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6DIG
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BU of 6dig by Molmil
Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide
Descriptor: 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W.
Deposit date:2018-05-23
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
7X9E
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BU of 7x9e by Molmil
Crystal structure of the 76E1 Fab in complex with a SARS-CoV-2 spike peptide
Descriptor: 76E1 Fab Heavy Chain, 76E1 Fab Light Chain, Spike peptide
Authors:Chen, X, Zhang, T, Ding, J, Sun, X, Sun, B.
Deposit date:2022-03-15
Release date:2022-05-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Neutralization mechanism of a human antibody with pan-coronavirus reactivity including SARS-CoV-2.
Nat Microbiol, 7, 2022
5VIF
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BU of 5vif by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
5VIE
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BU of 5vie by Molmil
Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase
Descriptor: 2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, 2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose, CKII, ...
Authors:Jiang, J, Li, B, Hu, C.-W, Worth, M, Fan, D, Li, H.
Deposit date:2017-04-15
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Electrophilic probes for deciphering substrate recognition by O-GlcNAc transferase.
Nat. Chem. Biol., 13, 2017
5VAG
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BU of 5vag by Molmil
Crystal structure of H7-specific antibody m826 in complex with the HA1 domain of hemagglutinin from H7N9 influenza virus
Descriptor: 1,2-ETHANEDIOL, Heavy chain of antibody m826, Hemagglutinin, ...
Authors:Song, H, Ying, T, Ji, X.
Deposit date:2017-03-26
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Potent Germline-like Human Monoclonal Antibody Targets a pH-Sensitive Epitope on H7N9 Influenza Hemagglutinin.
Cell Host Microbe, 22, 2017
5CMZ
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BU of 5cmz by Molmil
Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ...
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Method:X-RAY DIFFRACTION (2.574 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CN0
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BU of 5cn0 by Molmil
Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR
Descriptor: DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5CMU
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BU of 5cmu by Molmil
Artificial HIV fusion inhibitor AP1 fused to the C-terminus of gp41 NHR
Descriptor: Envelope glycoprotein,AP1, GLYCEROL
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2015-07-17
Release date:2015-09-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.113 Å)
Cite:Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
5H0N
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BU of 5h0n by Molmil
Crystal structure of HIV-1 fusion inhibitor MT-WQ-IDL bound to gp41 NHR
Descriptor: HIV-1 fusion inhibitor MT-WQ-IDL, HIV-1 gp41 NHR
Authors:Zhu, Y, Ye, S, Zhang, R.
Deposit date:2016-10-06
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Creating an Artificial Tail Anchor as a Novel Strategy To Enhance the Potency of Peptide-Based HIV Fusion Inhibitors
J. Virol., 91, 2017
5H3D
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BU of 5h3d by Molmil
Helical structure of membrane tubules decorated by ACAP1 (BARPH doamin) protein by cryo-electron microscopy and MD simulation
Descriptor: Arf-GAP with coiled-coil, ANK repeat and PH domain-containing protein 1
Authors:Chan, C, Pang, X.Y, Zhang, Y, Sun, F, Fan, J.
Deposit date:2016-10-22
Release date:2019-01-16
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (14 Å)
Cite:ACAP1 assembles into an unusual protein lattice for membrane deformation through multiple stages.
Plos Comput.Biol., 15, 2019
5Z8N
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BU of 5z8n by Molmil
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
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
5Z8L
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BU of 5z8l by Molmil
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
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
6A0A
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BU of 6a0a by Molmil
Structure of a triple-helix region of human collagen type III
Descriptor: collagen type III peptide
Authors:Yang, X, Zhu, Y, Ye, S, Zhang, R.
Deposit date:2018-06-05
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Characterization by high-resolution crystal structure analysis of a triple-helix region of human collagen type III with potent cell adhesion activity.
Biochem. Biophys. Res. Commun., 508, 2019
6A0C
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BU of 6a0c by Molmil
Structure of a triple-helix region of human collagen type III
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, collagen type III peptide
Authors:Yang, X, Zhu, Y, Ye, S, Zhang, R.
Deposit date:2018-06-05
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.501 Å)
Cite:Characterization by high-resolution crystal structure analysis of a triple-helix region of human collagen type III with potent cell adhesion activity.
Biochem. Biophys. Res. Commun., 508, 2019
7D0Q
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BU of 7d0q by Molmil
Crystal structure of human HBO1-BRPF2 in complex with butyryl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Butyryl Coenzyme A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0P
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BU of 7d0p by Molmil
Crystal structure of human HBO1-BRPF2 in complex with propionyl-coenzyme A
Descriptor: BRD1 protein, CHLORIDE ION, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0O
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BU of 7d0o by Molmil
Crystal structure of human HBO1-BRPF2 in apo form
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, Histone acetyltransferase KAT7, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0R
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BU of 7d0r by Molmil
Crystal structure of human HBO1-BRPF2 in complex with crotonoyl-coenzyme A
Descriptor: 1,2-ETHANEDIOL, BRD1 protein, CROTONYL COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7D0S
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BU of 7d0s by Molmil
Crystal structure of human HBO1-BRPF2 in complex with succinyl-coenzyme A
Descriptor: BRD1 protein, Histone acetyltransferase KAT7, SUCCINYL-COENZYME A, ...
Authors:Li, W, Ding, J.
Deposit date:2020-09-11
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:HBO1 is a versatile histone acyltransferase critical for promoter histone acylations.
Nucleic Acids Res., 49, 2021
7FET
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BU of 7fet by Molmil
SARS-CoV-2 B.1.1.7 Spike Glycoprotein trimer
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:Wen, Z.L, Zhu, Y, Sun, F.
Deposit date:2021-07-21
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
7FEM
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BU of 7fem by Molmil
SARS-CoV-2 B.1.1.7 S-ACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wen, Z.L, Zhu, Y, Sun, F.
Deposit date:2021-07-21
Release date:2021-12-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure-based evidence for the enhanced transmissibility of the dominant SARS-CoV-2 B.1.1.7 variant (Alpha).
Cell Discov, 7, 2021
8CGP
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BU of 8cgp by Molmil
Insulin regulated aminopeptidase (IRAP) in complex with an allosteric aryl sulfonamide inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mpakali, A, Stratikos, E, Giastas, P.
Deposit date:2023-02-06
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase.
J.Mol.Biol., 436, 2024
8CGW
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BU of 8cgw by Molmil
Insulin-regulated aminopeptidase (IRAP) in complex with an allosteric benzopyran-based inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Mpakali, A, Stratikos, E, Giastas, P.
Deposit date:2023-02-06
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Mechanisms of Allosteric Inhibition of Insulin-Regulated Aminopeptidase.
J.Mol.Biol., 436, 2024

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PDB entries from 2024-06-12

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