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5WWN
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BU of 5wwn by Molmil
Crystal structure of Tsr1
Descriptor: Ribosome biogenesis protein TSR1, SULFATE ION
Authors:Ye, K, Wang, B.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5WXM
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BU of 5wxm by Molmil
Crystal structure of the Imp3 and Mpp10 complex
Descriptor: SULFATE ION, U3 small nucleolar RNA-associated protein MPP10, U3 small nucleolar ribonucleoprotein protein IMP3
Authors:Ye, K, Zheng, S.
Deposit date:2017-01-07
Release date:2017-06-28
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
5IH9
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BU of 5ih9 by Molmil
MELK in complex with NVS-MELK8A
Descriptor: 1-methyl-4-[4-(4-{3-[(piperidin-4-yl)methoxy]pyridin-4-yl}-1H-pyrazol-1-yl)phenyl]piperazine, Maternal embryonic leucine zipper kinase
Authors:Sprague, E.R, Puleo, D.E.
Deposit date:2016-02-29
Release date:2016-06-01
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight.
J.Med.Chem., 59, 2016
5WWO
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BU of 5wwo by Molmil
Crystal structure of Enp1
Descriptor: Essential nuclear protein 1, Protein LTV1
Authors:Ye, K, Zhang, W.
Deposit date:2017-01-03
Release date:2017-06-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular architecture of the 90S small subunit pre-ribosome
Elife, 6, 2017
6IR2
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BU of 6ir2 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution
Descriptor: MCherry fluorescent protein, mCherry's nanobody LaM2
Authors:Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
2Z4D
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BU of 2z4d by Molmil
NMR Structures of Yeast Proteasome Component Rpn13
Descriptor: 26S proteasome regulatory subunit RPN13
Authors:Zhang, N, Walters, K.J.
Deposit date:2007-06-15
Release date:2008-05-20
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Proteasome subunit Rpn13 is a novel ubiquitin receptor.
Nature, 453, 2008
4OAS
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BU of 4oas by Molmil
co-crystal structure of MDM2 (17-111) in complex with compound 25
Descriptor: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, [(3R,5R,6S)-1-[(2S)-1-(tert-butylsulfonyl)butan-2-yl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]acetic acid
Authors:Huang, X.
Deposit date:2014-01-06
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of AMG 232, a Potent, Selective, and Orally Bioavailable MDM2-p53 Inhibitor in Clinical Development.
J.Med.Chem., 57, 2014
8DEA
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BU of 8dea by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide, Complement factor D, GLYCEROL
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-20
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.214 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8DG6
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BU of 8dg6 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: 1-{2-[(2S)-2-{[(3-chloro-2-fluorophenyl)methyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}-1H-indazole-3-carboxamide, Complement factor D
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-23
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
Descriptor: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Authors:Raman, K, Babu, Y.S.
Deposit date:2022-06-09
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.166 Å)
Cite:Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8W9B
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BU of 8w9b by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-8557 binding at an allosteric site
Descriptor: 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
8W9A
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BU of 8w9a by Molmil
CryoEM structure of human PI3K-alpha (P85/P110-H1047R) with QR-7909 binding at an allosteric site
Descriptor: 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Huang, X, Ren, X, Zhong, W.
Deposit date:2023-09-05
Release date:2024-04-17
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal two allosteric inhibition modes of PI3K alpha H1047R involving a re-shaping of the activation loop.
Structure, 32, 2024
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
6IR1
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BU of 6ir1 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM4 at 1.9 Angstron resolution
Descriptor: MCherry fluorescent protein, mCherry's nanobody LaM4
Authors:Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.919 Å)
Cite:Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
4YVQ
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BU of 4yvq by Molmil
Crystal Structure of FLU-TPR in Complex with the C-terminal Region of GluTR
Descriptor: Glutamyl-tRNA reductase 1, chloroplastic, Protein FLUORESCENT IN BLUE LIGHT
Authors:Zhang, M, Zhang, F, Liu, L.
Deposit date:2015-03-20
Release date:2015-06-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:The Non-canonical Tetratricopeptide Repeat (TPR) Domain of Fluorescent (FLU) Mediates Complex Formation with Glutamyl-tRNA Reductase.
J.Biol.Chem., 290, 2015
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
3CWG
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BU of 3cwg by Molmil
Unphosphorylated mouse STAT3 core fragment
Descriptor: Signal transducer and activator of transcription 3
Authors:Ren, Z, Mao, X, Mertens, C, Krishnaraj, R, Qin, J, Mandal, P.K, Romanowshi, M.J, McMurray, J.S.
Deposit date:2008-04-21
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of unphosphorylated STAT3 core fragment.
Biochem.Biophys.Res.Commun., 374, 2008
5YKO
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BU of 5yko by Molmil
Crystal structure of Arabidopsis thaliana JMJ14 catalytic domain in complex with NOG and H3K4me3 peptide
Descriptor: H3(1-10)K4me3 peptide, N-OXALYLGLYCINE, NICKEL (II) ION, ...
Authors:Yang, Z, Du, J.
Deposit date:2017-10-15
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
1KBR
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BU of 1kbr by Molmil
CRYSTAL STRUCTURE OF UNLIGATED HPPK(R92A) FROM E.COLI AT 1.55 ANGSTROM RESOLUTION
Descriptor: 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE, CHLORIDE ION
Authors:Blaszczyk, J, Ji, X.
Deposit date:2001-11-06
Release date:2003-04-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dynamic Roles of Arginine Residues 82 and 92 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase: Crystallographic Studies
Biochemistry, 42, 2003
1TMJ
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BU of 1tmj by Molmil
Crystal structure of E.coli apo-HPPK(W89A) at 1.45 Angstrom resolution
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION, MAGNESIUM ION
Authors:Blaszczyk, J, Ji, X.
Deposit date:2004-06-10
Release date:2005-06-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Is the Critical Role of Loop 3 of Escherichia coli 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase in Catalysis Due to Loop-3 Residues Arginine-84 and Tryptophan-89? Site-Directed Mutagenesis, Biochemical, and Crystallographic Studies.
Biochemistry, 44, 2005
6MQE
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BU of 6mqe by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV fusion peptide (residue 512-519)
Descriptor: DFPHa.15 antibody Fab heavy chain, DFPHa.15 antibody Fab light chain, HIV fusion peptide
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.459 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
6MQS
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BU of 6mqs by Molmil
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody A12V163-a.01 in complex with HIV fusion peptide (residue 512-519)
Descriptor: HIV fusion peptide residue 512-519, antibody A12V163-a.01 heavy chain, antibody A12V163-a.01 light chain
Authors:Xu, K, Wang, Y, Kwong, P.D.
Deposit date:2018-10-10
Release date:2019-07-31
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.997 Å)
Cite:Antibody Lineages with Vaccine-Induced Antigen-Binding Hotspots Develop Broad HIV Neutralization.
Cell, 178, 2019
8GOU
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BU of 8gou by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH003 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH003 Fab heavy chain, ...
Authors:Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
Deposit date:2022-08-25
Release date:2023-06-28
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
8GPY
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BU of 8gpy by Molmil
Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv
Descriptor: Spike protein S1, scFv
Authors:Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y.
Deposit date:2022-08-27
Release date:2023-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023

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