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4ZOL
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BU of 4zol by Molmil
Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex
Descriptor: (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-05-06
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4N19
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BU of 4n19 by Molmil
Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1A, SULFATE ION
Authors:Mustafi, S.M, Brecher, M.B, Zhang, J, Li, H.M, Lemaster, D.M, Hernandez, G.
Deposit date:2013-10-03
Release date:2014-02-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural basis of conformational transitions in the active site and 80's loop in the FK506-binding protein FKBP12.
Biochem.J., 458, 2014
4ZKT
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BU of 4zkt by Molmil
Crystal structure of the progenitor M complex of Clostridium botulinum type E neurotoxin
Descriptor: Bontoxilysin A, Botulinum neurotoxin type E, nontoxic-nonhemagglutinin component, ...
Authors:Eswaramoorthy, S, Swaminathan, S.
Deposit date:2015-04-30
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Molecular Assembly of Clostridium botulinum progenitor M complex of type E.
Sci Rep, 5, 2015
5XN3
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BU of 5xn3 by Molmil
Crystal structure of SPSB2 in complex with a rational designed RGD containing cyclic peptide inhibitor of SPSB2-iNOS interaction
Descriptor: SPRY domain-containing SOCS box protein 2, cR8 peptide from NOS2
Authors:You, T, Kuang, Z.
Deposit date:2017-05-17
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Crystal structure of SPSB2 in complex with a rational designed RGD-containing cyclic peptide inhibitor of SPSB2-iNOS interaction.
Biochem. Biophys. Res. Commun., 489, 2017
8DKS
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BU of 8dks by Molmil
IRAK4 IN COMPLEX WITH COMPOUND #3
Descriptor: (1S,2S,3R,4R)-3-({2-[3-(pyrrolidine-1-carbonyl)anilino]thieno[3,2-d]pyrimidin-4-yl}amino)bicyclo[2.2.1]hept-5-ene-2-carboxamide, BETA-MERCAPTOETHANOL, Interleukin-1 receptor-associated kinase 4
Authors:Chen, Y, Lin, N.
Deposit date:2022-07-06
Release date:2022-08-03
Last modified:2022-08-17
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Bicyclic pyrimidine compounds as potent IRAK4 inhibitors.
Bioorg.Med.Chem.Lett., 73, 2022
8CVN
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BU of 8cvn by Molmil
Cryo-EM Structure of Human 15-PGDH in Complex with Small Molecule SW209415
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-18
Release date:2023-03-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
8CWL
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BU of 8cwl by Molmil
Cryo-EM structure of Human 15-PGDH in complex with small molecule SW222746
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)], 2-methyl-6-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]isoquinolin-1(2H)-one
Authors:Huang, W, Taylor, D.J.
Deposit date:2022-05-19
Release date:2023-03-08
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
7FCA
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BU of 7fca by Molmil
PfkB(Mycobacterium marinum)
Descriptor: Fructokinase, PfkB, GLYCEROL, ...
Authors:Li, J, Gao, B, Ji, R.
Deposit date:2021-07-14
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural analysis and functional study of phosphofructokinase B (PfkB) from Mycobacterium marinum.
Biochem.Biophys.Res.Commun., 579, 2021
8DMH
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BU of 8dmh by Molmil
Lymphocytic choriomeningitis virus glycoprotein in complex with neutralizing antibody M28
Descriptor: 18.5C-M28 Fab Heavy Chain, 18.5C-M28 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
8DMI
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BU of 8dmi by Molmil
Lymphocytic choriomeningitis virus glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein G1, ...
Authors:Moon-Walker, A, Hastie, K.M, Zyla, D.S, Saphire, E.O.
Deposit date:2022-07-08
Release date:2023-04-12
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Structural basis for antibody-mediated neutralization of lymphocytic choriomeningitis virus.
Cell Chem Biol, 30, 2023
1JCK
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BU of 1jck by Molmil
T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SEC3 SUPERANTIGEN
Descriptor: 14.3.D T CELL ANTIGEN RECEPTOR, STAPHYLOCOCCAL ENTEROTOXIN C3
Authors:Fields, B.A, Mariuzza, R.A.
Deposit date:1996-10-22
Release date:1997-11-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of a T-cell receptor beta-chain complexed with a superantigen.
Nature, 384, 1996
4EXO
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BU of 4exo by Molmil
Revised, rerefined crystal structure of PDB entry 2QHK, methyl accepting chemotaxis protein
Descriptor: Methyl-accepting chemotaxis protein, PYRUVIC ACID
Authors:Sweeney, E.G, Henderson, J.N, Goers, J, Wreden, C, Hicks, K.G, Foster, J.K, Parthasarathy, R, Remington, S.J, Guillemin, K.
Deposit date:2012-04-30
Release date:2012-05-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and Proposed Mechanism for the pH-Sensing Helicobacter pylori Chemoreceptor TlpB.
Structure, 20, 2012
8FD8
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BU of 8fd8 by Molmil
human 15-PGDH with NADH bound
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 15-hydroxyprostaglandin dehydrogenase [NAD(+)]
Authors:Huang, W, Taylor, D.
Deposit date:2022-12-02
Release date:2023-03-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Small molecule inhibitors of 15-PGDH exploit a physiologic induced-fit closing system.
Nat Commun, 14, 2023
6J0Z
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BU of 6j0z by Molmil
Crystal structure of AlpK
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative angucycline-like polyketide oxygenase
Authors:Wang, W, Liu, Y, Liang, H.
Deposit date:2018-12-27
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:Crystal structure of AlpK: An essential monooxygenase involved in the biosynthesis of kinamycin
Biochem. Biophys. Res. Commun., 510, 2019
2MN6
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BU of 2mn6 by Molmil
Solution structure of dimeric TatA of twin-arginine translocation system from E. coli
Descriptor: Sec-independent protein translocase protein TatA
Authors:Zhang, Y, Hu, Y, Jin, C.
Deposit date:2014-03-31
Release date:2015-04-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural basis for TatA oligomerization: an NMR study of Escherichia coli TatA dimeric structure
Plos One, 9, 2014
2MN7
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BU of 2mn7 by Molmil
Solution structure of monomeric TatA of twin-arginine translocation system from E. coli
Descriptor: Sec-independent protein translocase protein TatA
Authors:Zhang, Y, Hu, Y, Jin, C.
Deposit date:2014-03-31
Release date:2015-04-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural basis for TatA oligomerization: an NMR study of Escherichia coli TatA dimeric structure
Plos One, 9, 2014
2M49
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BU of 2m49 by Molmil
Structural Insights into Human S100B and Basic Fibroblast Growth Factor (FGF2) Interaction
Descriptor: Fibroblast growth factor 2, Protein S100-B
Authors:Gupta, A.A, Yu, C.
Deposit date:2013-02-03
Release date:2013-12-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural insights into the interaction of human S100B and basic fibroblast growth factor (FGF2): Effects on FGFR1 receptor signaling
Biochim.Biophys.Acta, 1834, 2013
1XC3
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BU of 1xc3 by Molmil
Structure of a Putative Fructokinase from Bacillus subtilis
Descriptor: GLYCEROL, PLATINUM (II) ION, Putative fructokinase, ...
Authors:Cuff, M.E, Quartey, P, Lezondra, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-08-31
Release date:2004-10-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural studies of ROK fructokinase YdhR from Bacillus subtilis: insights into substrate binding and fructose specificity.
J.Mol.Biol., 406, 2011
2N8S
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BU of 2n8s by Molmil
Solution Structure of the rNedd4 WW1 Domain by NMR
Descriptor: E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
2N8T
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BU of 2n8t by Molmil
Solution Structure of the rNedd4 WW2 Domain-Cx43CT Peptide Complex by NMR
Descriptor: Cx43CT Peptide, E3 ubiquitin-protein ligase NEDD4
Authors:Spagnol, G, Kieken, F, Sorgen, P.L.
Deposit date:2015-10-27
Release date:2016-02-24
Last modified:2017-03-22
Method:SOLUTION NMR
Cite:Structural Studies of the Nedd4 WW Domains and Their Selectivity for the Connexin43 (Cx43) Carboxyl Terminus.
J. Biol. Chem., 291, 2016
5UJ7
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BU of 5uj7 by Molmil
Structure of the active form of human Origin Recognition Complex ATPase motor module, complex subunitS 1, 4, 5
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Origin recognition complex subunit 1, ...
Authors:Tocilj, A, Elkayam, E, On, K.F, Joshua-Tor, L.
Deposit date:2017-01-17
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.394 Å)
Cite:Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
5UJ8
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BU of 5uj8 by Molmil
Human Origin Recognition Complex subunits 2 and 3
Descriptor: Origin recognition complex subunit 2, Origin recognition complex subunit 3
Authors:Tocilj, A, On, K.F, Elkayam, E, Joshua-Tor, L.
Deposit date:2017-01-17
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (6 Å)
Cite:Structure of the active form of human Origin Recognition Complex and its ATPase motor module.
Elife, 6, 2017
6NNA
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BU of 6nna by Molmil
Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22
Descriptor: 1,2-ETHANEDIOL, Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Toms, A.V, Martin, M.W.
Deposit date:2019-01-14
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN).
Bioorg. Med. Chem. Lett., 29, 2019
7TYV
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BU of 7tyv by Molmil
Structure of Lassa Virus glycoprotein (Josiah) bound to Fab 25.10C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 25.10C Fab Heavy Chain, ...
Authors:Enriquez, A.S, Hastie, K.M.
Deposit date:2022-02-14
Release date:2022-06-01
Last modified:2022-06-15
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Delineating the mechanism of anti-Lassa virus GPC-A neutralizing antibodies.
Cell Rep, 39, 2022
7X88
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BU of 7x88 by Molmil
Crystal structure of ENL YEATS domain T2 mutant in complex with histone H3 acetylation at K27
Descriptor: CITRIC ACID, Histone H3K27ac(24-27) peptide, Protein ENL
Authors:Li, Y.Y, Li, H.T.
Deposit date:2022-03-11
Release date:2023-01-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Hotspot mutations in the structured ENL YEATS domain link aberrant transcriptional condensates and cancer.
Mol.Cell, 82, 2022

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