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6UYM
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BU of 6uym by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v6 redesigned core from genotype 1a bound to broadly neutralizing antibody AR3C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.848 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYF
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BU of 6uyf by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2mc3-v1 redesigned core from genotype 6a bound to broadly neutralizing antibody AR3B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6UYG
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BU of 6uyg by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Zhu, J.
Deposit date:2019-11-13
Release date:2020-04-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.375 Å)
Cite:Proof of concept for rational design of hepatitis C virus E2 core nanoparticle vaccines.
Sci Adv, 6, 2020
6VYP
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BU of 6vyp by Molmil
Crystal structure of the LSD1/CoREST histone demethylase bound to its nucleosome substrate
Descriptor: DNA (191-MER), FLAVIN-ADENINE DINUCLEOTIDE, Histone H2A type 1, ...
Authors:Kim, S, Zhu, J, Eek, P, Yennawar, N, Song, T.
Deposit date:2020-02-27
Release date:2020-05-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (4.99 Å)
Cite:Crystal Structure of the LSD1/CoREST Histone Demethylase Bound to Its Nucleosome Substrate.
Mol.Cell, 78, 2020
7YKF
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BU of 7ykf by Molmil
Crystal structure of MAGI2 PDZ0-GK/pEphexin4 complex
Descriptor: Ephexin4, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKH
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BU of 7ykh by Molmil
Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR2 peptide
Descriptor: GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKG
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BU of 7ykg by Molmil
Crystal structure of MAGI2 PDZ0-GK/pSGEF complex
Descriptor: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, SGEF
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
7YKI
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BU of 7yki by Molmil
Crystal structure of MAGI2 PDZ0-GK domain in complex with phospho-SAPAP1 GBR3 peptide
Descriptor: GLYCEROL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, ...
Authors:Zhang, M, Lin, L, Zhu, J.
Deposit date:2022-07-22
Release date:2023-08-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosphorylation-dependent recognition of diverse protein targets by the cryptic GK domain of MAGI MAGUKs.
Sci Adv, 9, 2023
4Z7Q
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BU of 4z7q by Molmil
Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2015-04-07
Release date:2015-12-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
4Z7O
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BU of 4z7o by Molmil
Integrin alphaIIbbeta3 in complex with AGDV peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.Y, Zhu, J, Springer, T.A.
Deposit date:2015-04-07
Release date:2016-01-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
4Z7N
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BU of 4z7n by Molmil
Integrin alphaIIbbeta3 in complex with AGDV peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2015-04-07
Release date:2015-12-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
5C14
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BU of 5c14 by Molmil
Crystal structure of PECAM-1 D1D2 domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Zhou, D, Paddock, C, Newman, P, Zhu, J.
Deposit date:2015-06-12
Release date:2016-01-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for PECAM-1 homophilic binding.
Blood, 127, 2016
7XHQ
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BU of 7xhq by Molmil
Small-molecule Allosteric Regulation Mechanism of SHP2
Descriptor: 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11
Authors:Luo, Y, Zhu, J, Yu, K, Liu, B.
Deposit date:2022-04-09
Release date:2023-02-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
5J97
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BU of 5j97 by Molmil
Dimerization domain of cytoplasmic activation/proliferation-associated protein-2 (caprin-2)
Descriptor: Caprin-2
Authors:Wu, Y, Zhu, J, Huang, X, Du, Z.
Deposit date:2016-04-08
Release date:2017-08-09
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Dimerization domain of cytoplasmic activation/proliferation-associated protein-2 (caprin-2)
To Be Published
7U9F
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BU of 7u9f by Molmil
Integrin alaphIIBbeta3 complex with BMS compound 4 in Mn2+
Descriptor: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-10
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.70000529 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
1P4A
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BU of 1p4a by Molmil
Crystal Structure of the PurR complexed with cPRPP
Descriptor: 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, Pur operon repressor
Authors:Bera, A.K, Zhu, J, Zalkin, H, Smith, J.L.
Deposit date:2003-04-22
Release date:2003-12-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Functional dissection of the Bacillus subtilis pur operator site.
J.Bacteriol., 185, 2003
7UKP
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BU of 7ukp by Molmil
Integrin alaphIIBbeta3 complex with a gantofiban analog
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.80112982 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UBR
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BU of 7ubr by Molmil
Integrin alaphIIBbeta3 complex with GR144053
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-15
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04992747 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UJE
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BU of 7uje by Molmil
Integrin alaphIIBbeta3 complex with UR2922 in Mn2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-30
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.499968 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UKT
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BU of 7ukt by Molmil
Integrin alaphIIBbeta3 complex with BMS4.2
Descriptor: (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.36994433 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UE0
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BU of 7ue0 by Molmil
Integrin alaphIIBbeta3 complex with fradafiban
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-20
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.741962 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UKO
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BU of 7uko by Molmil
Integrin alaphIIBbeta3 complex with sibrafiban (Mn)
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UDH
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BU of 7udh by Molmil
Integrin alaphIIBbeta3 complex with BMS4-3
Descriptor: (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-19
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99998844 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UFH
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BU of 7ufh by Molmil
Integrin alaphIIBbeta3 complex with fradafiban (Mn/Ca)
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-22
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.99768162 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UCY
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BU of 7ucy by Molmil
Integrin alaphIIBbeta3 complex with gantofiban
Descriptor: (4-{[(5R)-3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}piperazin-1-yl)acetic acid, 10E5 Fab heavy chain, 10E5 Fab light chain, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-17
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.34996319 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022

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