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4YTH
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BU of 4yth by Molmil
Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases
Descriptor: N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)-D-alaninamide, Tyrosine-protein kinase JAK2
Authors:Ledeboer, M.W, Zuccola, H.J.
Deposit date:2015-03-17
Release date:2015-08-12
Last modified:2016-07-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
6NIH
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BU of 6nih by Molmil
Crystal structure of human TLR1
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Su, L, Zhang, H.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
6TFH
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BU of 6tfh by Molmil
Crystal structure of the ADP-binding domain of the NAD+ riboswitch with Nicotinamide adenine dinucleotide, reduced (NADH); soaking with Manganese(II) (Mn2+)
Descriptor: Chains: A, MANGANESE (II) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Huang, L, Lilley, D.M.J.
Deposit date:2019-11-14
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure and ligand binding of the ADP-binding domain of the NAD+ riboswitch.
Rna, 26, 2020
7WK0
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BU of 7wk0 by Molmil
Local refine of Omicron spike bitrimer with 6m6 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
7WJY
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BU of 7wjy by Molmil
Omicron spike trimer with 6m6 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
7WJZ
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BU of 7wjz by Molmil
Omicron Spike bitrimer with 6m6 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6m6 heavy chain, 6m6 light chain, ...
Authors:Zhan, W.Q, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2022-01-08
Release date:2022-07-13
Last modified:2022-09-14
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:A broadly neutralizing antibody against SARS-CoV-2 Omicron variant infection exhibiting a novel trimer dimer conformation in spike protein binding.
Cell Res., 32, 2022
5GPQ
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BU of 5gpq by Molmil
Crystal Structure of zebrafish ASC CARD Domain
Descriptor: CITRIC ACID, Maltose-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Jin, T, Li, Y.
Deposit date:2016-08-04
Release date:2017-08-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Functional and structural characterization of zebrafish ASC.
FEBS J., 285, 2018
7WRJ
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BU of 7wrj by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-4637 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-4637H, BD55-4637L, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2022-01-26
Release date:2022-09-28
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.08 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7WRY
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BU of 7wry by Molmil
Local structure of BD55-3546 Fab and SARS-COV2 Delta RBD complex
Descriptor: BD55-3546H, BD55-3546L, Spike protein S1, ...
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-27
Release date:2022-09-28
Last modified:2023-04-12
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Rational identification of potent and broad sarbecovirus-neutralizing antibody cocktails from SARS convalescents.
Cell Rep, 41, 2022
7XAC
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BU of 7xac by Molmil
Dimeric structure of human galectin-7 in complex with two glycerol
Descriptor: GLYCEROL, Galectin-7
Authors:Si, Y.L.
Deposit date:2022-03-17
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Binding of Glycerol to Human Galectin-7 Expands Stability and Modulates Its Functions.
Int J Mol Sci, 23, 2022
7XBL
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BU of 7xbl by Molmil
Dimeric structure of human galectin-7 in complex with three glycerol
Descriptor: GLYCEROL, Galectin-7
Authors:Si, Y.L.
Deposit date:2022-03-21
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Binding of Glycerol to Human Galectin-7 Expands Stability and Modulates Its Functions.
Int J Mol Sci, 23, 2022
7WD1
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BU of 7wd1 by Molmil
Crystal structure of R14 bound to SARS-CoV-2 RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, R14, Spike protein S1, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WD2
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BU of 7wd2 by Molmil
Crystal structure of S43 bound to SARS-CoV-2 RBD
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, Q.H, Gao, G.F, Qi, J.X, Su, C, Liu, H.H, Wu, L.L.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Two pan-SARS-CoV-2 nanobodies and their multivalent derivatives effectively prevent Omicron infections in mice.
Cell Rep Med, 4, 2023
7WIX
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BU of 7wix by Molmil
Cryo-EM structure of Mycobacterium tuberculosis irtAB in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Mycobactin import ATP-binding/permease protein IrtA, ...
Authors:Zhang, B, Sun, S, Yang, H, Rao, Z.
Deposit date:2022-01-05
Release date:2023-01-25
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Cryo-EM structures for the Mycobacterium tuberculosis iron-loaded siderophore transporter IrtAB.
Protein Cell, 14, 2023
5D39
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BU of 5d39 by Molmil
Transcription factor-DNA complex
Descriptor: DNA (5'-D(P*AP*TP*GP*GP*AP*TP*TP*TP*CP*CP*TP*GP*GP*AP*AP*GP*AP*CP*AP*GP*A)-3'), DNA (5'-D(P*TP*CP*TP*GP*TP*CP*TP*TP*CP*CP*AP*GP*GP*AP*AP*AP*TP*CP*CP*AP*T)-3'), Signal transducer and activator of transcription 6
Authors:Li, J, Niu, F, Ouyang, S, Liu, Z.
Deposit date:2015-08-06
Release date:2016-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for DNA recognition by STAT6
Proc.Natl.Acad.Sci.USA, 113, 2016
7WWV
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BU of 7wwv by Molmil
DNA bound-ICP1 Csy complex
Descriptor: Csy1, Csy2, Csy3, ...
Authors:Zhang, M, Peng, R.
Deposit date:2022-02-14
Release date:2023-04-26
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage.
Proc.Natl.Acad.Sci.USA, 120, 2023
7WWU
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BU of 7wwu by Molmil
ICP1 Csy complex
Descriptor: Csy1, Csy2, Csy3, ...
Authors:Zhang, M, Peng, R.
Deposit date:2022-02-14
Release date:2023-04-26
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage.
Proc.Natl.Acad.Sci.USA, 120, 2023
7X8X
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BU of 7x8x by Molmil
structural insights into Mycobacterium tuberculosis ClpP1P2 inhibition by Cediranib: implications for developing antimicrobial agents targeting Clp protease
Descriptor: 4-[1-[3-[4-[(4-fluoranyl-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-quinazolin-7-yl]oxypropyl]piperidin-4-yl]benzamide, 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit 1, ...
Authors:Bao, R, Luo, Y.F, Zhu, Y.B, Yang, Y, Zhou, Y.Z.
Deposit date:2022-03-15
Release date:2023-04-12
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Discovery and Mechanistic Study of Novel Mycobacterium tuberculosis ClpP1P2 Inhibitors
J.Med.Chem., 66, 2023
3TUO
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BU of 3tuo by Molmil
Crystal structure of N-terminal domain of DNA-binding protein satb1
Descriptor: DNA-binding protein SATB1
Authors:Wang, Z, Yang, X, Long, J, Shen, Y.
Deposit date:2011-09-17
Release date:2012-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:The structural basis for the oligomerization of the N-terminal domain of SATB1
Nucleic Acids Res., 40, 2012
6KVH
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BU of 6kvh by Molmil
The mutant crystal structure of endo-polygalacturonase (T284A) from Talaromyces leycettanus JCM 12802
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, endo-polygalacturonase
Authors:Tu, T, Wang, Z, Luo, H, Yao, B.
Deposit date:2019-09-04
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Insights into the Mechanisms Underlying the Kinetic Stability of GH28 Endo-Polygalacturonase.
J.Agric.Food Chem., 69, 2021
5XFR
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BU of 5xfr by Molmil
Ternary complex of MTF2, DNA and histone
Descriptor: DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), Metal-response element-binding transcription factor 2, Peptide from Histone H3.1, ...
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
5XFP
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BU of 5xfp by Molmil
Binary complex of PHF1 and a double stranded DNA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*GP*GP*GP*CP*GP*GP*CP*CP*GP*CP*CP*CP*T)-3'), PHD finger protein 1, ...
Authors:Wang, Z, Li, H.
Deposit date:2017-04-11
Release date:2017-09-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Polycomb-like proteins link the PRC2 complex to CpG islands
Nature, 549, 2017
4P6W
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BU of 4p6w by Molmil
Crystal Structure of mometasone furoate-bound glucocorticoid receptor ligand binding domain
Descriptor: Glucocorticoid receptor, MOMETASONE FUROATE, Nuclear receptor coactivator 2
Authors:He, Y, Zhou, X.E, Tolbert, W.D, Powell, K, Melcher, K, Xu, H.E.
Deposit date:2014-03-25
Release date:2014-04-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structures and mechanism for the design of highly potent glucocorticoids.
Cell Res., 24, 2014
7VWA
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BU of 7vwa by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 with Z-9-hexadecenal
Descriptor: (Z)-hexadec-9-enal, PBP1
Authors:Zheng, J, Chen, Z.
Deposit date:2021-11-10
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022
7VW8
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BU of 7vw8 by Molmil
Helicoverpa armigera pheromone-binding protein PBP1 at pH 7.5
Descriptor: PBP1
Authors:Zheng, J, Chen, Z.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Insights into the Ligand-Binding and -Releasing Mechanism of Helicoverpa armigera Pheromone-Binding Protein PBP1.
Int J Mol Sci, 23, 2022

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