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2MP0
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BU of 2mp0 by Molmil
Protein Phosphorylation upon a Fleeting Encounter
Descriptor: Glucose-specific phosphotransferase enzyme IIA component, PHOSPHITE ION, Phosphoenolpyruvate-protein phosphotransferase
Authors:Xing, Q, Yang, J, Huang, P, Zhang, W, Tang, C.
Deposit date:2014-05-08
Release date:2014-08-20
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Visualizing an ultra-weak protein-protein interaction in phosphorylation signaling.
Angew.Chem.Int.Ed.Engl., 53, 2014
5HCK
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BU of 5hck by Molmil
HUMAN HCK SH3 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: HEMATOPOIETIC CELL KINASE
Authors:Horita, D.A, Baldisseri, D.M, Zhang, W, Altieri, A.S, Smithgall, T.E, Gmeiner, W.H, Byrd, R.A.
Deposit date:1998-03-09
Release date:1998-06-17
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure of the human Hck SH3 domain and identification of its ligand binding site.
J.Mol.Biol., 278, 1998
8OR1
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BU of 8or1 by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1
Authors:Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
2HD1
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BU of 2hd1 by Molmil
Crystal structure of PDE9 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ...
Authors:Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H.
Deposit date:2006-06-19
Release date:2006-06-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
4NS5
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BU of 4ns5 by Molmil
Crystal structure of human BS69 Bromo-Zinc finger-PWWP
Descriptor: ZINC ION, Zinc finger MYND domain-containing protein 11
Authors:Wang, J.C, Qin, S, Li, F.D, Li, S, Zhang, W, Wu, J.H, Shi, Y.Y.
Deposit date:2013-11-28
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human BS69 Bromo-ZnF-PWWP reveals its role in H3K36me3 nucleosome binding.
Cell Res., 24, 2014
5JG6
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BU of 5jg6 by Molmil
APC11-Ubv shows role of noncovalent RING-Ubiquitin interactions in processive multiubiquitination and Ubiquitin chain elongation by APC/C
Descriptor: Anaphase-promoting complex subunit 11, Polyubiquitin-B, ZINC ION
Authors:Brown, N.G, Zhang, W, Yu, S, Miller, D.J, Sidhu, S.S, Schulman, B.A.
Deposit date:2016-04-19
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.0013 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
7DW5
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BU of 7dw5 by Molmil
Crystal structure of DUX4 HD1-HD2 domain complexed with ERG sites
Descriptor: BROMIDE ION, DNA (5'-D(P*CP*GP*AP*CP*TP*TP*GP*AP*TP*GP*AP*GP*AP*TP*TP*AP*GP*AP*CP*TP*G)-3'), Double homeobox protein 4-like protein 2
Authors:Zhang, H, Cheng, N, Li, Z, Zhang, W, Dong, X, Huang, J, Meng, G.
Deposit date:2021-01-15
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:DNA crosslinking and recombination-activating genes 1/2 (RAG1/2) are required for oncogenic splicing in acute lymphoblastic leukemia.
Cancer Commun (Lond), 41, 2021
2JZ0
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BU of 2jz0 by Molmil
DSX_short
Descriptor: Protein doublesex
Authors:Yang, Y, Zhang, W, Bayrer, J.R, Weiss, M.A.
Deposit date:2007-12-21
Release date:2008-01-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Doublesex and the Regulation of Sexual Dimorphism in Drosophila melanogaster: STRUCTURE, FUNCTION, AND MUTAGENESIS OF A FEMALE-SPECIFIC DOMAIN.
J.Biol.Chem., 283, 2008
2JZ1
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BU of 2jz1 by Molmil
DSX_long
Descriptor: Protein doublesex
Authors:Yang, Y, Zhang, W, Bayrer, J.R, Weiss, M.A.
Deposit date:2007-12-21
Release date:2008-01-08
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Doublesex and the Regulation of Sexual Dimorphism in Drosophila melanogaster: STRUCTURE, FUNCTION, AND MUTAGENESIS OF A FEMALE-SPECIFIC DOMAIN.
J.Biol.Chem., 283, 2008
4KDO
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BU of 4kdo by Molmil
Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus in complex with human receptor analog LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Lu, X, Shi, Y, Zhang, W, Zhang, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-25
Release date:2013-07-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:Structure and receptor-binding properties of an airborne transmissible avian influenza A virus hemagglutinin H5 (VN1203mut).
Protein Cell, 4, 2013
4KDM
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BU of 4kdm by Molmil
Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin
Authors:Lu, X, Shi, Y, Zhang, W, Zhang, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-25
Release date:2013-07-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.496 Å)
Cite:Structure and receptor-binding properties of an airborne transmissible avian influenza A virus hemagglutinin H5 (VN1203mut).
Protein Cell, 4, 2013
4KDN
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BU of 4kdn by Molmil
Crystal structure of the hemagglutinin of ferret-transmissible H5N1 virus in complex with avian receptor analog LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Lu, X, Shi, Y, Zhang, W, Zhang, Y, Qi, J, Gao, G.F.
Deposit date:2013-04-25
Release date:2013-07-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.483 Å)
Cite:Structure and receptor-binding properties of an airborne transmissible avian influenza A virus hemagglutinin H5 (VN1203mut).
Protein Cell, 4, 2013
2L84
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BU of 2l84 by Molmil
Solution NMR structures of CBP bromodomain with small molecule j28
Descriptor: 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid, CREB-binding protein
Authors:Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
Deposit date:2011-01-03
Release date:2011-01-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
2L85
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BU of 2l85 by Molmil
Solution NMR structures of CBP bromodomain with small molecule of HBS
Descriptor: 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid, CREB-binding protein
Authors:Borah, J.C, Mujtaba, S, Karakikes, I, Zeng, L, Muller, M, Patel, J, Moshkina, N, Morohashi, K, Zhang, W, Gerona-Navarro, G, Hajjar, R.J, Zhou, M.
Deposit date:2011-01-04
Release date:2011-01-19
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:A Small Molecule Binding to the Coactivator CREB-Binding Protein Blocks Apoptosis in Cardiomyocytes.
Chem.Biol., 18, 2011
8F24
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BU of 8f24 by Molmil
Mirror-image RNA octamer containing 2'-OMe-L-uridine
Descriptor: Mirror-image RNA 0G-XEC-0G-0U-0A-0C-0A-0C, SULFATE ION
Authors:Dantsu, Y, Zhang, W.
Deposit date:2022-11-07
Release date:2023-04-12
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Derivatization of Mirror-Image l-Nucleic Acids with 2'-OMe Modification for Thermal and Structural Stabilization.
Chembiochem, 24, 2023
8FZC
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BU of 8fzc by Molmil
HIV-2 Gag Capsid from Immature Virus-like Particles
Descriptor: Spacer peptide 2
Authors:Talledge, N, Zhang, W, Mansky, L.M.
Deposit date:2023-01-28
Release date:2023-06-07
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (5.5 Å)
Cite:HIV-2 Immature Particle Morphology Provides Insights into Gag Lattice Stability and Virus Maturation.
J.Mol.Biol., 435, 2023
2PK9
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BU of 2pk9 by Molmil
Structure of the Pho85-Pho80 CDK-cyclin Complex of the Phosphate-responsive Signal Transduction Pathway
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cyclin-dependent protein kinase PHO85, PHO85 cyclin PHO80
Authors:Huang, K, Ferrin-O'Connell, I, Zhang, W, Leonard, G.A, O'Shea, E.K, Quiocho, F.A.
Deposit date:2007-04-17
Release date:2007-12-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structure of the Pho85-Pho80 CDK-Cyclin Complex of the Phosphate-Responsive Signal Transduction Pathway
Mol.Cell, 28, 2007
2PMI
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BU of 2pmi by Molmil
Structure of the Pho85-Pho80 CDK-cyclin Complex of the Phosphate-responsive Signal Transduction Pathway with Bound ATP-gamma-S
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cyclin-dependent protein kinase PHO85, PHO85 cyclin PHO80, ...
Authors:Huang, K, Ferrin-O'Connell, I, Zhang, W, Leonard, G.A, O'Shea, E.K, Quiocho, F.A.
Deposit date:2007-04-23
Release date:2007-12-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Pho85-Pho80 CDK-Cyclin Complex of the Phosphate-Responsive Signal Transduction Pathway
Mol.Cell, 28, 2007
5Z9Y
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BU of 5z9y by Molmil
Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP
Descriptor: 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Thiazole synthase
Authors:Zhang, J, Zhang, B, Zhao, Y, Yang, X, Huang, M, Cui, P, Zhang, W, Li, J, Zhang, Y.
Deposit date:2018-02-05
Release date:2018-04-11
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Snapshots of catalysis: Structure of covalently bound substrate trapped in Mycobacterium tuberculosis thiazole synthase (ThiG).
Biochem. Biophys. Res. Commun., 497, 2018
3LTU
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BU of 3ltu by Molmil
5-SeMe-dU containing DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(T5S)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z.
Deposit date:2010-02-16
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
3LTR
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BU of 3ltr by Molmil
5-OMe-dU containing DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(T5O)P*AP*CP*AP*C)-3', MAGNESIUM ION
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z.
Deposit date:2010-02-16
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrogen bond formation between the naturally modified nucleobase and phosphate backbone.
Nucleic Acids Res., 40, 2012
8IQU
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BU of 8iqu by Molmil
Structure of MtbFadD23 with PhU-AMS
Descriptor: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine, Fatty-acid-CoA ligase FadD23
Authors:Yan, M.R, Zhang, W.
Deposit date:2023-03-17
Release date:2023-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural basis for the development of potential inhibitors targeting FadD23 from Mycobacterium tuberculosis.
Acta Crystallogr.,Sect.F, 79, 2023
5Z2S
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BU of 5z2s by Molmil
Crystal structure of DUX4-HD2 domain
Descriptor: Double homeobox protein 4
Authors:Dong, X, Zhang, W, Wu, H, Huang, J, Zhang, M, Wang, P, Zhang, H, Chen, Z, Chen, S, Meng, G.
Deposit date:2018-01-03
Release date:2018-04-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of DUX4/IGH-driven transactivation.
Leukemia, 32, 2018
3HG8
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BU of 3hg8 by Molmil
Crystal Structure of 5-SMe Derivatized DNA
Descriptor: 5'-D(*GP*(UMS)P*GP*(US2)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Huang, Z.
Deposit date:2009-05-13
Release date:2009-07-21
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
3HGD
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BU of 3hgd by Molmil
Crystal Structure of 2-Se-Thymidine Derivatized DNA
Descriptor: 5'-D(*GP*(UMS)P*GP*(US3)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E, Zhang, W, Huang, Z.
Deposit date:2009-05-13
Release date:2009-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:High fidelity of base pairing by 2-selenothymidine in DNA.
J.Am.Chem.Soc., 132, 2010

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