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6KUG
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BU of 6kug by Molmil
Crystal structure of YBX1 CSD with RNA
Descriptor: Nuclease-sensitive element-binding protein 1, RNA (5'-R(P*GP*CP*CP*U)-3')
Authors:Zou, F, Li, S.
Deposit date:2019-09-02
Release date:2020-02-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DrosophilaYBX1 homolog YPS promotes ovarian germ line stem cell development by preferentially recognizing 5-methylcytosine RNAs.
Proc.Natl.Acad.Sci.USA, 117, 2020
6U7I
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BU of 6u7i by Molmil
Faecalibacterium prausnitzii Beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Ervin, S.M, Redinbo, M.R.
Deposit date:2019-09-03
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Gut microbial beta-glucuronidases reactivate estrogens as components of the estrobolome that reactivate estrogens.
J.Biol.Chem., 294, 2019
5YAX
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BU of 5yax by Molmil
Crystal structure of a human neutralizing antibody bound to a HBV preS1 peptide
Descriptor: Large envelope protein, SODIUM ION, scFv1 antibody
Authors:Liu, X, Zheng, S, Ye, K, Sui, J.
Deposit date:2017-09-02
Release date:2017-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A potent human neutralizing antibody Fc-dependently reduces established HBV infections
Elife, 6, 2017
6U6G
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BU of 6u6g by Molmil
Solution NMR structure of the nodule-specific cysteine-rich peptide NCR044 from Medicago truncatula
Descriptor: Putative Late nodulin
Authors:Velivelli, S.L.S, Buchko, G.W, Shah, D.M.
Deposit date:2019-08-29
Release date:2019-10-09
Last modified:2024-03-27
Method:SOLUTION NMR
Cite:Antifungal symbiotic peptide NCR044 exhibits unique structure and multifaceted mechanisms of action that confer plant protection.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VTU
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BU of 6vtu by Molmil
DH717.1 Fab monomer in complex with man9 glycan
Descriptor: DH717.1 heavy chain, DH717.1 light chain, GLYCEROL, ...
Authors:Fera, D, Bronkema, N.
Deposit date:2020-02-13
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
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
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
5I8N
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BU of 5i8n by Molmil
Solution Structure of human calcium-binding S100A9 (C3S) protein
Descriptor: Protein S100-A9
Authors:Chang, C.-C, Chin, Y.
Deposit date:2016-02-19
Release date:2016-08-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Blocking the interaction between S100A9 and RAGE V domain using CHAPS molecule: A novel route to drug development against cell proliferation
Biochim.Biophys.Acta, 1864, 2016
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
4Y7N
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BU of 4y7n by Molmil
The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
Descriptor: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2015-02-15
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
5WTD
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BU of 5wtd by Molmil
Structure of human serum transferrin bound ruthenium at N-lobe
Descriptor: FE (III) ION, MALONATE ION, RUTHENIUM ION, ...
Authors:Sun, H, Wang, M, Lai, T.P, Zhang, H, Hao, Q.
Deposit date:2016-12-11
Release date:2017-12-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Binding of ruthenium and osmium at non‐iron sites of transferrin accounts for their iron-independent cellular uptake.
J.Inorg.Biochem., 234, 2022
4Y52
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BU of 4y52 by Molmil
Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
Descriptor: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2015-02-11
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
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
4YDV
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BU of 4ydv by Molmil
STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS
Descriptor: HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606)
Authors:Nicely, N.I, Pemble IV, C.W.
Deposit date:2015-02-23
Release date:2015-08-12
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques.
Plos Pathog., 11, 2015
6P3P
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BU of 6p3p by Molmil
Crystal structure of Mcl-1 in complex with compound 65
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
Authors:Toms, A.V, Follows, B.
Deposit date:2019-05-24
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors.
Bioorg.Med.Chem.Lett., 29, 2019
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-27
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
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
4X0S
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BU of 4x0s by Molmil
Hexamer formed by a macrocycle containing a sequence from beta-2-microglobulin (63-69).
Descriptor: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-VAL-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, SODIUM ION, ...
Authors:Spencer, R.K, Salveson, P.J, Nowick, J.S.
Deposit date:2014-11-23
Release date:2015-05-06
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.032 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
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
4Z7P
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BU of 4z7p by Molmil
X-ray structure of racemic ShK Q16K toxin
Descriptor: Potassium channel toxin kappa-stichotoxin-She1a, SULFATE ION
Authors:Sickmier, E.A.
Deposit date:2015-04-07
Release date:2015-09-09
Last modified:2015-09-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Pharmaceutical Optimization of Peptide Toxins for Ion Channel Targets: Potent, Selective, and Long-Lived Antagonists of Kv1.3.
J.Med.Chem., 58, 2015
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
6K9V
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BU of 6k9v by Molmil
Crystal structure of tubulin in complex with inhibitor D64
Descriptor: (5-methoxy-1H-indol-2-yl)-phenyl-methanone, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2019-06-18
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Structural insights into the design of indole derivatives as tubulin polymerization inhibitors.
Febs Lett., 594, 2020

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