helix 1
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7E82
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BU of 7e82 by Molmil
Cryo-EM structure of the flagellar rod with partial hook from Salmonella
Descriptor: Flagellar MS ring L1, Flagellar MS ring L2, Flagellar basal body rod protein FlgB, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2021-02-28
Release date:2021-04-28
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
Descriptor: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2008-01-04
Release date:2008-04-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
3BV3
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BU of 3bv3 by Molmil
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
Descriptor: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
Authors:Sack, J.S.
Deposit date:2008-01-04
Release date:2008-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
8TB1
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BU of 8tb1 by Molmil
Solution NMR structure of a RiPP proteusin precursor protein
Descriptor: NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera
Authors:McShan, A.C, Vinayak, A, Nguyen, N.A.
Deposit date:2023-06-28
Release date:2024-02-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Disordered regions in proteusin peptides guide post-translational modification by a flavin-dependent RiPP brominase.
Nat Commun, 15, 2024
7EW6
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BU of 7ew6 by Molmil
Barley photosystem I-LHCI-Lhca5 supercomplex
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2021-05-24
Release date:2021-12-22
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7EU3
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BU of 7eu3 by Molmil
Chloroplast NDH complex
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2021-05-15
Release date:2021-12-29
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7EWK
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BU of 7ewk by Molmil
Barley photosystem I-LHCI-Lhca6 supercomplex
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2021-05-25
Release date:2022-01-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
8UF5
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BU of 8uf5 by Molmil
Catalytic domain of GtfB in complex with inhibitor G43
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Schormann, N, Deivanayagam, C, Velu, S.
Deposit date:2023-10-03
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Discovery of Small Molecule Inhibitors of Cariogenic Virulence.
Sci Rep, 7, 2017
6LJ9
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BU of 6lj9 by Molmil
Crystal Structure of Se-Met ASFV pS273R protease
Descriptor: Cysteine protease S273R
Authors:Li, G.B, Liu, X.X, Chen, C, Guo, Y.
Deposit date:2019-12-13
Release date:2020-02-26
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (2.307 Å)
Cite:Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
6LJB
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BU of 6ljb by Molmil
Crystal Structure of ASFV pS273R protease
Descriptor: Cysteine protease S273R
Authors:Li, G.B, Liu, X.X, Chen, C, Guo, Y.
Deposit date:2019-12-13
Release date:2020-02-26
Last modified:2020-05-13
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Crystal Structure of African Swine Fever Virus pS273R Protease and Implications for Inhibitor Design.
J.Virol., 94, 2020
8URV
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BU of 8urv by Molmil
Solution NMR structure of pro-IL-18
Descriptor: Interleukin-18
Authors:Bonin, J.P, Aramini, J.M, Kay, L.E.
Deposit date:2023-10-26
Release date:2024-05-29
Last modified:2024-07-24
Method:SOLUTION NMR
Cite:Structural transitions enable interleukin-18 maturation and signaling.
Immunity, 57, 2024
3TJM
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BU of 3tjm by Molmil
Crystal Structure of the Human Fatty Acid Synthase Thioesterase Domain with an Activate Site-Specific Polyunsaturated Fatty Acyl Adduct
Descriptor: Fatty acid synthase, methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate
Authors:Zhang, W, Zheng, F, Florante, A.Q.
Deposit date:2011-08-24
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of FAS thioesterase domain with polyunsaturated fatty acyl adduct and inhibition by dihomo-gamma-linolenic acid.
Proc.Natl.Acad.Sci.USA, 108, 2011
6JBT
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BU of 6jbt by Molmil
Complex structure of toripalimab-Fab and PD-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, ...
Authors:Guo, L, Tan, S, Chai, Y, Qi, J, Gao, G.F, Yan, J.
Deposit date:2019-01-26
Release date:2019-06-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Glycosylation-independent binding of monoclonal antibody toripalimab to FG loop of PD-1 for tumor immune checkpoint therapy.
Mabs, 11, 2019
3RGU
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BU of 3rgu by Molmil
Structure of Fap-NRa at pH 5.0
Descriptor: Fimbriae-associated protein Fap1, alpha-D-glucopyranose
Authors:Garnett, J.A, Matthews, S.J.
Deposit date:2011-04-09
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insight into the role of Streptococcus parasanguinis Fap1 within oral biofilm formation.
Biochem.Biophys.Res.Commun., 417, 2012
2NA7
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BU of 2na7 by Molmil
Transmembrane domain of human Fas/CD95 death receptor
Descriptor: Tumor necrosis factor receptor superfamily member 6
Authors:Fu, Q, Chou, J.J, Membrane Protein Structures by Solution NMR (MPSbyNMR)
Deposit date:2015-12-21
Release date:2016-01-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Basis and Functional Role of Intramembrane Trimerization of the Fas/CD95 Death Receptor.
Mol.Cell, 61, 2016
5XPC
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BU of 5xpc by Molmil
Crystal Structure of Drep4 CIDE domain
Descriptor: DNAation factor-related protein 4, GLYCEROL
Authors:Park, H.H, Jeong, J.H.
Deposit date:2017-06-01
Release date:2017-07-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:CIDE domains form functionally important higher-order assemblies for DNA fragmentation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2POI
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BU of 2poi by Molmil
Crystal structure of XIAP BIR1 domain (I222 form)
Descriptor: Baculoviral IAP repeat-containing protein 4, ZINC ION
Authors:Lin, S.
Deposit date:2007-04-26
Release date:2007-07-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2POM
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BU of 2pom by Molmil
TAB1 with manganese ion
Descriptor: MANGANESE (II) ION, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1
Authors:Lin, S.C.
Deposit date:2007-04-26
Release date:2007-07-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2POP
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BU of 2pop by Molmil
The Crystal Structure of TAB1 and BIR1 complex
Descriptor: Baculoviral IAP repeat-containing protein 4, Mitogen-activated protein kinase kinase kinase 7-interacting protein 1, ZINC ION
Authors:Lin, S.C.
Deposit date:2007-04-27
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:XIAP Induces NF-kappaB Activation via the BIR1/TAB1 Interaction and BIR1 Dimerization.
Mol.Cell, 26, 2007
2QRA
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BU of 2qra by Molmil
Crystal structure of XIAP BIR1 domain (P21 form)
Descriptor: Baculoviral IAP repeat-containing protein 4, ETHANOL, ZINC ION
Authors:Lin, S.-C.
Deposit date:2007-07-27
Release date:2007-09-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the BIR1 domain of XIAP in two crystal forms
J.Mol.Biol., 372, 2007
8FG8
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BU of 8fg8 by Molmil
Catalytic domain of GtfB in complex with inhibitor 2-[(2,4,5-Trihydroxyphenyl)methylidene]-1-benzofuran-3-one
Descriptor: (2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
Authors:Schormann, N, Deivanayagam, C, Velu, S.
Deposit date:2022-12-12
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hydrogel-Encapsulated Biofilm Inhibitors Abrogate the Cariogenic Activity of Streptococcus mutans .
J.Med.Chem., 66, 2023
8FLM
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BU of 8flm by Molmil
Cryo-EM structure of STING oligomer bound to cGAMP, NVS-STG2 and C53
Descriptor: 1-[(2-chloro-6-fluorophenyl)methyl]-3,3-dimethyl-2-oxo-N-[(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1H-indole-6-carboxamide, 4-({[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl}amino)-3-methoxybenzoic acid, Stimulator of interferon genes protein, ...
Authors:Li, J, Canham, S.M, Zhang, X, Bai, X, Feng, Y.
Deposit date:2022-12-21
Release date:2023-11-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Activation of human STING by a molecular glue-like compound.
Nat.Chem.Biol., 20, 2024

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