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8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
Descriptor: De novo designed protein, Rucaparib
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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BU of 8tnc by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNB
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BU of 8tnb by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
Descriptor: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
3B2Z
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BU of 3b2z by Molmil
Crystal Structure of ADAMTS4 (apo form)
Descriptor: ADAMTS-4, CALCIUM ION, ZINC ION
Authors:Mosyak, L, Stahl, M, Somers, W.
Deposit date:2007-10-19
Release date:2007-12-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Protein Sci., 17, 2008
5ZNR
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BU of 5znr by Molmil
Crystal structure of PtSHL in complex with an H3K27me3 peptide
Descriptor: 17-mer peptide from Histone H3.2, SHORT LIFE family protein, SULFATE ION, ...
Authors:Lv, X, Du, J.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.202 Å)
Cite:Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
5ZNP
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BU of 5znp by Molmil
Crystal structure of PtSHL in complex with an H3K4me3 peptide
Descriptor: 15-mer peptide from Histone H3.2, SHORT LIFE family protein, ZINC ION
Authors:Lv, X, Du, J.
Deposit date:2018-04-10
Release date:2018-07-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Dual recognition of H3K4me3 and H3K27me3 by a plant histone reader SHL.
Nat Commun, 9, 2018
8H13
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BU of 8h13 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H10
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BU of 8h10 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-2 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H14
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BU of 8h14 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x3 Disulfide (D414C and V969C), Locked-1 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LINOLEIC ACID, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-10-19
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H16
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BU of 8h16 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Open Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.35534 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H11
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BU of 8h11 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0Y
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BU of 8h0y by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-112 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H12
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BU of 8h12 by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x2 Disulfide (G400C and V969C), Locked-2 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.44681 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H15
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BU of 8h15 by Molmil
Structure of SARS-CoV-1 Spike Protein (S/native) at pH 5.5, Closed Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.14182 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
8H0X
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BU of 8h0x by Molmil
Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-1 Conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BILIVERDINE IX ALPHA, LINOLEIC ACID, ...
Authors:Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X.
Deposit date:2022-09-30
Release date:2022-11-09
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes.
Life Sci Alliance, 6, 2023
4E3C
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BU of 4e3c by Molmil
X-ray crystal structure of human IKK2 in an active conformation
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta
Authors:Polley, S, Huang, D.B, Hauenstein, A.V, Ghosh, G, Huxford, T.
Deposit date:2012-03-09
Release date:2013-06-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.98 Å)
Cite:X-ray crystal structure of human IKK2 in an active conformation
Plos.Biol., 2013
2IHM
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BU of 2ihm by Molmil
Polymerase mu in ternary complex with gapped 11mer DNA duplex and bound incoming nucleotide
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*AP*GP*TP*AP*T)-3', 5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*TP*G)-3', ...
Authors:Moon, A.F, Pedersen, L.C, Kunkel, T.A.
Deposit date:2006-09-26
Release date:2006-12-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insight into the substrate specificity of DNA Polymerase mu.
Nat.Struct.Mol.Biol., 14, 2007
2ID5
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BU of 2id5 by Molmil
Crystal Structure of the Lingo-1 Ectodomain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine rich repeat neuronal 6A, ...
Authors:Mosyak, L, Wood, A, Dwyer, B, Johnson, M, Stahl, M.L, Somers, W.S.
Deposit date:2006-09-14
Release date:2006-09-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:The structure of the Lingo-1 ectodomain, a module implicated in central nervous system repair inhibition.
J.Biol.Chem., 281, 2006
3GAD
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BU of 3gad by Molmil
Structure of apomif
Descriptor: ACETIC ACID, Macrophage migration inhibitory factor-like protein, SULFATE ION
Authors:Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
Deposit date:2009-02-17
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
3GAC
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BU of 3gac by Molmil
Structure of mif with HPP
Descriptor: 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, ACETIC ACID, Macrophage migration inhibitory factor-like protein, ...
Authors:Zhou, Y.-F, Su, X.-D, Shao, D, Wang, H.
Deposit date:2009-02-17
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and functional comparison of MIF ortholog from Plasmodium yoelii with MIF from its rodent host
Mol.Immunol., 47, 2010
4FT4
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BU of 4ft4 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-32)K9me2 peptide and SAH
Descriptor: DNA (cytosine-5)-methyltransferase 1, H3(1-32)K9me2 peptide, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Du, J, Patel, D.J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
4FSX
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BU of 4fsx by Molmil
crystal structure of Se-substituted Zea mays ZMET2 in complex with SAH
Descriptor: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Du, J, Patel, D.J.
Deposit date:2012-06-27
Release date:2012-10-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
4FT2
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BU of 4ft2 by Molmil
crystal structure of Zea mays ZMET2 in complex H3(1-15)K9me2 peptide and SAH
Descriptor: DNA (cytosine-5)-methyltransferase 1, H3 peptide, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Du, J, Patel, D.J.
Deposit date:2012-06-27
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Dual Binding of Chromomethylase Domains to H3K9me2-Containing Nucleosomes Directs DNA Methylation in Plants.
Cell(Cambridge,Mass.), 151, 2012
6KN1
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BU of 6kn1 by Molmil
P20/P12 of caspase-11 mutant C254A
Descriptor: Caspase-4
Authors:Ding, J, Sun, Q.
Deposit date:2019-08-02
Release date:2020-03-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020

222036

数据于2024-07-03公开中

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