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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

8TNC

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

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

8TN6

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

8H12

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

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

8H14

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

8H0X

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

8H16

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

8H10

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

8H13

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

8H0Y

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

8H11

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

5Z8N

Crystal structure of Arabidopsis thaliana EBS C-terminal deletion construct in complex with an H3K4me2 peptide
Descriptor:	Chromatin remodeling protein EBS, H3K4me2 peptide, ZINC ION
Authors:	Yang, Z, Du, J.
Deposit date:	2018-01-31
Release date:	2018-07-25
Last modified:	2023-11-22
Method:	X-RAY DIFFRACTION (3.1 Å)
Cite:	EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis. Nat. Genet., 50, 2018

5Z8L

crystal structure of Arabidopsis thaliana EBS in complex with an H3K27me3 peptide
Descriptor:	Chromatin remodeling protein EBS, H3K27me3 peptide, ZINC ION
Authors:	Yang, Z, Du, J.
Deposit date:	2018-01-31
Release date:	2018-07-25
Last modified:	2018-09-19
Method:	X-RAY DIFFRACTION (2.005 Å)
Cite:	EBS is a bivalent histone reader that regulates floral phase transition in Arabidopsis. Nat. Genet., 50, 2018

8K4F

DHODH in complex with compound A0
Descriptor:	5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ...
Authors:	Jian, L, Sun, Q.
Deposit date:	2023-07-18
Release date:	2024-05-29
Method:	X-RAY DIFFRACTION (2.48 Å)
Cite:	Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023

4E3C

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

5ZNP

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

5ZNR

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

7UBU

Crystal structure of ZMET2 in complex with hemimethylated CAG DNA and a histone H3Kc9me2 peptide
Descriptor:	5MC SSDNA, C49 SSDNA, DNA (cytosine-5)-methyltransferase 1, ...
Authors:	Fang, J, Song, J.
Deposit date:	2022-03-15
Release date:	2022-06-08
Last modified:	2023-11-15
Method:	X-RAY DIFFRACTION (2.39 Å)
Cite:	Mechanistic basis for maintenance of CHG DNA methylation in plants. Nat Commun, 13, 2022

3GAD

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

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

4FSX

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

4FT4

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

4FT2

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

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Displayed results:	25
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